DrugBank ID	Drug Name	Target ID	Gene Symbol	UniProt ID	UniProt Entry	Regulation Type	PubMed IDs	Citations	Groups	Direct Classification	Detailed Classification	Categories	SMILES	PubChem ID	Pathways	Pathway Sources	KEGG Pathway IDs	DPD	PubChem Substance	KEGG Drug	PharmGKB	UniProtKB	TTD	Wikipedia	ChEMBL	RxCUI
DB00002	Cetuximab	BE0000767	EGFR	P00533	EGFR_HUMAN	binder	11752352; 15821783	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Harding J, Burtness B: Cetuximab: an epidermal growth factor receptor chemeric human-murine monoclonal antibody. Drugs Today (Barc). 2005 Feb;41(2):107-27. doi: 10.1358/dot.2005.41.2.882662."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins"			Cetuximab Action Pathway	drug_action		13175	46507042	D03455	PA10040		DNC000788	Cetuximab	CHEMBL1201577	318341
DB00004	Denileukin diftitox	BE0000658	IL2RA	P01589	IL2RA_HUMAN	binder	2786749; 3124610; 18684057; 17187516	"Kiyokawa T, Shirono K, Hattori T, Nishimura H, Yamaguchi K, Nichols JC, Strom TB, Murphy JR, Takatsuki K: Cytotoxicity of interleukin 2-toxin toward lymphocytes from patients with adult T-cell leukemia. Cancer Res. 1989 Jul 15;49(14):4042-6.@@Murphy JR, Kelley VE, Strom TB: Interleukin 2 toxin: a step toward selective immunomodulation. Am J Kidney Dis. 1988 Feb;11(2):159-62.@@Duvic M, Talpur R: Optimizing denileukin diftitox (Ontak) therapy. Future Oncol. 2008 Aug;4(4):457-69. doi: 10.2217/14796694.4.4.457.@@Turturro F: Denileukin diftitox: a biotherapeutic paradigm shift in the treatment of lymphoid-derived disorders. Expert Rev Anticancer Ther. 2007 Jan;7(1):11-7."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Enzymes and Coenzymes; Transferases; Amino Acids, Peptides, and Proteins; Immunotherapy; ADP Ribose Transferases; Toxins, Biological; Proteins; Antineoplastic Agents; Enzymes; Lymphokines; Biological Factors; Bacterial Toxins; Peptides; Pentosyltransferases; Cytokines; Glycosyltransferases; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; CD25-directed Cytotoxin; Narrow Therapeutic Index Drugs"							46506950		PA164750594	P00587	DAP001098	Denileukin_diftitox	CHEMBL1201550	214470
DB00004	Denileukin diftitox	BE0000651	IL2RB	P14784	IL2RB_HUMAN	agonist	15811959; 16516670; 18684057; 17187516; 11752352	"Foss F, Demierre MF, DiVenuti G: A phase-1 trial of bexarotene and denileukin diftitox in patients with relapsed or refractory cutaneous T-cell lymphoma. Blood. 2005 Jul 15;106(2):454-7. Epub 2005 Apr 5.@@Foss F: Clinical experience with denileukin diftitox (ONTAK). Semin Oncol. 2006 Feb;33(1 Suppl 3):S11-6.@@Duvic M, Talpur R: Optimizing denileukin diftitox (Ontak) therapy. Future Oncol. 2008 Aug;4(4):457-69. doi: 10.2217/14796694.4.4.457.@@Turturro F: Denileukin diftitox: a biotherapeutic paradigm shift in the treatment of lymphoid-derived disorders. Expert Rev Anticancer Ther. 2007 Jan;7(1):11-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Enzymes and Coenzymes; Transferases; Amino Acids, Peptides, and Proteins; Immunotherapy; ADP Ribose Transferases; Toxins, Biological; Proteins; Antineoplastic Agents; Enzymes; Lymphokines; Biological Factors; Bacterial Toxins; Peptides; Pentosyltransferases; Cytokines; Glycosyltransferases; Recombinant Proteins; Antineoplastic and Immunomodulating Agents; CD25-directed Cytotoxin; Narrow Therapeutic Index Drugs"							46506950		PA164750594	P00587	DAP001098	Denileukin_diftitox	CHEMBL1201550	214470
DB00007	Leuprolide	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist	16809153; 10687850; 9625809; 15758569; 10394541	"Castellon E, Clementi M, Hitschfeld C, Sanchez C, Benitez D, Saenz L, Contreras H, Huidobro C: Effect of leuprolide and cetrorelix on cell growth, apoptosis, and GnRH receptor expression in primary cell cultures from human prostate carcinoma. Cancer Invest. 2006 Apr-May;24(3):261-8.@@Borroni R, Di Blasio AM, Gaffuri B, Santorsola R, Busacca M, Vigano P, Vignali M: Expression of GnRH receptor gene in human ectopic endometrial cells and inhibition of their proliferation by leuprolide acetate. Mol Cell Endocrinol. 2000 Jan 25;159(1-2):37-43.@@Imai A, Takagi A, Horibe S, Takagi H, Tamaya T: Fas and Fas ligand system may mediate antiproliferative activity of gonadotropin-releasing hormone receptor in endometrial cancer cells. Int J Oncol. 1998 Jul;13(1):97-100.@@Murase M, Uemura T, Gao M, Inada M, Funabashi T, Hirahara F: GnRH antagonist-induced down-regulation of the mRNA expression of pituitary receptors: comparisons with GnRH agonist effects. Endocr J. 2005 Feb;52(1):131-7.@@Khurana KK, Singh SB, Tatum AH, Schulz V, Badawy SZ: Maintenance of increased Bcl-2 expression in uterine leiomyomas after GnRH agonist therapy. J Reprod Med. 1999 Jun;44(6):487-92."	Approved; Investigational			"Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Gonadotropins; Photosensitizing Agents; Proteins; Drugs that are Mainly Renally Excreted; Fertility Agents; Antineoplastic Agents; Agents Causing Muscle Toxicity; Adrenal Cortex Hormones; Oligopeptides; Drugs causing inadvertant photosensitivity; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Reproductive Control Agents"	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1					23683	46507635	D08113	PA450203		DAP000020	Leuprorelin	CHEMBL1201199	42375
DB00008	Peginterferon alfa-2a	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	15898717; 16953837; 19955815; 11752352	"Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drug Carriers; Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Glycols; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Polymers; Narrow Therapeutic Index Drugs; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"						13246	46504860		PA164749390	P01563	DAP001278	Peginterferon_alfa-2a	CHEMBL1201560	120608
DB00009	Alteplase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	18673235; 17963464; 22248305	"Longstaff C, Williams S, Thelwell C: Fibrin binding and the regulation of plasminogen activators during thrombolytic therapy. Cardiovasc Hematol Agents Med Chem. 2008 Jul;6(3):212-23.@@Hilleman DE, Tsikouris JP, Seals AA, Marmur JD: Fibrinolytic agents for the management of ST-segment elevation myocardial infarction. Pharmacotherapy. 2007 Nov;27(11):1558-70.@@Acheampong P, Ford GA: Pharmacokinetics of alteplase in the treatment of ischaemic stroke. Expert Opin Drug Metab Toxicol. 2012 Feb;8(2):271-81. doi: 10.1517/17425255.2012.652615. Epub 2012 Jan 17."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Tissue Plasminogen Activator, antagonists & inhibitors; Enzymes; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Ophthalmologicals; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents; Sensory Organs"			Alteplase Action Pathway	drug_action		7297	46507035	D02837	PA164776730	P00750	DAP000203	Alteplase	CHEMBL1201593	8410
DB00011	Interferon alfa-n1	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	17139284; 17016423; 10822464; 19955815; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Krown SE: Interferon treatment of renal cell carcinoma. Current status and future prospects. Cancer. 1987 Feb 1;59(3 Suppl):647-51.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Antiviral Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Adjuvants, Immunologic; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"						7651	46506227		PA164746538	P01563	DAP001280		CHEMBL2108509	202912
DB00013	Urokinase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	12658774; 12666133; 12719778; 12720300; 12745435; 11752352	"Zhang X, Zhou H, Shen G, Liu Z, Hu Y, Wei W, Song S: Study on the mechanism of the annexin II-mediated co-assembly of t-PA and plasminogen. J Huazhong Univ Sci Technolog Med Sci. 2002;22(1):21-3, 76.@@Lopez-Alemany R, Longstaff C, Hawley S, Mirshahi M, Fabregas P, Jardi M, Merton E, Miles LA, Felez J: Inhibition of cell surface mediated plasminogen activation by a monoclonal antibody against alpha-Enolase. Am J Hematol. 2003 Apr;72(4):234-42.@@Hashimoto M, Oiwa K, Matsuo O, Ueshima S, Okada K, Okada Y, Okamoto S, Giddings JC, Yamamoto J: Suppression of argatroban-induced endogenous thrombolysis by PKSI-527, and antibodies to TPA and UPA, evaluated in a rat arterial thrombolysis model. Thromb Haemost. 2003 May;89(5):820-5.@@Guda K, Claffey KP, Dong M, Nambiar PR, Rosenberg DW: Defective processing of the transforming growth factor-beta1 in azoxymethane-induced mouse colon tumors. Mol Carcinog. 2003 May;37(1):51-9.@@Chang H, Shyu KG, Lin S, Wang BW, Liu YC, Lee CC: Cell adhesion induces the plasminogen activator inhibitor-1 gene expression through phosphatidylinositol 3-kinase/Akt activation in anchorage dependent cells. Cell Commun Adhes. 2002 Sep-Dec;9(5-6):239-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases"			Urokinase Action Pathway	drug_action		2012	46506299		PA451836	P00749	DAP001194	Urokinase	CHEMBL1201420	11055
DB00013	Urokinase	BE0000942	LRP2	P98164	LRP2_HUMAN	substrate	17139284; 17016423; 8241286; 1280065; 7959795	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kanalas JJ: Effect of the nephritogenic autoantibody of Heymann's nephritis on plasminogen-binding to gp330 and activation by urokinase. Biochim Biophys Acta. 1993 Nov 25;1225(1):101-6.@@Kanalas JJ: Analysis of plasmin binding and urokinase activation of plasminogen bound to the Heymann nephritis autoantigen, gp330. Arch Biochem Biophys. 1992 Dec;299(2):255-60.@@Korenberg JR, Argraves KM, Chen XN, Tran H, Strickland DK, Argraves WS: Chromosomal localization of human genes for the LDL receptor family member glycoprotein 330 (LRP2) and its associated protein RAP (LRPAP1). Genomics. 1994 Jul 1;22(1):88-93."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases"			Urokinase Action Pathway	drug_action		2012	46506299		PA451836	P00749	DAP001194	Urokinase	CHEMBL1201420	11055
DB00013	Urokinase	BE0001656	ST14	Q9Y5Y6	ST14_HUMAN	substrate	14747469; 12815039	"Suzuki M, Kobayashi H, Kanayama N, Saga Y, Suzuki M, Lin CY, Dickson RB, Terao T: Inhibition of tumor invasion by genomic down-regulation of matriptase through suppression of activation of receptor-bound pro-urokinase. J Biol Chem. 2004 Apr 9;279(15):14899-908. Epub 2004 Jan 27.@@Kirchhofer D, Peek M, Li W, Stamos J, Eigenbrot C, Kadkhodayan S, Elliott JM, Corpuz RT, Lazarus RA, Moran P: Tissue expression, protease specificity, and Kunitz domain functions of hepatocyte growth factor activator inhibitor-1B (HAI-1B), a new splice variant of HAI-1. J Biol Chem. 2003 Sep 19;278(38):36341-9. Epub 2003 Jun 18."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases"			Urokinase Action Pathway	drug_action		2012	46506299		PA451836	P00749	DAP001194	Urokinase	CHEMBL1201420	11055
DB00013	Urokinase	BE0002113	NID1	P14543	NID1_HUMAN	ligand	17139284; 17016423; 1499567	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stephens RW, Aumailley M, Timpl R, Reisberg T, Tapiovaara H, Myohanen H, Murphy-Ullrich J, Vaheri A: Urokinase binding to laminin-nidogen. Structural requirements and interactions with heparin. Eur J Biochem. 1992 Aug 1;207(3):937-42."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Increased Thrombolysis; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Blood Proteins; Endopeptidases"			Urokinase Action Pathway	drug_action		2012	46506299		PA451836	P00749	DAP001194	Urokinase	CHEMBL1201420	11055
DB00014	Goserelin	BE0000134	LHCGR	P22888	LSHR_HUMAN	agonist	17139284; 17016423; 20053189	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x."	Approved	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Hormones; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O					11167	46507336	D00573	PA164747674		DAP000023	Goserelin	CHEMBL1201247	50610
DB00014	Goserelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist	20053189	"Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x."	Approved	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Hormones; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Moderate Risk QTc-Prolonging Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O					11167	46507336	D00573	PA164747674		DAP000023	Goserelin	CHEMBL1201247	50610
DB00015	Reteplase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	17963464; 18673235; 19436656; 11752352	"Hilleman DE, Tsikouris JP, Seals AA, Marmur JD: Fibrinolytic agents for the management of ST-segment elevation myocardial infarction. Pharmacotherapy. 2007 Nov;27(11):1558-70.@@Longstaff C, Williams S, Thelwell C: Fibrin binding and the regulation of plasminogen activators during thrombolytic therapy. Cardiovasc Hematol Agents Med Chem. 2008 Jul;6(3):212-23.@@Melandri G, Vagnarelli F, Calabrese D, Semprini F, Nanni S, Branzi A: Review of tenecteplase (TNKase) in the treatment of acute myocardial infarction. Vasc Health Risk Manag. 2009;5(1):249-56. Epub 2009 Apr 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Reteplase Action Pathway	drug_action		11534	46506092		PA164743728	P00750	DAP001195	Reteplase	CHEMBL2107885	76895
DB00017	Salmon calcitonin	BE0000431	CALCR	P30988	CALCR_HUMAN	agonist	3004987; 7610922; 9231703; 11752352	"Bouizar Z, Fouchereau-Peron M, Taboulet J, Moukhtar MS, Milhaud G: Purification and characterization of calcitonin receptors in rat kidney membranes by covalent cross-linking techniques. Eur J Biochem. 1986 Feb 17;155(1):141-7.@@Stroop SD, Moore EE: Intracellular calcium increases mediated by a recombinant human calcitonin receptor. J Bone Miner Res. 1995 Apr;10(4):524-32.@@Sarkar A, Dickerson IM: Cloning, characterization, and expression of a calcitonin receptor from guinea pig brain. J Neurochem. 1997 Aug;69(2):455-64.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Parathyroid and Antiparathyroid Agents; Amino Acids, Peptides, and Proteins; Bone Density, drug effects; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Proteins; Drugs that are Mainly Renally Excreted; Hormones; Thyroid Products; Calcium-Regulating Hormones and Agents; Neuropeptides; Peptides; Calcium Homeostasis; Peptide Hormones; Calcitonin Preparations; Parathyroid Hormones and Analogues; Bone Density Conservation Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"						13186	46506061	D00249	PA448715	P01263	DAP001302	Calcitonin		36118
DB00018	Interferon alfa-n3	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	17139284; 17016423; 15898717; 19955815; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunosuppressive Agents; Myelosuppressive Agents; Interferon alpha; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"							46508902		PA164746228		DAP001281	Interferon_alpha-n3	CHEMBL2109047	612937
DB00020	Sargramostim	BE0000628	CSF2RA	P15509	CSF2R_HUMAN	agonist	17090651; 16760463; 17522711; 16638185; 11752352	"Wang Y, Cai D, Brendel C, Barett C, Erben P, Manley PW, Hochhaus A, Neubauer A, Burchert A: Adaptive secretion of granulocyte-macrophage colony-stimulating factor (GM-CSF) mediates imatinib and nilotinib resistance in BCR/ABL+ progenitors via JAK-2/STAT-5 pathway activation. Blood. 2007 Mar 1;109(5):2147-55. Epub 2006 Nov 7.@@Chen J, Carcamo JM, Golde DW: The alpha subunit of the granulocyte-macrophage colony-stimulating factor receptor interacts with c-Kit and inhibits c-Kit signaling. J Biol Chem. 2006 Aug 4;281(31):22421-6. Epub 2006 Jun 7.@@Lencz T, Morgan TV, Athanasiou M, Dain B, Reed CR, Kane JM, Kucherlapati R, Malhotra AK: Converging evidence for a pseudoautosomal cytokine receptor gene locus in schizophrenia. Mol Psychiatry. 2007 Jun;12(6):572-80. Epub 2007 Mar 20.@@Xiao R, Zhang R, Wang YL, Zhu ZL, Chen T, Yang JH: [Expression of soluble GM-CSF-Ralpha in patients with acute myeloid leukemia]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2006 Apr;14(2):225-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins"							46507000		PA164748631	P04141	DAP001053	Sargramostim	CHEMBL1201670	69634
DB00020	Sargramostim	BE0001036	IL3RA	P26951	IL3RA_HUMAN	agonist	17562355; 17500228; 16698686; 17522711	"Eksioglu EA, Mahmood SS, Chang M, Reddy V: GM-CSF promotes differentiation of human dendritic cells and T lymphocytes toward a predominantly type 1 proinflammatory response. Exp Hematol. 2007 Aug;35(8):1163-71. Epub 2007 Jun 11.@@Sakhno LV, Leplina OIu, Tikhonova MA, Raspai ZhM, Gileva IP, Nikonov SD, Zhdanov OA, Ostanin AA, Chernykh ER: [Characteristics of A-interferon-generated dendritic cells in patients with pulmonary tuberculosis]. Probl Tuberk Bolezn Legk. 2007;(3):42-6.@@Ward KA, Stewart LA, Schwarer AP: CD34+-derived CD11c+ + + BDCA-1+ + CD123+ + DC: expansion of a phenotypically undescribed myeloid DC1 population for use in adoptive immunotherapy. Cytotherapy. 2006;8(2):130-40.@@Lencz T, Morgan TV, Athanasiou M, Dain B, Reed CR, Kane JM, Kucherlapati R, Malhotra AK: Converging evidence for a pseudoautosomal cytokine receptor gene locus in schizophrenia. Mol Psychiatry. 2007 Jun;12(6):572-80. Epub 2007 Mar 20."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins"							46507000		PA164748631	P04141	DAP001053	Sargramostim	CHEMBL1201670	69634
DB00020	Sargramostim	BE0002115	CSF2RB	P32927	IL3RB_HUMAN	agonist	17139284; 17016423; 1424804	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shen Y, Baker E, Callen DF, Sutherland GR, Willson TA, Rakar S, Gough NM: Localization of the human GM-CSF receptor beta chain gene (CSF2RB) to chromosome 22q12.2-->q13.1. Cytogenet Cell Genet. 1992;61(3):175-7."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins"							46507000		PA164748631	P04141	DAP001053	Sargramostim	CHEMBL1201670	69634
DB00020	Sargramostim	BE0002116	SDC2	P34741	SDC2_HUMAN	agonist	17139284; 17016423; 10734053	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Modrowski D, Basle M, Lomri A, Marie PJ: Syndecan-2 is involved in the mitogenic activity and signaling of granulocyte-macrophage colony-stimulating factor in osteoblasts. J Biol Chem. 2000 Mar 31;275(13):9178-85."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Granulocyte-Macrophage Colony-Stimulating Factor; Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Carbohydrates; Peptides; Adjuvants, Immunologic; Increased Myeloid Cell Production; Cytokines; Leukocyte Growth Factor; Glycoconjugates; Proteins; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins"							46507000		PA164748631	P04141	DAP001053	Sargramostim	CHEMBL1201670	69634
DB00022	Peginterferon alfa-2b	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	17139284; 17016423; 15898717; 19955815; 16953837; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Ishii K, Shinohara M, Sawa M, Kogame M, Higami K, Sano M, Morita T, Sumino Y: Interferon alpha receptor 2 expression by peripheral blood monocytes in patients with a high viral load of hepatitis C virus genotype 1 showing substitution of amino Acid 70 in the core region. Intervirology. 2010;53(2):105-10. doi: 10.1159/000264200. Epub 2009 Dec 3.@@Yano H, Ogasawara S, Momosaki S, Akiba J, Kojiro S, Fukahori S, Ishizaki H, Kuratomi K, Basaki Y, Oie S, Kuwano M, Kojiro M: Growth inhibitory effects of pegylated IFN alpha-2b on human liver cancer cells in vitro and in vivo. Liver Int. 2006 Oct;26(8):964-75.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drug Carriers; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 CYP2D6 Inhibitors (weak); Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Glycols; Cytochrome P-450 Enzyme Inhibitors; Alcohols; Cytochrome P-450 CYP1A2 Inhibitors; Macromolecular Substances; Proteins; Treatments for Hepatitis C; Interferons; Biological Factors; Hepatitis C; Peptides; Cytokines; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP2C9 Inducers (weak); Polymers; Cytochrome P-450 CYP2C9 Inducers; Ethylene Glycols; Pegylated agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"						12036	46506669		PA164784024	P01563	DAP001279	Peginterferon_alfa-2b	CHEMBL1201561	253453
DB00024	Thyrotropin alfa	BE0000490	TSHR	P16473	TSHR_HUMAN	agonist	15571461; 9039330; 11752352	"Szkudlinski MW: Recombinant human thyrotropins of the twenty-first century. Expert Opin Pharmacother. 2004 Dec;5(12):2435-40.@@Conway GS: Clinical manifestations of genetic defects affecting gonadotrophins and their receptors. Clin Endocrinol (Oxf). 1996 Dec;45(6):657-63.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Thyroid Products; Agents used to treat hypothyroidism; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						12790	46505696		PA164746560	P01225	DAP001248	Thyroid-stimulating_hormone	CHEMBL1201533	4952
DB00025	"Antihemophilic factor, human recombinant"	BE0000364	F9	P00740	FA9_HUMAN	cofactor	1119107; 2994716; 14240634; 932529; 6422634	"Hule V: [Factor IX inhibitor (antihemophilic factor B, PTC) in a woman]. Vnitr Lek. 1975 Mar;21(3):274-7.@@Yoshitake S, Schach BG, Foster DC, Davie EW, Kurachi K: Nucleotide sequence of the gene for human factor IX (antihemophilic factor B). Biochemistry. 1985 Jul 2;24(14):3736-50.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF ANTIHEMOPHILIC FACTOR (FACTOR 8) BY ACTIVATED CHRISTMAS FACTOR (ACTIVATED FACTOR9 9). Biochemistry. 1964 Nov;3:1720-5.@@Hoofnagle JH, Gerety RJ, Thiel J, Barker LF: The prevalence of hepatitis B surface antigen in commercially prepared plasma products. J Lab Clin Med. 1976 Jul;88(1):102-13.@@Prince AM, Horowitz B, Brotman B, Huima T, Richardson L, van den Ende MC: Inactivation of hepatitis B and Hutchinson strain non-A, non-B hepatitis viruses by exposure to Tween 80 and ether. Vox Sang. 1984;46(1):36-43."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins"						22826	46506209		PA164750168	P00451		Antihemophilic_Factor	CHEMBL2108175	1300486
DB00025	"Antihemophilic factor, human recombinant"	BE0001043	VWF	P04275	VWF_HUMAN	binder	10938981; 11858481; 14750934; 2128855; 2942172	"Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins"						22826	46506209		PA164750168	P00451		Antihemophilic_Factor	CHEMBL2108175	1300486
DB00025	"Antihemophilic factor, human recombinant"	BE0002117	PHYH	O14832	PAHX_HUMAN	antagonist	11574539	"Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins"						22826	46506209		PA164750168	P00451		Antihemophilic_Factor	CHEMBL2108175	1300486
DB00025	"Antihemophilic factor, human recombinant"	BE0002110	LRP1	Q07954	LRP1_HUMAN	modulator	21391865	"Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins"						22826	46506209		PA164750168	P00451		Antihemophilic_Factor	CHEMBL2108175	1300486
DB00025	"Antihemophilic factor, human recombinant"	BE0002120	MCFD2	Q8NI22	MCFD2_HUMAN	modulator	15886209	"Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Carbohydrates; Hemostatics; Oligosaccharides; Polysaccharides; Disaccharides; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Proteins; Amino Acids, Peptides, and Proteins"						22826	46506209		PA164750168	P00451		Antihemophilic_Factor	CHEMBL2108175	1300486
DB00026	Anakinra	BE0000565	IL1R1	P14778	IL1R1_HUMAN	antagonist	17498496; 12817089; 12355453; 17083033; 11752352; 17352828; 10210771	"Tang YH, Zhang SP, Liang Y, Deng CQ: [Effects of Panax notoginseng saponins on mRNA expressions of interleukin-1 beta, its correlative factors and cysteinyl-aspartate specific protease after cerebral ischemia-reperfusion in rats]. Zhong Xi Yi Jie He Xue Bao. 2007 May;5(3):328-32.@@Dayer JM: The pivotal role of interleukin-1 in the clinical manifestations of rheumatoid arthritis. Rheumatology (Oxford). 2003 May;42 Suppl 2:ii3-10.@@Vamvakopoulos J, Green C, Metcalfe S: Genetic control of IL-1beta bioactivity through differential regulation of the IL-1 receptor antagonist. Eur J Immunol. 2002 Oct;32(10):2988-96.@@Do H, Vasilescu A, Carpentier W, Meyer L, Diop G, Hirtzig T, Coulonges C, Labib T, Spadoni JL, Therwath A, Lathrop M, Matsuda F, Zagury JF: Exhaustive genotyping of the interleukin-1 family genes and associations with AIDS progression in a French cohort. J Infect Dis. 2006 Dec 1;194(11):1492-504. Epub 2006 Oct 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@So A, De Smedt T, Revaz S, Tschopp J: A pilot study of IL-1 inhibition by anakinra in acute gout. Arthritis Res Ther. 2007;9(2):R28.@@Vannier E, Kaser A, Atkins MB, Fantuzzi G, Dinarello CA, Mier JW, Tilg H: Elevated circulating levels of soluble interleukin-1 receptor type II during interleukin-2 immunotherapy. Eur Cytokine Netw. 1999 Mar;10(1):37-42."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunotherapy; Biological Factors; Intercellular Signaling Peptides and Proteins; Biologics for Rheumatoid Arthritis Treatment; Interleukin-1 Receptor Antagonist; Peptides; Proteins; Cytokines; Antirheumatic Agents; Agents reducing cytokine levels; Disease-modifying Antirheumatic Agents; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"						12604	46507944	D02934	PA10799	P18510	DAP000095	Anakinra	CHEMBL1201570	72435
DB00028	Human immunoglobulin G	BE0003455	C3	P01024	CO3_HUMAN	binder	20441428; 17351760; 17911465	"Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11.@@Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						22953	46508774		PA164754884	P01877				1426680
DB00028	Human immunoglobulin G	BE0000855	C5	P01031	CO5_HUMAN	binder	20441428; 17351760; 17911465	"Baerenwaldt A, Biburger M, Nimmerjahn F: Mechanisms of action of intravenous immunoglobulins. Expert Rev Clin Immunol. 2010 May;6(3):425-34. doi: 10.1586/eci.10.9.@@Negi VS, Elluru S, Siberil S, Graff-Dubois S, Mouthon L, Kazatchkine MD, Lacroix-Desmazes S, Bayry J, Kaveri SV: Intravenous immunoglobulin: an update on the clinical use and mechanisms of action. J Clin Immunol. 2007 May;27(3):233-45. Epub 2007 Mar 11.@@Siberil S, Elluru S, Graff-Dubois S, Negi VS, Delignat S, Mouthon L, Lacroix-Desmazes S, Kazatchkine MD, Bayry J, Kaveri SV: Intravenous immunoglobulins in autoimmune and inflammatory diseases: a mechanistic perspective. Ann N Y Acad Sci. 2007 Sep;1110:497-506."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulin Isotypes; Immunoglobulins; Serum; Passively Acquired Immunity; Serum Globulins; Immunologic Factors; Immunoproteins; Antigen Neutralization; Immunoglobulin G; Human Immunoglobulin G; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						22953	46508774		PA164754884	P01877				1426680
DB00029	Anistreplase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	18673235; 19436656; 17963464; 11752352	"Longstaff C, Williams S, Thelwell C: Fibrin binding and the regulation of plasminogen activators during thrombolytic therapy. Cardiovasc Hematol Agents Med Chem. 2008 Jul;6(3):212-23.@@Melandri G, Vagnarelli F, Calabrese D, Semprini F, Nanni S, Branzi A: Review of tenecteplase (TNKase) in the treatment of acute myocardial infarction. Vasc Health Risk Manag. 2009;5(1):249-56. Epub 2009 Apr 8.@@Hilleman DE, Tsikouris JP, Seals AA, Marmur JD: Fibrinolytic agents for the management of ST-segment elevation myocardial infarction. Pharmacotherapy. 2007 Nov;27(11):1558-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Anistreplase Action Pathway	drug_action		1199	46504487		PA164769075	P00750	DAP001197	Anistreplase	CHEMBL2108250	40028
DB00030	Insulin human	BE0000033	INSR	P06213	INSR_HUMAN	agonist	12970169; 12038982; 17722952; 19683471; 20230616; 11752352; 27512793	"Desbuquois B, Chauvet G, Kouach M, Authier F: Cell itinerary and metabolic fate of proinsulin in rat liver: in vivo and in vitro studies. Endocrinology. 2003 Dec;144(12):5308-21. Epub 2003 Sep 11.@@Chen LM, Yang XW, Tang JG: Acidic residues on the N-terminus of proinsulin C-Peptide are important for the folding of insulin precursor. J Biochem. 2002 Jun;131(6):855-9.@@Bell DS: Insulin therapy in diabetes mellitus: how can the currently available injectable insulins be most prudently and efficaciously utilised? Drugs. 2007;67(13):1813-27.@@Tanti JF, Jager J: Cellular mechanisms of insulin resistance: role of stress-regulated serine kinases and insulin receptor substrates (IRS) serine phosphorylation. Curr Opin Pharmacol. 2009 Dec;9(6):753-62. doi: 10.1016/j.coph.2009.07.004. Epub  2009 Aug 13.@@Chiu SL, Cline HT: Insulin receptor signaling in the development of neuronal structure and function. Neural Dev. 2010 Mar 15;5:7. doi: 10.1186/1749-8104-5-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46506231	D03230	PA164744571	Q8HXV2	DAP000802	Insulin		253182
DB00030	Insulin human	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	19145584; 21219237; 22420005; 31771180; 25905175	"Weinstein D, Simon M, Yehezkel E, Laron Z, Werner H: Insulin analogues display IGF-I-like mitogenic and anti-apoptotic activities in cultured cancer cells. Diabetes Metab Res Rev. 2009 Jan;25(1):41-9. doi: 10.1002/dmrr.912.@@Werner H, Weinstein D, Yehezkel E, Laron Z: Controversies in the use of insulin analogues. Expert Opin Biol Ther. 2011 Feb;11(2):199-209. doi: 10.1517/14712598.2011.540233.@@Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46506231	D03230	PA164744571	Q8HXV2	DAP000802	Insulin		253182
DB00030	Insulin human	BE0001123	CPE	P16870	CBPE_HUMAN	modulator	24843127	"Liew CW, Assmann A, Templin AT, Raum JC, Lipson KL, Rajan S, Qiang G, Hu J, Kawamori D, Lindberg I, Philipson LH, Sonenberg N, Goldfine AB, Stoffers DA, Mirmira RG, Urano F, Kulkarni RN: Insulin regulates carboxypeptidase E by modulating translation initiation scaffolding protein eIF4G1 in pancreatic beta cells. Proc Natl Acad Sci U S A. 2014 Jun 3;111(22):E2319-28. doi: 10.1073/pnas.1323066111. Epub 2014 May 19."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46506231	D03230	PA164744571	Q8HXV2	DAP000802	Insulin		253182
DB00030	Insulin human	BE0000942	LRP2	P98164	LRP2_HUMAN	substrate	9773776	"Orlando RA, Rader K, Authier F, Yamazaki H, Posner BI, Bergeron JJ, Farquhar MG: Megalin is an endocytic receptor for insulin. J Am Soc Nephrol. 1998 Oct;9(10):1759-66."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46506231	D03230	PA164744571	Q8HXV2	DAP000802	Insulin		253182
DB00030	Insulin human	BE0002126	IGFBP7	Q16270	IBP7_HUMAN	inhibitor	17475416	"Radulescu RT: One for all and all for one: RB defends the cell while IDE, PTEN and IGFBP-7 antagonize insulin and IGFs to protect RB. Med Hypotheses. 2007;69(5):1018-20. Epub 2007 May 1."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Insulin, metabolism; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46506231	D03230	PA164744571	Q8HXV2	DAP000802	Insulin		253182
DB00031	Tenecteplase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	18673235; 19436656; 17963464; 11752352	"Longstaff C, Williams S, Thelwell C: Fibrin binding and the regulation of plasminogen activators during thrombolytic therapy. Cardiovasc Hematol Agents Med Chem. 2008 Jul;6(3):212-23.@@Melandri G, Vagnarelli F, Calabrese D, Semprini F, Nanni S, Branzi A: Review of tenecteplase (TNKase) in the treatment of acute myocardial infarction. Vasc Health Risk Manag. 2009;5(1):249-56. Epub 2009 Apr 8.@@Hilleman DE, Tsikouris JP, Seals AA, Marmur JD: Fibrinolytic agents for the management of ST-segment elevation myocardial infarction. Pharmacotherapy. 2007 Nov;27(11):1558-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Tenecteplase Action Pathway	drug_action		12468	46508657	D06070	PA164776757	P00750	DAP000204	Tenecteplase	CHEMBL2108791	259280
DB00031	Tenecteplase	BE0002104	CLEC3B	P05452	TETN_HUMAN		12694198; 9034981; 17853709	"Westergaard UB, Andersen MH, Heegaard CW, Fedosov SN, Petersen TE: Tetranectin binds hepatocyte growth factor and tissue-type plasminogen activator. Eur J Biochem. 2003 Apr;270(8):1850-4.@@Kamper EF, Kopeikina LT, Koutsoukos V, Stavridis J: Plasma tetranectin levels and disease activity in patients with rheumatoid arthritis. J Rheumatol. 1997 Feb;24(2):262-8.@@Vuckovic B, Deric M: [Lipoprotein(a): a link between thrombogenesis and atherogenesis]. Med Pregl. 2007 Jan-Feb;60(1-2):37-41."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Tenecteplase Action Pathway	drug_action		12468	46508657	D06070	PA164776757	P00750	DAP000204	Tenecteplase	CHEMBL2108791	259280
DB00031	Tenecteplase	BE0002105	KRT8	P05787	K2C8_HUMAN		9988531; 8760360; 8810346	"Kralovich KR, Li L, Hembrough TA, Webb DJ, Karns LR, Gonias SL: Characterization of the binding sites for plasminogen and tissue-type plasminogen activator in cytokeratin 8 and cytokeratin 18. J Protein Chem. 1998 Nov;17(8):845-54.@@Hembrough TA, Kralovich KR, Li L, Gonias SL: Cytokeratin 8 released by breast carcinoma cells in vitro binds plasminogen and tissue-type plasminogen activator and promotes plasminogen activation. Biochem J. 1996 Aug 1;317 ( Pt 3):763-9.@@Hembrough TA, Li L, Gonias SL: Cell-surface cytokeratin 8 is the major plasminogen receptor on breast cancer cells and is required for the accelerated activation of cell-associated plasminogen by tissue-type plasminogen activator. J Biol Chem. 1996 Oct 11;271(41):25684-91."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Tenecteplase Action Pathway	drug_action		12468	46508657	D06070	PA164776757	P00750	DAP000204	Tenecteplase	CHEMBL2108791	259280
DB00031	Tenecteplase	BE0001170	ANXA2	P07355	ANXA2_HUMAN		15194650; 10578524; 12730231	"Diaz VM, Hurtado M, Thomson TM, Reventos J, Paciucci R: Specific interaction of tissue-type plasminogen activator (t-PA) with annexin II on the membrane of pancreatic cancer cells activates plasminogen and promotes invasion in vitro. Gut. 2004 Jul;53(7):993-1000.@@Kang HM, Choi KS, Kassam G, Fitzpatrick SL, Kwon M, Waisman DM: Role of annexin II tetramer in plasminogen activation. Trends Cardiovasc Med. 1999 Apr-May;9(3-4):92-102.@@MacLeod TJ, Kwon M, Filipenko NR, Waisman DM: Phospholipid-associated annexin A2-S100A10 heterotetramer and its subunits: characterization of the interaction with tissue plasminogen activator, plasminogen, and plasmin. J Biol Chem. 2003 Jul 11;278(28):25577-84. Epub 2003 Apr 30."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Tenecteplase Action Pathway	drug_action		12468	46508657	D06070	PA164776757	P00750	DAP000204	Tenecteplase	CHEMBL2108791	259280
DB00031	Tenecteplase	BE0002110	LRP1	Q07954	LRP1_HUMAN		8344937; 1378833; 16303771	"Moestrup SK, Nielsen S, Andreasen P, Jorgensen KE, Nykjaer A, Roigaard H, Gliemann J, Christensen EI: Epithelial glycoprotein-330 mediates endocytosis of plasminogen activator-plasminogen activator inhibitor type-1 complexes. J Biol Chem. 1993 Aug 5;268(22):16564-70.@@Nykjaer A, Petersen CM, Moller B, Jensen PH, Moestrup SK, Holtet TL, Etzerodt M, Thogersen HC, Munch M, Andreasen PA, et al.: Purified alpha 2-macroglobulin receptor/LDL receptor-related protein binds urokinase.plasminogen activator inhibitor type-1 complex. Evidence that the alpha 2-macroglobulin receptor mediates cellular degradation of urokinase receptor-bound complexes. J Biol Chem. 1992 Jul 25;267(21):14543-6.@@Hu K, Yang J, Tanaka S, Gonias SL, Mars WM, Liu Y: Tissue-type plasminogen activator acts as a cytokine that triggers intracellular signal transduction and induces matrix metalloproteinase-9 gene expression. J Biol Chem. 2006 Jan 27;281(4):2120-7. Epub 2005 Nov 22."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Serine Proteases; Fibrinolytic Agents; Tissue Plasminogen Activator; Peptide Hydrolases; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Tenecteplase Action Pathway	drug_action		12468	46508657	D06070	PA164776757	P00750	DAP000204	Tenecteplase	CHEMBL2108791	259280
DB00032	Menotropins	BE0000387	FSHR	P23945	FSHR_HUMAN	binder	17139284; 17016423; 14680547; 7872378; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@van de Weijer BH, Mulders JW, Bos ES, Verhaert PD, van den Hooven HW: Compositional analyses of a human menopausal gonadotrophin preparation extracted from urine (menotropin). Identification of some of its major impurities. Reprod Biomed Online. 2003 Nov;7(5):547-57.@@Olive DL: The role of gonadotropins in ovulation induction. Am J Obstet Gynecol. 1995 Feb;172(2 Pt 2):759-65.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Reproductive Control Agents; Biological Products; Fertility Agents, Female; Peptide Hormones; Complex Mixtures; Gonadotropins; Peptides; Gonadotropins and Antigonadotropins; Hormones; Genito Urinary System and Sex Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Sex Hormones and Modulators of the Genital System; Amino Acids, Peptides, and Proteins; Fertility Agents; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists"						7369	46504503		PA164749406	P01229	DAP001027	Menotropin	CHEMBL2108427	
DB00032	Menotropins	BE0000134	LHCGR	P22888	LSHR_HUMAN		17139284; 17016423; 14680547; 7872378	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@van de Weijer BH, Mulders JW, Bos ES, Verhaert PD, van den Hooven HW: Compositional analyses of a human menopausal gonadotrophin preparation extracted from urine (menotropin). Identification of some of its major impurities. Reprod Biomed Online. 2003 Nov;7(5):547-57.@@Olive DL: The role of gonadotropins in ovulation induction. Am J Obstet Gynecol. 1995 Feb;172(2 Pt 2):759-65."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Reproductive Control Agents; Biological Products; Fertility Agents, Female; Peptide Hormones; Complex Mixtures; Gonadotropins; Peptides; Gonadotropins and Antigonadotropins; Hormones; Genito Urinary System and Sex Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Sex Hormones and Modulators of the Genital System; Amino Acids, Peptides, and Proteins; Fertility Agents; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists"						7369	46504503		PA164749406	P01229	DAP001027	Menotropin	CHEMBL2108427	
DB00033	Interferon gamma-1b	BE0000467	IFNGR2	P38484	INGR2_HUMAN	binder	17239631; 17618444; 11752352	"Park-Min KH, Serbina NV, Yang W, Ma X, Krystal G, Neel BG, Nutt SL, Hu X, Ivashkiv LB: FcgammaRIII-dependent inhibition of interferon-gamma responses mediates suppressive effects of intravenous immune globulin. Immunity. 2007 Jan;26(1):67-78.@@Yao X, Chen ZQ, Gong JQ, Chen M, Li AS, Liu J: The interferon-gamma receptor gene polymorphisms (Val14Met and Gln64Arg) are not associated with systemic lupus erythematosus in Chinese patients. Arch Dermatol Res. 2007 Oct;299(8):367-71. Epub 2007 Jul 6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Macrophage-Activating Factors; Immunosuppressive Agents; Lymphokines; Myelosuppressive Agents; Interferon gamma; Biological Factors; Intercellular Signaling Peptides and Proteins; Cytochrome P-450 Enzyme Inhibitors; Peptides; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"							46507194		PA164746386	P01579	DAP001286	Interferon_gamma	CHEMBL1201564	5882
DB00034	Interferon alfa-2a	BE0000661	IFNAR1	P17181	INAR1_HUMAN		15898717; 18230610	"Dhalluin C, Ross A, Huber W, Gerber P, Brugger D, Gsell B, Senn H: Structural, kinetic, and thermodynamic analysis of the binding of the 40 kDa PEG-interferon-alpha2a and its individual positional isomers to the extracellular domain of the receptor IFNAR2. Bioconjug Chem. 2005 May-Jun;16(3):518-27.@@Cironi P, Swinburne IA, Silver PA: Enhancement of cell type specificity by quantitative modulation of a chimeric ligand. J Biol Chem. 2008 Mar 28;283(13):8469-76. doi: 10.1074/jbc.M708502200. Epub 2008  Jan 29."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"						1746	46506712		PA164779048	P01563	DAP000801	Peginterferon_alfa-2a		5879
DB00036	Coagulation factor VIIa Recombinant Human	BE0000967	TFPI	P10646	TFPI1_HUMAN		11772005; 7559599; 8700900; 12974870; 11238112	"Mine S, Yamazaki T, Miyata T, Hara S, Kato H: Structural mechanism for heparin-binding of the third Kunitz domain of human tissue factor pathway inhibitor. Biochemistry. 2002 Jan 8;41(1):78-85.@@Narita M, Bu G, Olins GM, Higuchi DA, Herz J, Broze GJ Jr, Schwartz AL: Two receptor systems are involved in the plasma clearance of tissue factor pathway inhibitor in vivo. J Biol Chem. 1995 Oct 20;270(42):24800-4.@@Stassens P, Bergum PW, Gansemans Y, Jespers L, Laroche Y, Huang S, Maki S, Messens J, Lauwereys M, Cappello M, Hotez PJ, Lasters I, Vlasuk GP: Anticoagulant repertoire of the hookworm Ancylostoma caninum. Proc Natl Acad Sci U S A. 1996 Mar 5;93(5):2149-54.@@Lee AY, Vlasuk GP: Recombinant nematode anticoagulant protein c2 and other inhibitors targeting blood coagulation factor VIIa/tissue factor. J Intern Med. 2003 Oct;254(4):313-21.@@Hansen CB, Pyke C, Petersen LC, Rao LV: Tissue factor-mediated endocytosis, recycling, and degradation of factor VIIa by a clathrin-independent mechanism not requiring the cytoplasmic domain of tissue factor. Blood. 2001 Mar 15;97(6):1712-20."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Enzymes and Coenzymes; Factor VII; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Increased Coagulation Factor X Activity; Hydrolases; Proteins; Enzymes; Factor VIIa, antagonists & inhibitors; Biological Factors; Blood and Blood Forming Organs; Hemostatics; Increased Coagulation Factor IX Activity; Serine Proteases; Peptide Hydrolases; Blood Proteins; Blood Coagulation Factors; Endopeptidases"						13301	46507544	D00172	PA164748389	P08709		Factor_VII		253149
DB00039	Palifermin	BE0000748	FGFR2	P21802	FGFR2_HUMAN	agonist	17728847; 16390600; 16854582; 7499435; 9056643; 10593896; 17456767; 11752352; 8663044	"Beaven AW, Shea TC: Recombinant human keratinocyte growth factor palifermin reduces oral mucositis and improves patient outcomes after stem cell transplant. Drugs Today (Barc). 2007 Jul;43(7):461-73.@@Radtke ML, Kolesar JM: Palifermin (Kepivance) for the treatment of oral mucositis in patients with hematologic malignancies requiring hematopoietic stem cell support. J Oncol Pharm Pract. 2005 Sep;11(3):121-5.@@Huang YW, Wang LS, Chang HL, Ye W, Shu S, Sugimoto Y, Lin YC: Effect of keratinocyte growth factor on cell viability in primary cultured human prostate cancer stromal cells. J Steroid Biochem Mol Biol. 2006 Jul;100(1-3):24-33. Epub 2006 Jul 18.@@Patrie KM, Kudla AJ, Olwin BB, Chiu IM: Conservation of ligand specificity between the mammalian and amphibian fibroblast growth factor receptors. J Biol Chem. 1995 Dec 1;270(48):29018-24.@@Cardoso WV, Itoh A, Nogawa H, Mason I, Brody JS: FGF-1 and FGF-7 induce distinct patterns of growth and differentiation in embryonic lung epithelium. Dev Dyn. 1997 Mar;208(3):398-405.@@Berman B, Ostrovsky O, Shlissel M, Lang T, Regan D, Vlodavsky I, Ishai-Michaeli R, Ron D: Similarities and differences between the effects of heparin and glypican-1 on the bioactivity of acidic fibroblast growth factor and the keratinocyte growth factor. J Biol Chem. 1999 Dec 17;274(51):36132-8.@@Zhu X, Lee K, Asa SL, Ezzat S: Epigenetic silencing through DNA and histone methylation of fibroblast growth factor receptor 2 in neoplastic pituitary cells. Am J Pathol. 2007 May;170(5):1618-28.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ornitz DM, Xu J, Colvin JS, McEwen DG, MacArthur CA, Coulier F, Gao G, Goldfarb M: Receptor specificity of the fibroblast growth factor family. J Biol Chem. 1996 Jun 21;271(25):15292-7."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation"						17147	46506691		PA164744014	P21781	DAP001026	Palifermin	CHEMBL1201821	196319
DB00039	Palifermin	BE0002131	FGFR1	P11362	FGFR1_HUMAN	agonist	11714710; 10950949; 11091737; 10212269; 9890894; 8663044	"Ostrovsky O, Berman B, Gallagher J, Mulloy B, Fernig DG, Delehedde M, Ron D: Differential effects of heparin saccharides on the formation of specific fibroblast growth factor (FGF) and FGF receptor complexes. J Biol Chem. 2002 Jan 25;277(4):2444-53. Epub 2001 Nov 19.@@Sher I, Lang T, Lubinsky-Mink S, Kuhn J, Adir N, Chatterjee S, Schomburg D, Ron D: Identification of residues important both for primary receptor binding and specificity in fibroblast growth factor-7. J Biol Chem. 2000 Nov 10;275(45):34881-6.@@Matsubara A, Yasumoto H, Usui T: Hormone Refractory Prostate Cancer and Fibroblast Growth Factor Receptor. Breast Cancer. 1999 Oct 25;6(4):320-324.@@Lu W, Luo Y, Kan M, McKeehan WL: Fibroblast growth factor-10. A second candidate stromal to epithelial cell andromedin in prostate. J Biol Chem. 1999 Apr 30;274(18):12827-34.@@Wang F, Lu W, McKeehan K, Mohamedali K, Gabriel JL, Kan M, McKeehan WL: Common and specific determinants for fibroblast growth factors in the ectodomain of the receptor kinase complex. Biochemistry. 1999 Jan 5;38(1):160-71.@@Ornitz DM, Xu J, Colvin JS, McEwen DG, MacArthur CA, Coulier F, Gao G, Goldfarb M: Receptor specificity of the fibroblast growth factor family. J Biol Chem. 1996 Jun 21;271(25):15292-7."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation"						17147	46506691		PA164744014	P21781	DAP001026	Palifermin	CHEMBL1201821	196319
DB00039	Palifermin	BE0001031	HSPG2	P98160	PGBM_HUMAN	ligand	10593896; 9788974; 16989989; 14753849; 9094999	"Berman B, Ostrovsky O, Shlissel M, Lang T, Regan D, Vlodavsky I, Ishai-Michaeli R, Ron D: Similarities and differences between the effects of heparin and glypican-1 on the bioactivity of acidic fibroblast growth factor and the keratinocyte growth factor. J Biol Chem. 1999 Dec 17;274(51):36132-8.@@Sharma B, Handler M, Eichstetter I, Whitelock JM, Nugent MA, Iozzo RV: Antisense targeting of perlecan blocks tumor growth and angiogenesis in vivo. J Clin Invest. 1998 Oct 15;102(8):1599-608.@@Iwabuchi T, Goetinck PF: Syndecan-4 dependent FGF stimulation of mouse vibrissae growth. Mech Dev. 2006 Nov;123(11):831-41. Epub 2006 Aug 12.@@Asada N, Tanaka Y, Hayashido Y, Toratani S, Kan M, Kitamoto M, Nakanishi T, Kajiyama G, Chayama K, Okamoto T: Expression of fibroblast growth factor receptor genes in human hepatoma-derived cell lines. In Vitro Cell Dev Biol Anim. 2003 Jul-Aug;39(7):321-8.@@Friedl A, Chang Z, Tierney A, Rapraeger AC: Differential binding of fibroblast growth factor-2 and -7 to basement membrane heparan sulfate: comparison of normal and abnormal human tissues. Am J Pathol. 1997 Apr;150(4):1443-55."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Detoxifying Agents for Antineoplastic Treatment; Fibroblast Growth Factors; Mucocutaneous Epithelial Cell Growth Factor; Amino Acids, Peptides, and Proteins; Increased Epithelial Proliferation"						17147	46506691		PA164744014	P21781	DAP001026	Palifermin	CHEMBL1201821	196319
DB00040	Glucagon	BE0000527	GCGR	P47871	GLR_HUMAN	agonist	17462598; 17620721; 17623014; 17534934; 17479245; 11752352; 8020989; 12529935; 8144028	"Katayama T, Shimamoto S, Oda H, Nakahara K, Kangawa K, Murakami N: Glucagon receptor expression and glucagon stimulation of ghrelin secretion in rat stomach. Biochem Biophys Res Commun. 2007 Jun 15;357(4):865-70. Epub 2007 Apr 9.@@Li P, Rogers T, Smiley D, DiMarchi RD, Zhang F: Design, synthesis and crystallization of a novel glucagon analog as a therapeutic agent. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jul 1;63(Pt 7):599-601. Epub 2007 Jun 15.@@Li XC, Zhuo JL: Targeting glucagon receptor signalling in treating metabolic syndrome and renal injury in Type 2 diabetes: theory versus promise. Clin Sci (Lond). 2007 Aug;113(4):183-93.@@Fischer AJ, Stanke JJ, Ghai K, Scott M, Omar G: Development of bullwhip neurons in the embryonic chicken retina. J Comp Neurol. 2007 Aug 1;503(4):538-49.@@Winzell MS, Brand CL, Wierup N, Sidelmann UG, Sundler F, Nishimura E, Ahren B: Glucagon receptor antagonism improves islet function in mice with insulin resistance induced by a high-fat diet. Diabetologia. 2007 Jul;50(7):1453-62. Epub 2007 May 4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Menzel S, Stoffel M, Espinosa R 3rd, Fernald AA, Le Beau MM, Bell GI: Localization of the glucagon receptor gene to human chromosome band 17q25. Genomics. 1994 Mar 15;20(2):327-8.@@Brubaker PL, Drucker DJ: Structure-function of the glucagon receptor family of G protein-coupled receptors: the glucagon, GIP, GLP-1, and GLP-2 receptors. Receptors Channels. 2002;8(3-4):179-88.@@Lok S, Kuijper JL, Jelinek LJ, Kramer JM, Whitmore TE, Sprecher CA, Mathewes S, Grant FJ, Biggs SH, Rosenberg GB, et al.: The human glucagon receptor encoding gene: structure, cDNA sequence and chromosomal localization. Gene. 1994 Mar 25;140(2):203-9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Protein Precursors; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Glucagon, antagonists & inhibitors; Proteins; Decreased GI Smooth Muscle Tone; Hormones; Antihypoglycemic Agent; Decreased GI Motility; Increased Gluconeogenesis; Peptides; Pancreatic Hormones; Glycogenolytic Agents; Proglucagon; Decreased Glycolysis; Peptide Hormones; Gastrointestinal Motility Inhibitor; Increased Glycogenolysis; Glycogenolytic Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						11363	46504732	D00116	PA164779052	Q8MJ25	DAP001037	Glucagon	CHEMBL266481	261716
DB00040	Glucagon	BE0002134	GLP2R	O95838	GLP2R_HUMAN	agonist	17139284; 17016423; 11212269; 9990065; 15817468; 12529935	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Boushey RP, Yusta B, Drucker DJ: Glucagon-like peptide (GLP)-2 reduces chemotherapy-associated mortality and enhances cell survival in cells expressing a transfected GLP-2 receptor. Cancer Res. 2001 Jan 15;61(2):687-93.@@Munroe DG, Gupta AK, Kooshesh F, Vyas TB, Rizkalla G, Wang H, Demchyshyn L, Yang ZJ, Kamboj RK, Chen H, McCallum K, Sumner-Smith M, Drucker DJ, Crivici A: Prototypic G protein-coupled receptor for the intestinotrophic factor glucagon-like peptide 2. Proc Natl Acad Sci U S A. 1999 Feb 16;96(4):1569-73.@@Estall JL, Koehler JA, Yusta B, Drucker DJ: The glucagon-like peptide-2 receptor C terminus modulates beta-arrestin-2 association but is dispensable for ligand-induced desensitization, endocytosis, and G-protein-dependent effector activation. J Biol Chem. 2005 Jun 10;280(23):22124-34. Epub 2005 Apr 6.@@Brubaker PL, Drucker DJ: Structure-function of the glucagon receptor family of G protein-coupled receptors: the glucagon, GIP, GLP-1, and GLP-2 receptors. Receptors Channels. 2002;8(3-4):179-88."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Protein Precursors; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Glucagon, antagonists & inhibitors; Proteins; Decreased GI Smooth Muscle Tone; Hormones; Antihypoglycemic Agent; Decreased GI Motility; Increased Gluconeogenesis; Peptides; Pancreatic Hormones; Glycogenolytic Agents; Proglucagon; Decreased Glycolysis; Peptide Hormones; Gastrointestinal Motility Inhibitor; Increased Glycogenolysis; Glycogenolytic Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						11363	46504732	D00116	PA164779052	Q8MJ25	DAP001037	Glucagon	CHEMBL266481	261716
DB00041	Aldesleukin	BE0000651	IL2RB	P14784	IL2RB_HUMAN	agonist	16477002; 16542139; 16569767; 16596189; 16617454; 11752352	"Stauber DJ, Debler EW, Horton PA, Smith KA, Wilson IA: Crystal structure of the IL-2 signaling complex: paradigm for a heterotrimeric cytokine receptor. Proc Natl Acad Sci U S A. 2006 Feb 21;103(8):2788-93. Epub 2006 Feb 13.@@Steppan S, Eckart MR, Bajsarowicz K, Sternberg LR, Greve JM, Cassell DJ: Reduced secondary cytokine induction by BAY 50-4798, a high-affinity receptor-specific interleukin-2 analog. J Interferon Cytokine Res. 2006 Mar;26(3):171-8.@@Cornish GH, Sinclair LV, Cantrell DA: Differential regulation of T-cell growth by IL-2 and IL-15. Blood. 2006 Jul 15;108(2):600-8. Epub 2006 Mar 28.@@Lee KD, Chen HW, Chen CC, Shih YC, Liu HK, Cheng ML: Construction and characterization of a novel fusion protein consisting of anti-CD3 antibody fused to recombinant interleukin-2. Oncol Rep. 2006 May;15(5):1211-6.@@Maclennan C, Hutchinson P, Holdsworth S, Bardin PG, Freezer NJ: Airway inflammation in asymptomatic children with episodic wheeze. Pediatr Pulmonol. 2006 Jun;41(6):577-83.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Adjuvants, Immunologic; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Increased Lymphocyte Activation; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Lymphokines; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Anti-HIV Agents; Cytokines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Lymphocyte Growth Factor; Increased Lymphocyte Cell Production; Narrow Therapeutic Index Drugs"						278	46508054		PA448081	P60569	DAP001099	Interleukin_2	CHEMBL1201438	70223
DB00041	Aldesleukin	BE0000658	IL2RA	P01589	IL2RA_HUMAN	agonist	17216565; 16767920; 17530023; 17584597; 16864089; 11752352; 10207608	"Waldmann TA: Anti-Tac (daclizumab, Zenapax) in the treatment of leukemia, autoimmune diseases, and in the prevention of allograft rejection: a 25-year personal odyssey. J Clin Immunol. 2007 Jan;27(1):1-18. Epub 2007 Jan 11.@@Recchia F, Cesta A, Rea S: Low dose interleukin-2 and 13-cis-retinoic acid as maintenance therapy in patients with solid tumors responsive to chemotherapy. J Exp Clin Cancer Res. 2003 Dec;22(4 Suppl):135-43.@@Waldmann TA: Daclizumab (anti-Tac, Zenapax) in the treatment of leukemia/lymphoma. Oncogene. 2007 May 28;26(25):3699-703.@@Vlad G, Ho EK, Vasilescu ER, Fan J, Liu Z, Cai JW, Jin Z, Burke E, Deng M, Cadeiras M, Cortesini R, Itescu S, Marboe C, Mancini D, Suciu-Foca N: Anti-CD25 treatment and FOXP3-positive regulatory T cells in heart transplantation. Transpl Immunol. 2007 Jul;18(1):13-21. Epub 2007 Apr 2.@@Liu BY, Zhu P, Luo HB, Fu N: [Screening of short peptides binding to cell surface interleukin-2 receptor alpha chain]. Nan Fang Yi Ke Da Xue Xue Bao. 2006 Jul;26(7):971-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ouyang Y, Kaminski NE: Phospholipase A2 inhibitors p-bromophenacyl bromide and arachidonyl trifluoromethyl ketone suppressed interleukin-2 (IL-2) expression in murine primary splenocytes. Arch Toxicol. 1999 Feb;73(1):1-6."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Interleukins; Adjuvants, Immunologic; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Increased Lymphocyte Activation; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Lymphokines; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Anti-HIV Agents; Cytokines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Lymphocyte Growth Factor; Increased Lymphocyte Cell Production; Narrow Therapeutic Index Drugs"						278	46508054		PA448081	P60569	DAP001099	Interleukin_2	CHEMBL1201438	70223
DB00042	Botulinum toxin type B	BE0002138	SYT2	Q8N9I0	SYT2_HUMAN		17139284; 17016423; 19576489	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Poulain B, Lonchamp E, Jover E, Popoff MR, Molgo J: [Mechanisms of action of botulinum toxins and neurotoxins]. Ann Dermatol Venereol. 2009 May;136 Suppl 4:S73-6. doi: 10.1016/S0151-9638(09)74531-4."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Metalloendopeptidases; Agents that produce neuromuscular block (indirect); Enzymes and Coenzymes; Cholinergic Agents; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Amphibian Venoms; Central Nervous System Depressants; Hydrolases; Muscle Relaxants; Toxins, Biological; Proteins; Membrane Transport Modulators; Enzymes; Acetylcholine Release Inhibitors; Musculo-Skeletal System; Biological Factors; Complex Mixtures; Bacterial Toxins; Metalloproteases; Neurotoxins; Botulinum Toxins; Peptide Hydrolases; Central Nervous System Agents; Neurotransmitter Agents; Ganglion Blockers; Venoms; Muscle Relaxants, Peripherally Acting Agents; Other Miscellaneous Therapeutic Agents; Endopeptidases; Anti-Dyskinesia Agents"						12854	46504750	D02735	PA164747061	P10844	DAP001272	Botulinum_toxin	CHEMBL1201569	860178
DB00044	Lutropin alfa	BE0000134	LHCGR	P22888	LSHR_HUMAN	agonist	17139284; 17016423; 20161981; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gibreel A, Bhattacharya S: Recombinant follitropin alfa/lutropin alfa in fertility treatment. Biologics. 2010 Feb 4;4:5-17.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Gonadotropins; Gonadotropins and Antigonadotropins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones						7347	46507624		PA164750539	P01229	DAP001103	Luteinizing_hormone	CHEMBL1201419	388084
DB00045	Lyme disease vaccine (recombinant OspA)	BE0001164	TLR2	O60603	TLR2_HUMAN	other/unknown	14617145	"Welty DM, Snyder DS: Internalization of OspA in rsCD14 complex and aggregated forms. Mol Microbiol. 2003 Nov;50(3):835-43."	Approved; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								46504444		PA164743058	P14013	DAP001334			54214
DB00046	Insulin lispro	BE0000033	INSR	P06213	INSR_HUMAN	agonist	11752352; 8964871; 8937933; 20424816; 27512793	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jehle PM, Fussgaenger RD, Kunze U, Dolderer M, Warchol W, Koop I: The human insulin analog insulin lispro improves insulin binding on circulating monocytes of intensively treated insulin-dependent diabetes mellitus patients. J Clin Endocrinol Metab. 1996 Jun;81(6):2319-27.@@Jehle PM, Fussganger RD, Seibold A, Luttke B, Bohm BO: Pharmacodynamics of insulin Lispro in 2 patients with type II diabetes mellitus. Int J Clin Pharmacol Ther. 1996 Nov;34(11):498-503.@@Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						12028	46507498	D04477	PA164747059		DNC000800	Insulin_lispro	CHEMBL1201538	314684
DB00046	Insulin lispro	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 31771180; 25905175	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						12028	46507498	D04477	PA164747059		DNC000800	Insulin_lispro	CHEMBL1201538	314684
DB00047	Insulin glargine	BE0000033	INSR	P06213	INSR_HUMAN	agonist	11752352; 17922476; 20424816; 18585815	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Le Roith D: Insulin glargine and receptor-mediated signalling: clinical implications in treating type 2 diabetes. Diabetes Metab Res Rev. 2007 Nov;23(8):593-9.@@Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@Wada T, Azegami M, Sugiyama M, Tsuneki H, Sasaoka T: Characteristics of signalling properties mediated by long-acting insulin analogue glargine and detemir in target cells of insulin. Diabetes Res Clin Pract. 2008 Sep;81(3):269-77. doi: 10.1016/j.diabres.2008.05.007. Epub 2008 Jun 27."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Insulin Analog; Antimetabolites; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Lipid Regulating Agents; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Complex Mixtures; Peptides; Pancreatic Hormones; Insulin; Hypolipidemic Agents; Drugs Used in Diabetes; Biological Products; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists"						12724	46507981	D03250	PA449992		DAP001088	Insulin_glargine	CHEMBL1201497	274783
DB00047	Insulin glargine	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 20938889; 17922476	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Ciaraldi TP, Sasaoka T: Review on the in vitro interaction of insulin glargine with the insulin/insulin-like growth factor system: potential implications for metabolic and mitogenic activities. Horm Metab Res. 2011 Jan;43(1):1-10. doi: 10.1055/s-0030-1267203. Epub 2010 Oct 11.@@Le Roith D: Insulin glargine and receptor-mediated signalling: clinical implications in treating type 2 diabetes. Diabetes Metab Res Rev. 2007 Nov;23(8):593-9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Insulin Analog; Antimetabolites; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Lipid Regulating Agents; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Complex Mixtures; Peptides; Pancreatic Hormones; Insulin; Hypolipidemic Agents; Drugs Used in Diabetes; Biological Products; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists"						12724	46507981	D03250	PA449992		DAP001088	Insulin_glargine	CHEMBL1201497	274783
DB00048	Collagenase clostridium histolyticum	BE0002130	COL3A1	P02461	CO3A1_HUMAN	binder	17139284; 17016423; 2145268	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cole WG, Chiodo AA, Lamande SR, Janeczko R, Ramirez F, Dahl HH, Chan D, Bateman JF: A base substitution at a splice site in the COL3A1 gene causes exon skipping and generates abnormal type III procollagen in a patient with Ehlers-Danlos syndrome type IV. J Biol Chem. 1990 Oct 5;265(28):17070-7."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Metalloendopeptidases; Peptide Hydrolases; Musculo-Skeletal System; Preparations for Treatment of Wounds and Ulcers; Collagen-specific Enzyme; Hydrolases; Enzymes and Coenzymes; Metalloproteases; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Collagenases; Endopeptidases; Microbial Collagenase, antagonists & inhibitors; Enzymes"						2150	46506485		PA449107		DAP000965	Collagenase		58939
DB00050	Cetrorelix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	11854630; 12606421; 14561652; 14605254; 16809153; 11752352	"Volker P, Grundker C, Schmidt O, Schulz KD, Emons G: Expression of receptors for luteinizing hormone-releasing hormone in human ovarian and endometrial cancers: frequency, autoregulation, and correlation with direct antiproliferative activity of luteinizing hormone-releasing hormone analogues. Am J Obstet Gynecol. 2002 Feb;186(2):171-9.@@Zapatero-Caballero H, Sanchez-Franco F, Guerra-Perez N, Fernandez-Mendez C, Fernandez-Vazquez G: Gonadotropin-releasing hormone receptor gene expression during pubertal development of male rats. Biol Reprod. 2003 May;68(5):1764-70. Epub 2002 Dec 11.@@Zapatero-Caballero H, Sanchez-Franco F, Fernandez-Mendez C, Garcia-San Frutos M, Botella-Cubells LM, Fernandez-Vazquez G: Gonadotropin-releasing hormone receptor gene expression during pubertal development of female rats. Biol Reprod. 2004 Feb;70(2):348-55. Epub 2003 Oct 15.@@Roth C, Hegemann F, Hildebrandt J, Balzer I, Witt A, Wuttke W, Jarry H: Pituitary and gonadal effects of GnRH (gonadotropin releasing hormone) analogues in two peripubertal female rat models. Pediatr Res. 2004 Jan;55(1):126-33. Epub 2003 Nov 6.@@Castellon E, Clementi M, Hitschfeld C, Sanchez C, Benitez D, Saenz L, Contreras H, Huidobro C: Effect of leuprolide and cetrorelix on cell growth, apoptosis, and GnRH receptor expression in primary cell cultures from human prostate carcinoma. Cancer Invest. 2006 Apr-May;24(3):261-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O					13224	46505494	D07665	PA164764506		DAP000096	Cetrorelix	CHEMBL1200490	68147
DB00050	Cetrorelix	BE0000134	LHCGR	P22888	LSHR_HUMAN		17139284; 17016423; 11943741	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ascoli M, Fanelli F, Segaloff DL: The lutropin/choriogonadotropin receptor, a 2002 perspective. Endocr Rev. 2002 Apr;23(2):141-74."	Approved; Investigational	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O					13224	46505494	D07665	PA164764506		DAP000096	Cetrorelix	CHEMBL1200490	68147
DB00052	Somatotropin	BE0000075	GHR	P10912	GHR_HUMAN	ligand	16917171; 16965663; 17082603; 17128263; 17133434; 11752352; 22291494	"Walenkamp MJ, Wit JM: Genetic disorders in the growth hormone - insulin-like growth factor-I axis. Horm Res. 2006;66(5):221-30.@@Wu XY, Xu Z, Chen C, Liu FK, Li JS: [Correlation of growth hormone receptor expression to preoperative radiosensitivity of rectal cancer patients]. Ai Zheng. 2006 Sep;25(9):1162-7.@@Adriani M, Garbi C, Amodio G, Russo I, Giovannini M, Amorosi S, Matrecano E, Cosentini E, Candotti F, Pignata C: Functional interaction of common gamma-chain and growth hormone receptor signaling apparatus. J Immunol. 2006 Nov 15;177(10):6889-95.@@Choi JH, Kim HS, Kim SH, Yang YR, Bae YS, Chang JS, Kwon HM, Ryu SH, Suh PG: Phospholipase Cgamma1 negatively regulates growth hormone signalling by forming a ternary complex with Jak2 and protein tyrosine phosphatase-1B. Nat Cell Biol. 2006 Dec;8(12):1389-97. Epub 2006 Nov 26.@@Bernstein RM, Leigh SR, Donovan SM, Monaco MH: Hormones and body size evolution in papionin primates. Am J Phys Anthropol. 2007 Feb;132(2):247-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Reh CS, Geffner ME: Somatotropin in the treatment of growth hormone deficiency and Turner syndrome in pediatric patients: a review. Clin Pharmacol. 2010;2:111-22. doi: 10.2147/CPAA.S6525. Epub 2010 Jun 1."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Somatotropin Agonists; Pituitary; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Growth Hormone, antagonists & inhibitors; Pituitary Hormones, Anterior; Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Human Growth Hormone, antagonists & inhibitors; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"						7364	46506010		PA451446	P58756	DAP001054	Growth_hormone	CHEMBL1201621	314845
DB00052	Somatotropin	BE0000345	PRLR	P16471	PRLR_HUMAN	ligand	17279774; 17395896; 17317019; 2270485	"Keeler C, Jablonski EM, Albert YB, Taylor BD, Myszka DG, Clevenger CV, Hodsdon ME: The kinetics of binding human prolactin, but not growth hormone, to the prolactin receptor vary over a physiologic pH range. Biochemistry. 2007 Mar 6;46(9):2398-410. Epub 2007 Feb 6.@@Ahmed TA, Buzzelli MD, Lang CH, Capen JB, Shumate ML, Navaratnarajah M, Nagarajan M, Cooney RN: Interleukin-6 inhibits growth hormone-mediated gene expression in hepatocytes. Am J Physiol Gastrointest Liver Physiol. 2007 Jun;292(6):G1793-803. Epub 2007 Mar 29.@@Moderscheim TA, Gorba T, Pathipati P, Kokay IC, Grattan DR, Williams CE, Scheepens A: Prolactin is involved in glial responses following a focal injury to the juvenile rat brain. Neuroscience. 2007 Mar 30;145(3):963-73. Epub 2007 Feb 20.@@Cunningham BC, Bass S, Fuh G, Wells JA: Zinc mediation of the binding of human growth hormone to the human prolactin receptor. Science. 1990 Dec 21;250(4988):1709-12."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Somatotropin Agonists; Pituitary; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Growth Hormone, antagonists & inhibitors; Pituitary Hormones, Anterior; Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Human Growth Hormone, antagonists & inhibitors; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"						7364	46506010		PA451446	P58756	DAP001054	Growth_hormone	CHEMBL1201621	314845
DB00055	Drotrecogin alfa	BE0000016	F8	P00451	FA8_HUMAN	inhibitor	9184404; 18954704; 11752352; 6419799	"Geng JP, Castellino FJ: Properties of a recombinant chimeric protein in which the gamma-carboxyglutamic acid and helical stack domains of human anticoagulant protein C are replaced by those of human coagulation factor VII. Thromb Haemost. 1997 May;77(5):926-33.@@Colin G, Annane D: Corticosteroids and human recombinant activated protein C for septic shock. Clin Chest Med. 2008 Dec;29(4):705-12, x. doi: 10.1016/j.ccm.2008.06.009.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fulcher CA, Gardiner JE, Griffin JH, Zimmerman TS: Proteolytic inactivation of human factor VIII procoagulant protein by activated human protein C and its analogy with factor V. Blood. 1984 Feb;63(2):486-9."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Anti-Infective Agents; Protein Precursors; Biological Factors; Recombinant Activated Protein C; Blood and Blood Forming Organs; Carbohydrates; Enzyme Precursors; Anticoagulants; Enzymes and Coenzymes; Fibrinolytic Agents; Proteins; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Enzymes"						12084	46505655		PA131548935	P04070	DAP000151	Drotrecogin_alfa		352374
DB00055	Drotrecogin alfa	BE0000041	F5	P12259	FA5_HUMAN	inhibitor	11236773; 11714212; 11893230; 12004250; 12030642; 11752352; 6419799	"Bernard GR, Vincent JL, Laterre PF, LaRosa SP, Dhainaut JF, Lopez-Rodriguez A, Steingrub JS, Garber GE, Helterbrand JD, Ely EW, Fisher CJ Jr: Efficacy and safety of recombinant human activated protein C for severe sepsis. N Engl J Med. 2001 Mar 8;344(10):699-709.@@Kanji S, Devlin JW, Piekos KA, Racine E: Recombinant human activated protein C, drotrecogin alfa (activated): a novel therapy for severe sepsis. Pharmacotherapy. 2001 Nov;21(11):1389-402.@@Lyseng-Williamson KA, Perry CM: Drotrecogin alfa (activated). Drugs. 2002;62(4):617-30; discussion 631-2.@@Joyce DE, Grinnell BW: Recombinant human activated protein C attenuates the inflammatory response in endothelium and monocytes by modulating nuclear factor-kappaB. Crit Care Med. 2002 May;30(5 Suppl):S288-93.@@Poe K: Drotrecogin alfa (activated) approved for treatment of severe sepsis. J Am Pharm Assoc (Wash). 2002 May-Jun;42(3):520-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fulcher CA, Gardiner JE, Griffin JH, Zimmerman TS: Proteolytic inactivation of human factor VIII procoagulant protein by activated human protein C and its analogy with factor V. Blood. 1984 Feb;63(2):486-9."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Anti-Infective Agents; Protein Precursors; Biological Factors; Recombinant Activated Protein C; Blood and Blood Forming Organs; Carbohydrates; Enzyme Precursors; Anticoagulants; Enzymes and Coenzymes; Fibrinolytic Agents; Proteins; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Enzymes"						12084	46505655		PA131548935	P04070	DAP000151	Drotrecogin_alfa		352374
DB00055	Drotrecogin alfa	BE0001161	PROCR	Q9UNN8	EPCR_HUMAN		9529319; 12871285; 12353077; 17566522; 15118520	"Fukudome K, Ye X, Tsuneyoshi N, Tokunaga O, Sugawara K, Mizokami H, Kimoto M: Activation mechanism of anticoagulant protein C in large blood vessels involving the endothelial cell protein C receptor. J Exp Med. 1998 Apr 6;187(7):1029-35.@@Ruf W, Dorfleutner A, Riewald M: Specificity of coagulation factor signaling. J Thromb Haemost. 2003 Jul;1(7):1495-503.@@Castellino FJ, Liang Z, Volkir SP, Haalboom E, Martin JA, Sandoval-Cooper MJ, Rosen ED: Mice with a severe deficiency of the endothelial protein C receptor gene develop, survive, and reproduce normally, and do not present with enhanced arterial thrombosis after challenge. Thromb Haemost. 2002 Sep;88(3):462-72.@@Cerchiara E, Tirindelli MC, Giannetti B, Dicuonzo G, Avvisati G: [The numerous properties of the anticoagulant protein C]. Clin Ter. 2007 Mar-Apr;158(2):181-7.@@Liaw PC: Endogenous protein C activation in patients with severe sepsis. Crit Care Med. 2004 May;32(5 Suppl):S214-8."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Anti-Infective Agents; Protein Precursors; Biological Factors; Recombinant Activated Protein C; Blood and Blood Forming Organs; Carbohydrates; Enzyme Precursors; Anticoagulants; Enzymes and Coenzymes; Fibrinolytic Agents; Proteins; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Enzymes"						12084	46505655		PA131548935	P04070	DAP000151	Drotrecogin_alfa		352374
DB00056	Gemtuzumab ozogamicin	BE0000674	CD33	P20138	CD33_HUMAN	antibody	10942240; 11249747; 11342449; 11410481; 11432892; 20564405; 11752352; 33807678	"Naito K, Takeshita A, Shigeno K, Nakamura S, Fujisawa S, Shinjo K, Yoshida H, Ohnishi K, Mori M, Terakawa S, Ohno R: Calicheamicin-conjugated humanized anti-CD33 monoclonal antibody (gemtuzumab zogamicin, CMA-676) shows cytocidal effect on CD33-positive leukemia cell lines, but is inactive on P-glycoprotein-expressing sublines. Leukemia. 2000 Aug;14(8):1436-43.@@Niculescu-Duvaz I: Technology evaluation: gemtuzumab ozogamicin, Celltech Group. Curr Opin Mol Ther. 2000 Dec;2(6):691-6.@@van Der Velden VH, te Marvelde JG, Hoogeveen PG, Bernstein ID, Houtsmuller AB, Berger MS, van Dongen JJ: Targeting of the CD33-calicheamicin immunoconjugate Mylotarg (CMA-676) in acute myeloid leukemia: in vivo and in vitro saturation and internalization by leukemic and normal myeloid cells. Blood. 2001 May 15;97(10):3197-204.@@Bross PF, Beitz J, Chen G, Chen XH, Duffy E, Kieffer L, Roy S, Sridhara R, Rahman A, Williams G, Pazdur R: Approval summary: gemtuzumab ozogamicin in relapsed acute myeloid leukemia. Clin Cancer Res. 2001 Jun;7(6):1490-6.@@Sievers EL, Larson RA, Stadtmauer EA, Estey E, Lowenberg B, Dombret H, Karanes C, Theobald M, Bennett JM, Sherman ML, Berger MS, Eten CB, Loken MR, van Dongen JJ, Bernstein ID, Appelbaum FR: Efficacy and safety of gemtuzumab ozogamicin in patients with CD33-positive acute myeloid leukemia in first relapse. J Clin Oncol. 2001 Jul 1;19(13):3244-54.@@McHayleh W, Foon K, Redner R, Sehgal R, Raptis A, Agha M, Luong TM, Schlesselman JJ, Boyiadzis M: Gemtuzumab ozogamicin as first-line treatment in patients aged 70 years or older with acute myeloid leukemia. Cancer. 2010 Jun 15;116(12):3001-5. doi: 10.1002/cncr.25078.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Glycosides; Carbohydrates; Immunoproteins; Antibodies, Monoclonal, Humanized; CD33-directed Cytotoxin; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; CD33-directed Antibody Interactions; Calicheamicins; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins"						23390	46505767		PA164749431		DAP000390	Gemtuzumab_ozogamicin	CHEMBL1201506	1294580
DB00058	Alpha-1-proteinase inhibitor	BE0000394	ELANE	P08246	ELNE_HUMAN	inhibitor	20521180; 16773239; 11752352	"Topic A, Ljujic M, Nikolic A, Petrovic-Stanojevic N, Dopudja-Pantic V, Mitic-Milikic M, Radojkovic D: Alpha-1-antitrypsin phenotypes and neutrophil elastase gene promoter polymorphisms in lung cancer. Pathol Oncol Res. 2011 Mar;17(1):75-80. doi: 10.1007/s12253-010-9283-5. Epub 2010 Jun 3.@@Karnaukhova E, Ophir Y, Golding B: Recombinant human alpha-1 proteinase inhibitor: towards therapeutic use. Amino Acids. 2006 Jun;30(4):317-32. Epub 2006 May 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Protease Inhibitors; Serum Globulins; Enzyme Inhibitors; Carbohydrates; Enzymes and Coenzymes; Globulins; Amino Acids, Peptides, and Proteins; Glycoproteins; Antifibrinolytic Agents; Human alpha-1 Proteinase Inhibitor; Acute-Phase Proteins; Proteins; Glycoconjugates; Proteinase Inhibitors; Enzymes; Blood and Blood Forming Organs; Hemostatics; Serpins; Peptides; Serine Protease Inhibitors; Trypsin Inhibitors; Alpha-Globulins; Blood Proteins; Proteinase Inhibitory Proteins, Secretory"						7762	46506364		PA10308	P01009	DAP001102	Alpha-1_antitrypsin		535
DB00060	Interferon beta-1a	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	10049744; 16912135; 12034032; 11747625	"Russell-Harde D, Wagner TC, Perez HD, Croze E: Formation of a uniquely stable type I interferon receptor complex by interferon beta is dependent upon particular interactions between interferon beta and its receptor and independent of tyrosine phosphorylation. Biochem Biophys Res Commun. 1999 Feb 16;255(2):539-44.@@van Koetsveld PM, Vitale G, de Herder WW, Feelders RA, van der Wansem K, Waaijers M, van Eijck CH, Speel EJ, Croze E, van der Lely AJ, Lamberts SW, Hofland LJ: Potent inhibitory effects of type I interferons on human adrenocortical carcinoma cell growth. J Clin Endocrinol Metab. 2006 Nov;91(11):4537-43. Epub 2006 Aug 15.@@Dupont SA, Goelz S, Goyal J, Green M: Mechanisms for regulation of cellular responsiveness to human IFN-beta1a. J Interferon Cytokine Res. 2002 Apr;22(4):491-501.@@Runkel L, De Dios C, Karpusas M, Baker D, Li Z, Zafari M, Betzenhauser M, Muldowney C, Miller S, Redlich PN, Grossberg SE, Whitty A, Hochman PS: Mapping of IFN-beta epitopes important for receptor binding and biologic activation: comparison of results achieved using antibody-based methods and alanine substitution mutagenesis. J Interferon Cytokine Res. 2001 Nov;21(11):931-41."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"						11746	46504899		PA450037	P01574	DAP001282	Interferon_beta-1a	CHEMBL1201562	75917
DB00063	Eptifibatide	BE0009351	CACNA1B	Q00975	CAC1B_HUMAN	antagonist	9825033	Chong PH: Glycoprotein IIb/IIIa receptor antagonists in the management of cardiovascular diseases. Am J Health Syst Pharm. 1998 Nov 15;55(22):2363-86. doi: 10.1093/ajhp/55.22.2363.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptides, Cyclic; Blood and Blood Forming Organs; Hematologic Agents; Peptides; Platelet Aggregation Inhibitors Excl. Heparin; Amino Acids, Peptides, and Proteins; Antiplatelet agents; Decreased Platelet Aggregation"			Eptifibatide Action Pathway	drug_action		11891	46505459		PA449483		DAP000285	Eptifibatide	CHEMBL1174	75635
DB00066	Follitropin	BE0000387	FSHR	P23945	FSHR_HUMAN	agonist	11299519; 7755615; 2108722; 8319832; 8070368; 18020563; 11752352	"Layman LC: Mutations in the follicle-stimulating hormone-beta (FSH beta) and FSH receptor genes in mice and humans. Semin Reprod Med. 2000;18(1):5-10.@@Leng N, Dattatreyamurty B, Reichert LE Jr: Identification of amino acid residues 300-315 of the rat FSH receptor as a hormone binding domain: evidence for its interaction with specific regions of FSH beta-subunit. Biochem Biophys Res Commun. 1995 May 16;210(2):392-9.@@Santa Coloma TA, Dattatreyamurty B, Reichert LE Jr: A synthetic peptide corresponding to human FSH beta-subunit 33-53 binds to FSH receptor, stimulates basal estradiol biosynthesis, and is a partial antagonist of FSH. Biochemistry. 1990 Feb 6;29(5):1194-200.@@Dattatreyamurty B, Reichert LE Jr: Identification of regions of the follitropin (FSH) beta-subunit that interact with the N-terminus region (residues 9-30) of the FSH receptor. Mol Cell Endocrinol. 1993 May;93(1):39-46.@@Lindau-Shepard B, Roth KE, Dias JA: Identification of amino acids in the C-terminal region of human follicle-stimulating hormone (FSH) beta-subunit involved in binding to human FSH receptor. Endocrinology. 1994 Sep;135(3):1235-40.@@Goa KL, Wagstaff AJ: Follitropin alpha in infertility: a review. BioDrugs. 1998 Mar;9(3):235-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hormones; Thyroid Products; Gonadotropins; Follicle Stimulating Hormone; Peptides; Gonadotropins and Antigonadotropins; Hormones; Genito Urinary System and Sex Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Proteins; Sex Hormones and Modulators of the Genital System; Amino Acids, Peptides, and Proteins; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists"						7649	46508818		PA449693	P01225	DAP001028	Follicle-stimulating_hormone	CHEMBL1201692	227518
DB00067	Vasopressin	BE0000844	OXTR	P30559	OXYR_HUMAN	agonist	24621650	"Pelletier JS, Dicken B, Bigam D, Cheung PY: Cardiac effects of vasopressin. J Cardiovasc Pharmacol. 2014 Jul;64(1):100-7. doi: 10.1097/FJC.0000000000000092."	Approved			"Arginine Vasopressin, analogs & derivatives; Vasopressin and Analogues; Arginine Vasopressin; Pituitary Hormones, Posterior; Pituitary; Amino Acids, Peptides, and Proteins; Cardiovascular Agents; Nerve Tissue Proteins; Coagulants; Vasoconstrictor Agents; Proteins; Vasoconstriction; Hormones; Antidiuretic Agents; Oligopeptides; Hemostatics; Neuropeptides; Peptides; Natriuretic Agents; Vasopressins; Decreased Diuresis; Peptide Hormones; Hematologic Agents; Pituitary Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.NC1CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O					7387	46505933	D00101	PA451858		DAP000018	Vasopressin	CHEMBL373742	11149
DB00068	Interferon beta-1b	BE0000661	IFNAR1	P17181	INAR1_HUMAN	agonist	10049744; 11752352	"Russell-Harde D, Wagner TC, Perez HD, Croze E: Formation of a uniquely stable type I interferon receptor complex by interferon beta is dependent upon particular interactions between interferon beta and its receptor and independent of tyrosine phosphorylation. Biochem Biophys Res Commun. 1999 Feb 16;255(2):539-44.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Recombinant Human Interferon beta; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Interferon-beta; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"						172	46504458	D00746	PA450039	P01574	DAP001283	Interferon_beta-1b	CHEMBL1201563	72258
DB00069	Interferon alfacon-1	BE0000661	IFNAR1	P17181	INAR1_HUMAN	binder	17139284; 17016423; 12528473; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yasuda S, Miyata K: [Interferon alfacon-1 (Advaferon): a novel synthetic interferon for the treatment of hepatitis C, its pharmacological and clinical profile]. Nihon Yakurigaku Zasshi. 2002 Dec;120(6):421-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Antiviral Agents; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Biological Factors; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"						11856	46505985		PA164749376		DAP001284	Interferon_alfacon-1	CHEMBL1201557	59744
DB00070	Hyaluronidase (ovine)	BE0000984	TGFB1	P01137	TGFB1_HUMAN	inhibitor	11327694; 7648625; 9435505; 9850732	"Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Glycoside Hydrolases; Enzymes and Coenzymes; Enzymes						6039	46505087		PA164745713	P38567		Hyaluronidase	CHEMBL1201636	486164
DB00071	Insulin pork	BE0000033	INSR	P06213	INSR_HUMAN	binder	12038982; 12970169; 11752352	"Chen LM, Yang XW, Tang JG: Acidic residues on the N-terminus of proinsulin C-Peptide are important for the folding of insulin precursor. J Biochem. 2002 Jun;131(6):855-9.@@Desbuquois B, Chauvet G, Kouach M, Authier F: Cell itinerary and metabolic fate of proinsulin in rat liver: in vivo and in vitro studies. Endocrinology. 2003 Dec;144(12):5308-21. Epub 2003 Sep 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Proteins; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46508925		PA164781053	Q8HXV2	DAP001089	Insulin		221109
DB00071	Insulin pork	BE0000858	IGF1R	P08069	IGF1R_HUMAN		17139284; 17016423; 9846170; 9582514; 7476290	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fottner C, Engelhardt D, Weber MM: Regulation of steroidogenesis by insulin-like growth factors (IGFs) in adult human adrenocortical cells: IGF-I and, more potently, IGF-II preferentially enhance androgen biosynthesis through interaction with the IGF-I receptor and IGF-binding proteins. J Endocrinol. 1998 Sep;158(3):409-17.@@Zhang Q, Berggren PO, Hansson A, Tally M: Insulin-like growth factor-I-induced DNA synthesis in insulin-secreting cell line RINm5F is associated with phosphorylation of the insulin-like growth factor-I receptor and the insulin receptor substrate-2. J Endocrinol. 1998 Mar;156(3):573-81.@@Sowers JR, Jacobs DB, Simpson L, al-Homsi B, Grunberger G, Sokol R: Erythrocyte insulin and insulin-like growth factor-I receptor tyrosine kinase activity in hypertension in pregnancy. Metabolism. 1995 Oct;44(10):1308-13."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Proteins; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7326	46508925		PA164781053	Q8HXV2	DAP001089	Insulin		221109
DB00072	Trastuzumab	BE0000511	ERBB2	P04626	ERBB2_HUMAN	binder	11752352; 18690878; 17660958; 11098307	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Leveque D, Gigou L, Bergerat JP: Clinical pharmacology of trastuzumab. Curr Clin Pharmacol. 2008 Jan;3(1):51-5.@@Lin A, Rugo HS: The role of trastuzumab in early stage breast cancer: current data and treatment recommendations. Curr Treat Options Oncol. 2007 Feb;8(1):47-60.@@Treish I, Schwartz R, Lindley C: Pharmacology and therapeutic use of trastuzumab in breast cancer. Am J Health Syst Pharm. 2000 Nov 15;57(22):2063-76; quiz 2077-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"HER2/Neu/cerbB2 Antagonists; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cardiotoxic antineoplastic agents; Proteins; Antineoplastic Agents; HER2 Receptor Antagonists; Immunoglobulins; Complex Mixtures; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Narrow Therapeutic Index Drugs; Blood Proteins"			Trastuzumab Action Pathway	drug_action		11905	46507516	D03257	PA451743	P01857	DAP000391	Trastuzumab	CHEMBL1201585	224905
DB00073	Rituximab	BE0000066	MS4A1	P11836	CD20_HUMAN	antibody	11752352; 20350667; 20350663; 9704735; 26883591; 26920337; 33807678	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@van Meerten T, Hagenbeek A: CD20-targeted therapy: the next generation of antibodies. Semin Hematol. 2010 Apr;47(2):199-210. doi: 10.1053/j.seminhematol.2010.01.007.@@Jaglowski SM, Byrd JC: Rituximab in chronic lymphocytic leukemia. Semin Hematol. 2010 Apr;47(2):156-69. doi: 10.1053/j.seminhematol.2010.01.005.@@McLaughlin P, Grillo-Lopez AJ, Link BK, Levy R, Czuczman MS, Williams ME, Heyman MR, Bence-Bruckler I, White CA, Cabanillas F, Jain V, Ho AD, Lister J, Wey K, Shen D, Dallaire BK: Rituximab chimeric anti-CD20 monoclonal antibody therapy for relapsed indolent lymphoma: half of patients respond to a four-dose treatment program. J Clin Oncol. 1998 Aug;16(8):2825-33.@@Phuah J, Wong EA, Gideon HP, Maiello P, Coleman MT, Hendricks MR, Ruden R, Cirrincione LR, Chan J, Lin PL, Flynn JL: Effects of B Cell Depletion on Early Mycobacterium tuberculosis Infection in Cynomolgus Macaques. Infect Immun. 2016 Apr 22;84(5):1301-1311. doi: 10.1128/IAI.00083-16. Print 2016 May.@@Hayashi K, Nagasaki E, Kan S, Ito M, Kamata Y, Homma S, Aiba K: Gemcitabine enhances rituximab-mediated complement-dependent cytotoxicity to B cell lymphoma by CD20 upregulation. Cancer Sci. 2016 May;107(5):682-9. doi: 10.1111/cas.12918. Epub 2016 Apr 7.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Immunoproteins; CD20 (Clusters of Differentiation 20) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Biologics for Rheumatoid Arthritis Treatment; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; Antibodies, Monoclonal, Murine-Derived; CD20-directed Antibody Interactions; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; CD20-directed Cytolytic Antibody; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Blood Proteins"						11982	46505820		PA451261	P01857	DAP000382	Rituximab	CHEMBL1201576	121191
DB00074	Basiliximab	BE0000658	IL2RA	P01589	IL2RA_HUMAN	antibody	12591363; 9695721; 16908318; 10512062; 10567956; 11752352	"Choy BY, Chan TM, Li FK, Lui SL, Lo WK, Yip T, Tse KC, Lai KN: IL2-receptor antagonist (basiliximab) induction therapy is associated with lower morbidity and mortality in renal transplant recipients. Transplant Proc. 2003 Feb;35(1):195.@@Kovarik J, Breidenbach T, Gerbeau C, Korn A, Schmidt AG, Nashan B: Disposition and immunodynamics of basiliximab in liver allograft recipients. Clin Pharmacol Ther. 1998 Jul;64(1):66-72.@@Garcia CD, Bittencourt VB, Tumelero A, Antonello JS, Malheiros D, Garcia VD: Plasmapheresis for recurrent posttransplant focal segmental glomerulosclerosis. Transplant Proc. 2006 Jul-Aug;38(6):1904-5.@@Berard JL, Velez RL, Freeman RB, Tsunoda SM: A review of interleukin-2 receptor antagonists in solid organ transplantation. Pharmacotherapy. 1999 Oct;19(10):1127-37.@@Mentre F, Kovarik J, Gerbeau C: Constructing a prediction interval for time to reach a threshold concentration based on a population pharmacokinetic analysis: an application to basiliximab in renal transplantation. J Pharmacokinet Biopharm. 1999 Apr;27(2):213-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Interleukin-2 Receptor Antagonist; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Interleukin-2 Receptor Blocking Antibody; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"						12027	46505169		PA164747126	P01857	DAP000388	Basiliximab	CHEMBL1201439	196102
DB00074	Basiliximab	BE0000651	IL2RB	P14784	IL2RB_HUMAN	antibody	10188761; 10708100; 11840795; 12667677; 12826150; 11752352	"Onrust SV, Wiseman LR: Basiliximab. Drugs. 1999 Feb;57(2):207-13; discussion 214.@@Hausen B, Gummert J, Berry GJ, Christians U, Serkova N, Ikonen T, Hook L, Legay F, Schuler W, Schreier MH, Morris RE: Prevention of acute allograft rejection in nonhuman primate lung transplant recipients: induction with chimeric anti-interleukin-2 receptor monoclonal antibody improves the tolerability and potentiates the immunosuppressive activity of a regimen using low doses of both microemulsion cyclosporine and 40-O-(2-hydroxyethyl)-rapamycin. Transplantation. 2000 Feb 27;69(4):488-96.@@Schmitz K, Hitzer S, Behrens-Baumann W: [Immune suppression by combination therapy with basiliximab and cyclosporin in high risk keratoplasty. A pilot study]. Ophthalmologe. 2002 Jan;99(1):38-45.@@Warle MC, Kwekkeboom J, Tilanus HW, Metselaar HJ: Basiliximab interferes with the detection of soluble IL-2 receptor by the Immulite Immunoassay system. J Immunol Methods. 2003 Apr 1;275(1-2):133-6.@@Emparan C, Laukotter M, Wolters H, Dame C, Heidenreich S, Senninger N: Calcineurin-free protocols with basiliximab induction allow patients included in ""old to old"" programs achieve standard kidney transplant function. Transplant Proc. 2003 Jun;35(4):1326-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Interleukin-2 Receptor Antagonist; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Interleukin-2 Receptor Blocking Antibody; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"						12027	46505169		PA164747126	P01857	DAP000388	Basiliximab	CHEMBL1201439	196102
DB00075	Muromonab	BE0003458	CD247	P20963	CD3Z_HUMAN		2503348; 8861551	"Todd PA, Brogden RN: Muromonab CD3. A review of its pharmacology and therapeutic potential. Drugs. 1989 Jun;37(6):871-99.@@Wilde MI, Goa KL: Muromonab CD3: a reappraisal of its pharmacology and use as prophylaxis of solid organ transplant rejection. Drugs. 1996 May;51(5):865-94."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunoglobulin Isotypes; Immunologic Factors; Decreased Immunologic Activity; CD3-directed Antibody Interactions; Immunoglobulin G; Proteins; Immunoglobulins; CD3 Receptor Antagonists; Selective Immunosuppressants; Antibodies, Monoclonal, Murine-Derived; CD3 Blocker Immunosuppressant; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins"						7680	46507837	D05092	PA164743097		DAP001301	Muromonab-CD3	CHEMBL1201608	42405
DB00078	Ibritumomab tiuxetan	BE0000066	MS4A1	P11836	CD20_HUMAN	antibody	10541376; 11418316; 11879282; 12011122; 15045033; 11752352; 20113680; 33807678	"Wiseman GA, White CA, Witzig TE, Gordon LI, Emmanouilides C, Raubitschek A, Janakiraman N, Gutheil J, Schilder RJ, Spies S, Silverman DH, Grillo-Lopez AJ: Radioimmunotherapy of relapsed non-Hodgkin's lymphoma with zevalin, a 90Y-labeled anti-CD20 monoclonal antibody. Clin Cancer Res. 1999 Oct;5(10 Suppl):3281s-3286s.@@Goldenberg DM: The role of radiolabeled antibodies in the treatment of non-Hodgkin's lymphoma: the coming of age of radioimmunotherapy. Crit Rev Oncol Hematol. 2001 Jul-Aug;39(1-2):195-201.@@Dillman RO: Monoclonal antibody therapy for lymphoma: an update. Cancer Pract. 2001 Mar-Apr;9(2):71-80.@@Witzig TE, Gordon LI, Cabanillas F, Czuczman MS, Emmanouilides C, Joyce R, Pohlman BL, Bartlett NL, Wiseman GA, Padre N, Grillo-Lopez AJ, Multani P, White CA: Randomized controlled trial of yttrium-90-labeled ibritumomab tiuxetan radioimmunotherapy versus rituximab immunotherapy for patients with relapsed or refractory low-grade, follicular, or transformed B-cell non-Hodgkin's lymphoma. J Clin Oncol. 2002 May 15;20(10):2453-63.@@Witzig TE: Yttrium-90-ibritumomab tiuxetan radioimmunotherapy: a new treatment approach for B-cell non-Hodgkin's lymphoma. Drugs Today (Barc). 2004 Feb;40(2):111-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Goldsmith SJ: Radioimmunotherapy of lymphoma: Bexxar and Zevalin. Semin Nucl Med. 2010 Mar;40(2):122-35. doi: 10.1053/j.semnuclmed.2009.11.002.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Immunoproteins; Yttrium Radioisotopes; Various Therapeutic Radiopharmaceuticals; Lymphoma, B-Cell; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Antigens, CD20; Therapeutic Radiopharmaceuticals; Immunoglobulins; CD20-directed Radiotherapeutic Antibody; CD20-directed Antibody Interactions; Radiopharmaceutical Activity; Immunosuppressive Agents; Blood Proteins"						12697	46506112		PA164781375	P01865	DAP000383	Ibritumomab_tiuxetan		262323
DB00081	Tositumomab	BE0000066	MS4A1	P11836	CD20_HUMAN	antibody	11418316; 11879282; 12899647; 14748653; 15023434; 11752352; 13129395	"Goldenberg DM: The role of radiolabeled antibodies in the treatment of non-Hodgkin's lymphoma: the coming of age of radioimmunotherapy. Crit Rev Oncol Hematol. 2001 Jul-Aug;39(1-2):195-201.@@Dillman RO: Monoclonal antibody therapy for lymphoma: an update. Cancer Pract. 2001 Mar-Apr;9(2):71-80.@@Authors unspecified: Iodine-131 Tositumomab: (131)I-anti-B1 antibody, (131)I-tositumomab, anti-CD20 murine monoclonal antibody-I-131, B1, Bexxar, (131)I-anti-B1 antibody, iodine-131 tositumomab, iodine-131 anti-B1 antibody, tositumomab. BioDrugs. 2003;17(4):290-5.@@Friedberg JW, Fisher RI: Iodine-131 tositumomab (Bexxar): radioimmunoconjugate therapy for indolent and transformed B-cell non-Hodgkin's lymphoma. Expert Rev Anticancer Ther. 2004 Feb;4(1):18-26.@@Silverman DH, Delpassand ES, Torabi F, Goy A, McLaughlin P, Murray JL: Radiolabeled antibody therapy in non-Hodgkins lymphoma: radiation protection, isotope comparisons and quality of life issues. Cancer Treat Rev. 2004 Apr;30(2):165-72.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Beeson C, Butrynski JE, Hart MJ, Nourigat C, Matthews DC, Press OW, Senter PD, Bernstein ID: Conditionally cleavable radioimmunoconjugates: a novel approach for the release of radioisotopes from radioimmunoconjugates. Bioconjug Chem. 2003 Sep-Oct;14(5):927-33."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Serum Globulins; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Iodine (131I) Compounds; Proteins; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Antigens, CD20; Therapeutic Radiopharmaceuticals; Immunoglobulins; CD20-directed Radiotherapeutic Antibody; CD20-directed Antibody Interactions; Radiopharmaceutical Activity; Immunosuppressive Agents; Radioimmunotherapy; Blood Proteins"						16096	46506662		PA164748364	P01857	DAP000384	Tositumomab	CHEMBL1201604	263010
DB00082	Pegvisomant	BE0000075	GHR	P10912	GHR_HUMAN	antagonist	19820031; 17322491; 11752352; 20595800	"Moller L, Norrelund H, Jessen N, Flyvbjerg A, Pedersen SB, Gaylinn BD, Liu J, Thorner MO, Moller N, Lunde Jorgensen JO: Impact of growth hormone receptor blockade on substrate metabolism during fasting in healthy subjects. J Clin Endocrinol Metab. 2009 Nov;94(11):4524-32. doi: 10.1210/jc.2009-0381. Epub 2009 Oct 9.@@Paisley AN, Hayden K, Ellis A, Anderson J, Wieringa G, Trainer PJ: Pegvisomant interference in GH assays results in underestimation of GH levels. Eur J Endocrinol. 2007 Mar;156(3):315-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@De Martino MC, Auriemma RS, Brevetti G, Vitale G, Schiano V, Galdiero M, Grasso L, Lombardi G, Colao A, Pivonello R: The treatment with growth hormone receptor antagonist in acromegaly: effect on vascular structure and function in patients resistant to somatostatin analogues. J Endocrinol Invest. 2010 Oct;33(9):663-70. doi: 10.3275/7143. Epub 2010 Jul 1."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP3A4 Inducers; Hormones; Acromegaly; Peptides; Peptide Hormones; Hypoglycemia-Associated Agents; Growth Hormone Receptor Antagonist; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Growth Hormone Receptor Antagonists; Pituitary Hormones, Anterior; Pituitary Hormones; Pegylated agents; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"						16581	46505507		PA164749630	P58756	DAP000286	Pegvisomant	CHEMBL1201515	278739
DB00083	Botulinum toxin type A	BE0000390	SNAP25	P60880	SNP25_HUMAN	inhibitor	14644446; 15222581; 16831062; 9886085	"Zhou JY, Wang ZF, Ren XM, Tang MZ, Shi YL: Antagonism of botulinum toxin type A-induced cleavage of SNAP-25 in rat cerebral synaptosome by toosendanin. FEBS Lett. 2003 Dec 4;555(2):375-9.@@Flynn TC: Myobloc. Dermatol Clin. 2004 Apr;22(2):207-11, vii.@@Straughan D: Progress in applying the Three Rs to the potency testing of Botulinum toxin type A. Altern Lab Anim. 2006 Jun;34(3):305-13.@@Vaidyanathan VV, Yoshino K, Jahnz M, Dorries C, Bade S, Nauenburg S, Niemann H, Binz T: Proteolysis of SNAP-25 isoforms by botulinum neurotoxin types A, C, and E: domains and amino acid residues controlling the formation of enzyme-substrate complexes and cleavage. J Neurochem. 1999 Jan;72(1):327-37. doi: 10.1046/j.1471-4159.1999.0720327.x."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Metalloendopeptidases; Agents that produce neuromuscular block (indirect); Enzymes and Coenzymes; Cholinergic Agents; Noxae; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Neuromuscular Blocking Agents; Botulinum Toxins, Type A; Central Nervous System Depressants; Hydrolases; Muscle Relaxants; Toxins, Biological; Proteins; Membrane Transport Modulators; Enzymes; Acetylcholine Release Inhibitors; Musculo-Skeletal System; Biological Factors; Bacterial Toxins; Metalloproteases; Neurotoxins; Peripheral Nervous System Agents; Botulinum Toxins; Peptide Hydrolases; Neuromuscular Agents; Neurotransmitter Agents; Ganglion Blockers; Muscle Relaxants, Peripherally Acting Agents; Other Miscellaneous Therapeutic Agents; Toxic Actions; Endopeptidases"						22972	46505347	D00783	PA164754825	P10845	DAP001298	Botulinum_toxin		1000104
DB00086	Streptokinase	BE0000211	PLG	P00747	PLMN_HUMAN	activator	10569766; 10581996; 10631997; 10664583; 10726310; 11752352	"Caballero AR, Lottenberg R, Johnston KH: Cloning, expression, sequence analysis, and characterization of streptokinases secreted by porcine and equine isolates of Streptococcus equisimilis. Infect Immun. 1999 Dec;67(12):6478-86.@@Alessi MC, Juhan-Vague I: [Thrombolytics and their use]. Rev Prat. 1999 Oct 1;49(15):1654-8.@@Chaudhary A, Vasudha S, Rajagopal K, Komath SS, Garg N, Yadav M, Mande SC, Sahni G: Function of the central domain of streptokinase in substrate plasminogen docking and processing revealed by site-directed mutagenesis. Protein Sci. 1999 Dec;8(12):2791-805.@@Parry MA, Zhang XC, Bode I: Molecular mechanisms of plasminogen activation: bacterial cofactors provide clues. Trends Biochem Sci. 2000 Feb;25(2):53-9.@@Korol'chuk VI, Makohonenko IeM, Sederkhol'm-Vil'iams SA: [Plasminogen binding with decapeptide and polypeptide fragments of streptokinase]. Ukr Biokhim Zh (1999). 1999 Sep-Oct;71(5):51-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Plasminogen Activators; Enzymes and Coenzymes; Agents causing angioedema; Anticoagulants; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Cardiovascular Agents; Hydrolases; Proteins; Enzymes; Blood and Blood Forming Organs; Fibrinolytic Agents; Peptide Hydrolases; Streptokinase, antagonists & inhibitors; Hematologic Agents; Blood Proteins; Endopeptidases; Fibrin Modulating Agents"			Streptokinase Action Pathway	drug_action		5991	46505625		PA164754919	P00779	DAP001198	Streptokinase	CHEMBL2108147	10106
DB00089	Capromab pendetide	BE0000568	FOLH1	Q04609	FOLH1_HUMAN	other/unknown	11016653; 15882479; 9508077; 9792131; 11752352	"Smith-Jones PM, Vallabahajosula S, Goldsmith SJ, Navarro V, Hunter CJ, Bastidas D, Bander NH: In vitro characterization of radiolabeled monoclonal antibodies specific for the extracellular domain of prostate-specific membrane antigen. Cancer Res. 2000 Sep 15;60(18):5237-43.@@Sodee DB, Nelson AD, Faulhaber PF, Maclennan GT, Resnick MI, Bakale G: Update on fused capromab pendetide imaging of prostate cancer. Clin Prostate Cancer. 2005 Mar;3(4):230-8.@@Gregorakis AK, Holmes EH, Murphy GP: Prostate-specific membrane antigen: current and future utility. Semin Urol Oncol. 1998 Feb;16(1):2-12.@@Sodee DB, Ellis RJ, Samuels MA, Spirnak JP, Poole WF, Riester C, Martanovic DM, Stonecipher R, Bellon EM: Prostate cancer and prostate bed SPECT imaging with ProstaScint: semiquantitative correlation with prostatic biopsy results. Prostate. 1998 Nov 1;37(3):140-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Indicators and Reagents; Diagnostic Radiopharmaceuticals; Immunoglobulins; Serum Globulins; Prostatic Neoplasms; Indium (111In) Compounds; Immunoproteins; Tumour Detection; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Indium Radioisotopes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"						20500	46506263		PA164745489		DAP001049	Indium_(111In)_capromab_pendetide	CHEMBL2108285	136300
DB00094	Urofollitropin	BE0000387	FSHR	P23945	FSHR_HUMAN	agonist	11299519; 7755615; 2108722; 8319832; 8070368; 11752352	"Layman LC: Mutations in the follicle-stimulating hormone-beta (FSH beta) and FSH receptor genes in mice and humans. Semin Reprod Med. 2000;18(1):5-10.@@Leng N, Dattatreyamurty B, Reichert LE Jr: Identification of amino acid residues 300-315 of the rat FSH receptor as a hormone binding domain: evidence for its interaction with specific regions of FSH beta-subunit. Biochem Biophys Res Commun. 1995 May 16;210(2):392-9.@@Santa Coloma TA, Dattatreyamurty B, Reichert LE Jr: A synthetic peptide corresponding to human FSH beta-subunit 33-53 binds to FSH receptor, stimulates basal estradiol biosynthesis, and is a partial antagonist of FSH. Biochemistry. 1990 Feb 6;29(5):1194-200.@@Dattatreyamurty B, Reichert LE Jr: Identification of regions of the follitropin (FSH) beta-subunit that interact with the N-terminus region (residues 9-30) of the FSH receptor. Mol Cell Endocrinol. 1993 May;93(1):39-46.@@Lindau-Shepard B, Roth KE, Dias JA: Identification of amino acids in the C-terminal region of human follicle-stimulating hormone (FSH) beta-subunit involved in binding to human FSH receptor. Endocrinology. 1994 Sep;135(3):1235-40.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hormones; Gonadotropins; Peptides; Gonadotropins and Antigonadotropins; Hormones; Genito Urinary System and Sex Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Sex Hormones and Modulators of the Genital System; Amino Acids, Peptides, and Proteins; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists"						306	46507385		PA451835	P01225	DAP001029	Urofollitropin	CHEMBL1201520	134404
DB00095	Efalizumab	BE0000516	ITGAL	P20701	ITAL_HUMAN	antibody	19170413; 17053736; 11752352; 15799683	"Frampton JE, Plosker GL: Efalizumab: a review of its use in the management of chronic moderate-to-severe plaque psoriasis. Am J Clin Dermatol. 2009;10(1):51-72. doi: 10.2165/0128071-200910010-00009.@@Descamps V: [Efalizumab]. Ann Dermatol Venereol. 2006 Aug-Sep;133(8-9 Pt 1):666-78.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Wellington K, Perry CM: Efalizumab. Am J Clin Dermatol. 2005;6(2):113-8; discussion 119-20. doi: 10.2165/00128071-200506020-00006."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Antigens, CD11; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; CD11a-directed Antibody Interactions; CD11a-directed Humanized IgG1 Antibody; Blood Proteins"						13093	46505252		PA164748817		DAP001095	Efalizumab	CHEMBL1201575	356988
DB00097	Choriogonadotropin alfa	BE0000134	LHCGR	P22888	LSHR_HUMAN		15967102; 12606382; 17059863	"Bodek G, Vierre S, Rivero-Muller A, Huhtaniemi I, Ziecik AJ, Rahman NA: A novel targeted therapy of Leydig and granulosa cell tumors through the luteinizing hormone receptor using a hecate-chorionic gonadotropin beta conjugate in transgenic mice. Neoplasia. 2005 May;7(5):497-508.@@Gromoll J, Wistuba J, Terwort N, Godmann M, Muller T, Simoni M: A new subclass of the luteinizing hormone/chorionic gonadotropin receptor lacking exon 10 messenger RNA in the New World monkey (Platyrrhini) lineage. Biol Reprod. 2003 Jul;69(1):75-80. Epub 2003 Feb 19.@@Lin W, Bernard MP, Cao D, Myers RV, Kerrigan JE, Moyle WR: Follitropin receptors contain cryptic ligand binding sites. Mol Cell Endocrinol. 2007 Jan 2;260-262:83-92. Epub 2006 Oct 23."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Gonadotropins; Gonadotropins and Antigonadotropins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones						14798	46506863		PA164783947	P01233	DAP001030	Human_chorionic_gonadotropin	CHEMBL1201464	283550
DB00097	Choriogonadotropin alfa	BE0000387	FSHR	P23945	FSHR_HUMAN	binder	9027352; 17059863; 20374735; 11752352	"Jameson JL: Inherited disorders of the gonadotropin hormones. Mol Cell Endocrinol. 1996 Dec 20;125(1-2):143-9.@@Lin W, Bernard MP, Cao D, Myers RV, Kerrigan JE, Moyle WR: Follitropin receptors contain cryptic ligand binding sites. Mol Cell Endocrinol. 2007 Jan 2;260-262:83-92. Epub 2006 Oct 23.@@Tao YX, Segaloff DL: Follicle stimulating hormone receptor mutations and reproductive disorders. Prog Mol Biol Transl Sci. 2009;89:115-31. doi: 10.1016/S1877-1173(09)89005-4. Epub 2009 Oct 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Gonadotropins; Gonadotropins and Antigonadotropins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones						14798	46506863		PA164783947	P01233	DAP001030	Human_chorionic_gonadotropin	CHEMBL1201464	283550
DB00098	Antithymocyte immunoglobulin (rabbit)	BE0000516	ITGAL	P20701	ITAL_HUMAN		12586600	"Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids"						12118	46506920		PA164743704		DAP001300	Anti-thymocyte_globulin		107044
DB00098	Antithymocyte immunoglobulin (rabbit)	BE0000846	CD86	P42081	CD86_HUMAN	binder	12586600	"Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids"						12118	46506920		PA164743704		DAP001300	Anti-thymocyte_globulin		107044
DB00098	Antithymocyte immunoglobulin (rabbit)	BE0003488	CD4	P01730	CD4_HUMAN		12586600	"Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids"						12118	46506920		PA164743704		DAP001300	Anti-thymocyte_globulin		107044
DB00098	Antithymocyte immunoglobulin (rabbit)	BE0003575	ITGB1	P05556	ITB1_HUMAN		12586600	"Monti P, Allavena P, Di Carlo V, Piemonti L: Effects of anti-lymphocytes and anti-thymocytes globulin on human dendritic cells. Int Immunopharmacol. 2003 Feb;3(2):189-96."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Blood; Immune Sera; Serum Globulins; Immunoproteins; Increased T Lymphocyte Destruction; Antibody-Surface Protein Interactions; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Miscellaneous Therapeutic Agents; Immunologic Factors; Fluids and Secretions; Immunoglobulin G; Proteins; Lymphocyte Function Alteration; Immunoglobulins; Complex Mixtures; Selective Immunosuppressants; Biological Products; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serum; Blood Proteins; Body Fluids"						12118	46506920		PA164743704		DAP001300	Anti-thymocyte_globulin		107044
DB00100	Coagulation Factor IX (Recombinant)	BE0000016	F8	P00451	FA8_HUMAN	cofactor	11150722; 12719776; 12826528; 14598591; 16476097; 659613	"Neels JG, Bovenschen N, van Zonneveld AJ, Lenting PJ: Interaction between factor VIII and LDL receptor-related protein. Modulation of coagulation? Trends Cardiovasc Med. 2000 Jan;10(1):8-14.@@Carr ME Jr, Martin EJ, Kuhn JG, Seremetis SV: Effects of recombinant factor VIIa on platelet function and clot structure in blood with deficient prothrombin conversion. Thromb Haemost. 2003 May;89(5):803-11.@@Federici AB: The factor VIII/von Willebrand factor complex: basic and clinical issues. Haematologica. 2003 Jun;88(6):EREP02.@@Kalashnikova LA, Berkovskii AL, Dobrynina LA, Sergeeva EV, Kozlov AA, Aleksandrova EN, Nasonov EL: [Clotting factor VIII in Sneddon syndrome]. Klin Med (Mosk). 2003;81(9):42-5.@@Johansen RF, Sorensen B, Ingerslev J: Acquired haemophilia: dynamic whole blood coagulation utilized to guide haemostatic therapy. Haemophilia. 2006 Mar;12(2):190-7.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics						22522	46508858		PA164744952	P00740	DAP000964	Factor_IX		1300488
DB00100	Coagulation Factor IX (Recombinant)	BE0002110	LRP1	Q07954	LRP1_HUMAN		17139284; 17016423; 12522212	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rohlena J, Kolkman JA, Boertjes RC, Mertens K, Lenting PJ: Residues Phe342-Asn346 of activated coagulation factor IX contribute to the interaction with low density lipoprotein receptor-related protein. J Biol Chem. 2003 Mar 14;278(11):9394-401. Epub 2003 Jan 9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Increased Coagulation Activity; Blood Coagulation Factors; Hemostatics						22522	46508858		PA164744952	P00740	DAP000964	Factor_IX		1300488
DB00102	Becaplermin	BE0000852	PDGFRA	P16234	PGFRA_HUMAN		10070317; 7665222; 12632922; 1702511; 14506245	"Abdiu A, Walz TM, Nishikawa BK, Wingren S, Larsson SE, Wasteson A: Human malignant fibrous histiocytomas in vitro: growth characteristics and their association with expression of mRNA for platelet-derived growth factor, transforming growth factor-alpha and their receptors. Eur J Cancer. 1998 Dec;34(13):2094-100.@@Ebert M, Yokoyama M, Friess H, Kobrin MS, Buchler MW, Korc M: Induction of platelet-derived growth factor A and B chains and over-expression of their receptors in human pancreatic cancer. Int J Cancer. 1995 Sep 4;62(5):529-35.@@Miller-Kasprzak E, Niemir ZI, Czekalski S: [Structure and function of PDGF-R-alpha and its expression in normal kidney and kidney diseases]. Przegl Lek. 2002;59(10):826-31.@@Heidaran MA, Pierce JH, Lombardi D, Ruggiero M, Gutkind JS, Matsui T, Aaronson SA: Deletion or substitution within the alpha platelet-derived growth factor receptor kinase insert domain: effects on functional coupling with intracellular signaling pathways. Mol Cell Biol. 1991 Jan;11(1):134-42.@@Yu J, Liu XW, Kim HR: Platelet-derived growth factor (PDGF) receptor-alpha-activated c-Jun NH2-terminal kinase-1 is critical for PDGF-induced p21WAF1/CIP1 promoter activity independent of p53. J Biol Chem. 2003 Dec 5;278(49):49582-8. Epub 2003 Sep 23."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Acids; Growth Substances; Dermatologicals; DNA-Binding Proteins; Amino Acids, Peptides, and Proteins; Phosphorus Acids; Human Platelet-derived Growth Factor; Proto-Oncogene Proteins c-sis; Platelet-Derived Growth Factor; Phosphorus Compounds; Angiogenesis Modulating Agents; Phosphoric Acids; Proteins; Neoplasm Proteins; Cicatrizants; Stomatological Preparations; Alimentary Tract and Metabolism; Angiogenesis Inducing Agents; Oncogene Proteins; Biological Factors; Peptides; Preparations for Treatment of Wounds and Ulcers; Hematologic Agents; Blood Proteins; Proto-Oncogene Proteins; Acids, Noncarboxylic"						11832	46508246		PA164749511	P01127	DAP000028	Becaplermin	CHEMBL1201556	115238
DB00102	Becaplermin	BE0000910	A2M	P01023	A2MG_HUMAN		1697862; 7541796	"Lizonova A, Bizik J, Grofova M, Vaheri A: Coexpression of tumor-associated alpha 2-macroglobulin and growth factors in human melanoma cell lines. J Cell Biochem. 1990 Aug;43(4):315-25.@@Bonner JC, Osornio-Vargas AR: Differential binding and regulation of platelet-derived growth factor A and B chain isoforms by alpha 2-macroglobulin. J Biol Chem. 1995 Jul 7;270(27):16236-42."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Acids; Growth Substances; Dermatologicals; DNA-Binding Proteins; Amino Acids, Peptides, and Proteins; Phosphorus Acids; Human Platelet-derived Growth Factor; Proto-Oncogene Proteins c-sis; Platelet-Derived Growth Factor; Phosphorus Compounds; Angiogenesis Modulating Agents; Phosphoric Acids; Proteins; Neoplasm Proteins; Cicatrizants; Stomatological Preparations; Alimentary Tract and Metabolism; Angiogenesis Inducing Agents; Oncogene Proteins; Biological Factors; Peptides; Preparations for Treatment of Wounds and Ulcers; Hematologic Agents; Blood Proteins; Proto-Oncogene Proteins; Acids, Noncarboxylic"						11832	46508246		PA164749511	P01127	DAP000028	Becaplermin	CHEMBL1201556	115238
DB00105	Interferon alfa-2b	BE0000661	IFNAR1	P17181	INAR1_HUMAN	binder	17139284; 17016423; 10567921; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Khine AA, Lingwood CA: Functional significance of globotriaosyl ceramide in interferon-alpha(2)/type 1 interferon receptor-mediated antiviral activity. J Cell Physiol. 2000 Jan;182(1):97-108.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Myelosuppressive Agents; Antiviral Agents; Cancer immunotherapy; Intercellular Signaling Peptides and Proteins; Adjuvants, Immunologic; Interferon Type I; Interferon-alpha; Amino Acids, Peptides, and Proteins; Immunotherapy; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Proteins; Interferons; Antineoplastic Agents; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Peptides; Cytokines; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Interferon alpha; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Alfa Interferons"						1751	46507075		PA164783990	P01563	DAP001285	Interferon_alfa-2b		5880
DB00106	Abarelix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	16985933	Debruyne FM: Gonadotropin-releasing hormone antagonist in the management of prostate cancer. Rev Urol. 2004;6 Suppl 7:S25-32.	Approved; Investigational; Withdrawn	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Peptides; Hormone Antagonists; Hormone Antagonists and Related Agents; Amino Acids, Peptides, and Proteins; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O						46508237	D02738	PA164754915		DAP000094	Abarelix	CHEMBL1252	301739
DB00107	Oxytocin	BE0000844	OXTR	P30559	OXYR_HUMAN	agonist	20108008; 20104850; 18655883; 15646817; 21208749; 30253045	"Spyranti Z, Fragiadaki M, Magafa V, Borovickova L, Spyroulias GA, Cordopatis P, Slaninova J: In position 7 L- and D-Tic-substituted oxytocin and deamino oxytocin: NMR study and conformational insights. Amino Acids. 2010 Jul;39(2):539-48. doi: 10.1007/s00726-009-0470-1. Epub 2010 Jan 27.@@Frantz MC, Rodrigo J, Boudier L, Durroux T, Mouillac B, Hibert M: Subtlety of the structure-affinity and structure-efficacy relationships around a nonpeptide oxytocin receptor agonist. J Med Chem. 2010 Feb 25;53(4):1546-62. doi: 10.1021/jm901084f.@@Gimpl G, Reitz J, Brauer S, Trossen C: Oxytocin receptors: ligand binding, signalling and cholesterol dependence. Prog Brain Res. 2008;170:193-204. doi: 10.1016/S0079-6123(08)00417-2.@@Ahn TG, Han SJ, Cho YS, An TH, Pak SC, Flouret G: In vivo activity of the potent oxytocin antagonist on uterine activity in the rat. In Vivo. 2004 Nov-Dec;18(6):763-6.@@Furman DJ, Chen MC, Gotlib IH: Variant in oxytocin receptor gene is associated with amygdala volume. Psychoneuroendocrinology. 2011 Jul;36(6):891-7. doi: 10.1016/j.psyneuen.2010.12.004. Epub 2011 Jan 3.@@Ding C, Leow MK, Magkos F: Oxytocin in metabolic homeostasis: implications for obesity and diabetes management. Obes Rev. 2019 Jan;20(1):22-40. doi: 10.1111/obr.12757. Epub 2018 Sep 25."	Approved; Vet_approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Oxytocin, analogs & derivatives; QTc Prolonging Agents; Uterotonic agents; Pituitary Hormones, Posterior; Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Genito Urinary System and Sex Hormones; Hormones; Potential QTc-Prolonging Agents; Posterior Pituitary Lobe Hormones; Peptides; Peptide Hormones; Increased Uterine Smooth Muscle Contraction or Tone; Pituitary and Hypothalamic Hormones and Analogues; Pituitary Hormones; Oxytocin and Analogues; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"						7375	46506775	D00089	PA450760		DAP001156	Oxytocin	CHEMBL395429	7824
DB00108	Natalizumab	BE0000590	ITGA4	P13612	ITA4_HUMAN	antibody	16268663; 16634035; 17461891; 9389694; 11752352	"Sheremata WA, Minagar A, Alexander JS, Vollmer T: The role of alpha-4 integrin in the aetiology of multiple sclerosis: current knowledge and therapeutic implications. CNS Drugs. 2005;19(11):909-22.@@Niino M, Bodner C, Simard ML, Alatab S, Gano D, Kim HJ, Trigueiro M, Racicot D, Guerette C, Antel JP, Fournier A, Grand'Maison F, Bar-Or A: Natalizumab effects on immune cell responses in multiple sclerosis. Ann Neurol. 2006 May;59(5):748-54.@@Stuve O, Bennett JL: Pharmacological properties, toxicology and scientific rationale for the use of natalizumab (Tysabri) in inflammatory diseases. CNS Drug Rev. 2007 Spring;13(1):79-95.@@Craddock CF, Nakamoto B, Andrews RG, Priestley GV, Papayannopoulou T: Antibodies to VLA4 integrin mobilize long-term repopulating cells and augment cytokine-induced mobilization in primates and mice. Blood. 1997 Dec 15;90(12):4779-88.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunomodulatory Agents; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Integrin Receptor Antagonist; Multiple Sclerosis; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						12577	46505849		PA164747191		DAP001094	Natalizumab	CHEMBL1201607	354770
DB00111	Daclizumab	BE0000658	IL2RA	P01589	IL2RA_HUMAN	antibody	16304857; 10607689; 16908318; 8600944; 17564638; 19788505; 11752352	"Shamsi TS, Irfan M, Farzana T, Ansari SH, Ahmad G, Shakoor N, Baig MI: Allogeneic peripheral blood stem cell transplant (PBSCT) using anti-IL2 receptor antibody Daclizumab for the prevention of acute graft versus host disease in steroid refractory Diamond Blackfan anaemia: a case report. J Pak Med Assoc. 2005 Oct;55(10):454-5.@@Przepiorka D, Kernan NA, Ippoliti C, Papadopoulos EB, Giralt S, Khouri I, Lu JG, Gajewski J, Durett A, Cleary K, Champlin R, Andersson BS, Light S: Daclizumab, a humanized anti-interleukin-2 receptor alpha chain antibody, for treatment of acute graft-versus-host disease. Blood. 2000 Jan 1;95(1):83-9.@@Garcia CD, Bittencourt VB, Tumelero A, Antonello JS, Malheiros D, Garcia VD: Plasmapheresis for recurrent posttransplant focal segmental glomerulosclerosis. Transplant Proc. 2006 Jul-Aug;38(6):1904-5.@@Krouwels FH, van der Heijden JF, Lutter R, van Neerven RJ, Jansen HM, Out TA: Glucocorticosteroids affect functions of airway- and blood-derived human T-cell clones, favoring the Th1 profile through two mechanisms. Am J Respir Cell Mol Biol. 1996 Apr;14(4):388-97.@@Patlolla V, Zhong X, Reed GW, Mandelbrot DA: Efficacy of anti-IL-2 receptor antibodies compared to no induction and to antilymphocyte antibodies in renal transplantation. Am J Transplant. 2007 Jul;7(7):1832-42.@@Monti P, Brigatti C, Heninger AK, Scirpoli M, Bonifacio E: Disengaging the IL-2 receptor with daclizumab enhances IL-7-mediated proliferation of CD4(+) and CD8(+) T cells. Am J Transplant. 2009 Dec;9(12):2727-35. doi: 10.1111/j.1600-6143.2009.02825.x. Epub 2009 Sep 25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors; Antibodies; Immunotherapy; Immunologic Factors; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Immunoglobulins; Interleukin-2 Receptor Antagonist; Interleukin-2 Receptor Blocking Antibody; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins"						22834	46504469	D03639	PA164764446	P01857	DAP000389	Daclizumab	CHEMBL1201605	190353
DB00111	Daclizumab	BE0000651	IL2RB	P14784	IL2RB_HUMAN	antibody	12372041; 15022409; 15814281; 2571203; 2647626; 11752352	"Light JA, Sasaki TM, Ghasemian R, Barhyte DY, Fowlkes DL: Daclizumab induction/tacrolimus sparing: a randomized prospective trial in renal transplantation. Clin Transplant. 2002;16 Suppl 7:30-3.@@Aguillon JC, Contreras J, Dotte A, Cruzat A, Catalan D, Salazar L, Molina MC, Guerrero J, Lopez M, Soto L, Salazar-Onfray F, Cuchacovich M: [New immunological weapons for medicine in the 21st Century: biological therapy based on the use of the latest generation monoclonal antibodies]. Rev Med Chil. 2003 Dec;131(12):1445-53.@@Forrest K, Logan B, Strange J, Roszman TL, Goebel J: Daclizumab therapy in kidney transplantation-different mechanisms of action in- versus ex-vivo? Transpl Immunol. 2005 Mar;14(1):43-7. Epub 2005 Jan 4.@@Ramos EL, Milford EL, Kirkman RL, Tilney NL, Strom TB, Shapiro ME, Waldmann TA, Wood IG, Rollins MR, Carpenter CB: Differential IL-2 receptor expression in renal allograft recipients treated with an anti-IL-2-receptor antibody. Transplantation. 1989 Sep;48(3):415-20.@@Burkhardt K, Mandel TE, Diamantstein T, Loughnan MS: Anti-IL-2 receptor monoclonal antibody AMT-13 increases soluble IL-2 receptor levels in vivo. Immunology. 1989 Feb;66(2):183-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors; Antibodies; Immunotherapy; Immunologic Factors; Interleukin 2 Receptor-directed Antibody Interactions; Proteins; Immunoglobulins; Interleukin-2 Receptor Antagonist; Interleukin-2 Receptor Blocking Antibody; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins"						22834	46504469	D03639	PA164764446	P01857	DAP000389	Daclizumab	CHEMBL1201605	190353
DB00113	Technetium Tc-99m arcitumomab	BE0000107	CEACAM1	P13688	CEAM1_HUMAN	other/unknown	12865871; 9389396	"Fuster D, Maurel J, Muxi A, Setoain X, Ayuso C, Martin F, Ortega ML, Fuertes S, Pons F: Is there a role for (99m)Tc-anti-CEA monoclonal antibody imaging in the diagnosis of recurrent colorectal carcinoma? Q J Nucl Med. 2003 Jun;47(2):109-15.@@Hughes K, Pinsky CM, Petrelli NJ, Moffat FL, Patt YZ, Hammershaimb L, Goldenberg DM: Use of carcinoembryonic antigen radioimmunodetection and computed tomography for predicting the resectability of recurrent colorectal cancer. Ann Surg. 1997 Nov;226(5):621-31."	Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Diagnostic Radiopharmaceuticals; Immunoglobulins; Organometallic Compounds; Serum Globulins; Technetium (99Mtc) Compounds; Immunoproteins; Tumour Detection; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							46507781		PA164746540		DAP001303	Arcitumomab	CHEMBL2108253	230435
DB00114	Pyridoxal phosphate	BE0000102	AGXT2	Q9BYV1	AGT2_HUMAN	cofactor	7592550; 6703688	"Lee IS, Muragaki Y, Ideguchi T, Hase T, Tsuji M, Ooshima A, Okuno E, Kido R: Molecular cloning and sequencing of a cDNA encoding alanine-glyoxylate aminotransferase 2 from rat kidney. J Biochem. 1995 Apr;117(4):856-62.@@Takada Y, Mori T, Noguchi T: The effect of vitamin B6 deficiency on alanine: glyoxylate aminotransferase isoenzymes in rat liver. Arch Biochem Biophys. 1984 Feb 15;229(1):1-6."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000392	KYNU	Q16719	KYNU_HUMAN	cofactor	14756555; 12204580; 17300176; 11985583	"Momany C, Levdikov V, Blagova L, Lima S, Phillips RS: Three-dimensional structure of kynureninase from Pseudomonas fluorescens. Biochemistry. 2004 Feb 10;43(5):1193-203.@@Rooseboom M, Vermeulen NP, Groot EJ, Commandeur JN: Tissue distribution of cytosolic beta-elimination reactions of selenocysteine Se-conjugates in rat and human. Chem Biol Interact. 2002 Aug 15;140(3):243-64.@@Lima S, Khristoforov R, Momany C, Phillips RS: Crystal structure of Homo sapiens kynureninase. Biochemistry. 2007 Mar 13;46(10):2735-44. Epub 2007 Feb 15.@@Walsh HA, Botting NP: Purification and biochemical characterization of some of the properties of recombinant human kynureninase. Eur J Biochem. 2002 Apr;269(8):2069-74."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000331	SHMT1	P34896	GLYC_HUMAN	cofactor	7526359; 9305893; 3143355; 10592235	"Trakatellis A, Dimitriadou A, Exindari M, Christodoulou D, Malissiovas N, Antoniadis A, Haitoglou K: Effect of combination of deoxypyridoxine with known anti-proliferative or immunosuppressive agents on lymphocyte serine hydroxymethyltransferase. Postgrad Med J. 1994;70 Suppl 1:S89-92.@@Jagath JR, Sharma B, Rao NA, Savithri HS: The role of His-134, -147, and -150 residues in subunit assembly, cofactor binding, and catalysis of sheep liver cytosolic serine hydroxymethyltransferase. J Biol Chem. 1997 Sep 26;272(39):24355-62.@@Bourguignon J, Neuburger M, Douce R: Resolution and characterization of the glycine-cleavage reaction in pea leaf mitochondria. Properties of the forward reaction catalysed by glycine decarboxylase and serine hydroxymethyltransferase. Biochem J. 1988 Oct 1;255(1):169-78.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000151	NFS1	Q9Y697	NFS1_HUMAN	cofactor	12119030; 17469805; 16310786; 12860127; 12196163	"Ollagnier-De-Choudens S, Mulliez E, Hewitson KS, Fontecave M: Biotin synthase is a pyridoxal phosphate-dependent cysteine desulfurase. Biochemistry. 2002 Jul 23;41(29):9145-52.@@You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Forlani F, Cereda A, Freuer A, Nimtz M, Leimkuhler S, Pagani S: The cysteine-desulfurase IscS promotes the production of the rhodanese RhdA in the persulfurated form. FEBS Lett. 2005 Dec 19;579(30):6786-90. Epub 2005 Nov 21.@@Cupp-Vickery JR, Urbina H, Vickery LE: Crystal structure of IscS, a cysteine desulfurase from Escherichia coli. J Mol Biol. 2003 Jul 25;330(5):1049-59.@@Frazzon J, Fick JR, Dean DR: Biosynthesis of iron-sulphur clusters is a complex and highly conserved process. Biochem Soc Trans. 2002 Aug;30(4):680-5."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000404	ODC1	P11926	DCOR_HUMAN	cofactor	12672797; 12627959; 15476392; 12460114; 11683631	"Jackson LK, Goldsmith EJ, Phillips MA: X-ray structure determination of Trypanosoma brucei ornithine decarboxylase bound to D-ornithine and to G418: insights into substrate binding and ODC conformational flexibility. J Biol Chem. 2003 Jun 13;278(24):22037-43. Epub 2003 Apr 2.@@Jackson LK, Brooks HB, Myers DP, Phillips MA: Ornithine decarboxylase promotes catalysis by binding the carboxylate in a buried pocket containing phenylalanine 397. Biochemistry. 2003 Mar 18;42(10):2933-40.@@Jackson LK, Baldwin J, Akella R, Goldsmith EJ, Phillips MA: Multiple active site conformations revealed by distant site mutation in ornithine decarboxylase. Biochemistry. 2004 Oct 19;43(41):12990-9.@@Khomutov AR: Inhibition of enzymes of polyamine biosynthesis by substrate-like O-substituted hydroxylamines. Biochemistry (Mosc). 2002 Oct;67(10):1159-67.@@Myers DP, Jackson LK, Ipe VG, Murphy GE, Phillips MA: Long-range interactions in the dimer interface of ornithine decarboxylase are important for enzyme function. Biochemistry. 2001 Nov 6;40(44):13230-6."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000253	ABAT	P80404	GABT_HUMAN	inhibitor	14534310; 17531224; 14567543; 16096275; 15723541; 11752352	"Storici P, De Biase D, Bossa F, Bruno S, Mozzarelli A, Peneff C, Silverman RB, Schirmer T: Structures of gamma-aminobutyric acid (GABA) aminotransferase, a pyridoxal 5'-phosphate, and [2Fe-2S] cluster-containing enzyme, complexed with gamma-ethynyl-GABA and with the antiepilepsy drug vigabatrin. J Biol Chem. 2004 Jan 2;279(1):363-73. Epub 2003 Oct 8.@@Hwang IK, Yoo KY, Kim do H, Lee BH, Kwon YG, Won MH: Time course of changes in pyridoxal 5'-phosphate (vitamin B6 active form) and its neuroprotection in experimental ischemic damage. Exp Neurol. 2007 Jul;206(1):114-25. Epub 2007 Apr 24.@@Sulaiman SA, Suliman FE, Barghouthi S: Kinetic studies on the inhibition of GABA-T by gamma-vinyl GABA and taurine. J Enzyme Inhib Med Chem. 2003 Aug;18(4):297-301.@@Markova M, Peneff C, Hewlins MJ, Schirmer T, John RA: Determinants of substrate specificity in omega-aminotransferases. J Biol Chem. 2005 Oct 28;280(43):36409-16. Epub 2005 Aug 11.@@Liu W, Peterson PE, Langston JA, Jin X, Zhou X, Fisher AJ, Toney MD: Kinetic and crystallographic analysis of active site mutants of Escherichia coli gamma-aminobutyrate aminotransferase. Biochemistry. 2005 Mar 1;44(8):2982-92.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000778	SGPL1	O95470	SGPL1_HUMAN	cofactor	15522238; 11377878	"Ikeda M, Kihara A, Igarashi Y: Sphingosine-1-phosphate lyase SPL is an endoplasmic reticulum-resident, integral membrane protein with the pyridoxal 5'-phosphate binding domain exposed to the cytosol. Biochem Biophys Res Commun. 2004 Dec 3;325(1):338-43.@@Bobbin RP: PPADS, an ATP antagonist, attenuates the effects of a moderately intense sound on cochlear mechanics. Hear Res. 2001 Jun;156(1-2):10-6."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000273	CCBL1	Q16773	KAT1_HUMAN	cofactor	12167474; 12850267; 16846239; 12798391; 16463021	"Cooper AJ, Bruschi SA, Anders MW: Toxic, halogenated cysteine S-conjugates and targeting of mitochondrial enzymes of energy metabolism. Biochem Pharmacol. 2002 Aug 15;64(4):553-64.@@Mosca M, Croci C, Mostardini M, Breton J, Malyszko J, Avanzi N, Toma S, Benatti L, Gatti S: Tissue expression and translational control of rat kynurenine aminotransferase/glutamine transaminase K mRNAs. Biochim Biophys Acta. 2003 Jul 9;1628(1):1-10.@@Zhang L, Cooper AJ, Krasnikov BF, Xu H, Bubber P, Pinto JT, Gibson GE, Hanigan MH: Cisplatin-induced toxicity is associated with platinum deposition in mouse kidney mitochondria in vivo and with selective inactivation of the alpha-ketoglutarate dehydrogenase complex in LLC-PK1 cells. Biochemistry. 2006 Jul 25;45(29):8959-71.@@Venhorst J, ter Laak AM, Meijer M, van de Wetering I, Commandeur JN, Rooseboom M, Vermeulen NP: Modeling and molecular dynamics of glutamine transaminase K/cysteine conjugate beta-lyase. J Mol Graph Model. 2003 Sep;22(1):55-70.@@Cooper AJ, Pinto JT: Cysteine S-conjugate beta-lyases. Amino Acids. 2006 Feb;30(1):1-15. Epub 2006 Feb 6."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000660	SPTLC2	O15270	SPTC2_HUMAN	cofactor	12782147; 11726713; 11781309; 11279212; 11171191	"Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Tamura K, Mitsuhashi N, Hara-Nishimura I, Imai H: Characterization of an Arabidopsis cDNA encoding a subunit of serine palmitoyltransferase, the initial enzyme in sphingolipid biosynthesis. Plant Cell Physiol. 2001 Nov;42(11):1274-81.@@Gable K, Han G, Monaghan E, Bacikova D, Natarajan M, Williams R, Dunn TM: Mutations in the yeast LCB1 and LCB2 genes, including those corresponding to the hereditary sensory neuropathy type I mutations, dominantly inactivate serine palmitoyltransferase. J Biol Chem. 2002 Mar 22;277(12):10194-200. Epub 2002 Jan 7.@@Ikushiro H, Hayashi H, Kagamiyama H: A water-soluble homodimeric serine palmitoyltransferase from Sphingomonas paucimobilis EY2395T strain. Purification, characterization, cloning, and overproduction. J Biol Chem. 2001 May 25;276(21):18249-56. Epub 2001 Mar 12.@@Tamura K, Nishiura H, Mori J, Imai H: Cloning and characterization of a cDNA encoding serine palmitoyltransferase in Arabidopsis thaliana. Biochem Soc Trans. 2000 Dec;28(6):745-7."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000518	GCAT	O75600	KBL_HUMAN	cofactor	11318637	"Schmidt A, Sivaraman J, Li Y, Larocque R, Barbosa JA, Smith C, Matte A, Schrag JD, Cygler M: Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism. Biochemistry. 2001 May 1;40(17):5151-60."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000618	GLDC	P23378	GCSP_HUMAN	cofactor	15791207; 16228305	"Nakai T, Nakagawa N, Maoka N, Masui R, Kuramitsu S, Kamiya N: Structure of P-protein of the glycine cleavage system: implications for nonketotic hyperglycinemia. EMBO J. 2005 Apr 20;24(8):1523-36. Epub 2005 Mar 24.@@Igamberdiev AU, Ivlev AA, Bykova NV, Threlkeld CN, Lea PJ, Gardestrom P: Decarboxylation of glycine contributes to carbon isotope fractionation in photosynthetic organisms. Photosynth Res. 2001;67(3):177-84."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000316	AGXT	P21549	SPYA_HUMAN	cofactor	16971151	"Coulter-Mackie MB, Lian Q: Consequences of missense mutations for dimerization and turnover of alanine:glyoxylate aminotransferase: study of a spectrum of mutations. Mol Genet Metab. 2006 Dec;89(4):349-59. Epub 2006 Sep 12."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000278	PDXP	Q96GD0	PLPP_HUMAN	cofactor	14522954; 11000053; 17531224; 16336786; 16336194	"Jang YM, Kim DW, Kang TC, Won MH, Baek NI, Moon BJ, Choi SY, Kwon OS: Human pyridoxal phosphatase. Molecular cloning, functional expression, and tissue distribution. J Biol Chem. 2003 Dec 12;278(50):50040-6. Epub 2003 Sep 30.@@McCarty MF: Increased homocyst(e)ine associated with smoking, chronic inflammation, and aging may reflect acute-phase induction of pyridoxal phosphatase activity. Med Hypotheses. 2000 Oct;55(4):289-93.@@Hwang IK, Yoo KY, Kim do H, Lee BH, Kwon YG, Won MH: Time course of changes in pyridoxal 5'-phosphate (vitamin B6 active form) and its neuroprotection in experimental ischemic damage. Exp Neurol. 2007 Jul;206(1):114-25. Epub 2007 Apr 24.@@Kim DW, Eum WS, Choi HS, Kim SY, An JJ, Lee SH, Sohn EJ, Hwang SI, Kwon OS, Kang TC, Won MH, Cho SW, Lee KS, Park J, Choi SY: Human brain pyridoxal-5'-phosphate phosphatase: production and characterization of monoclonal antibodies. J Biochem Mol Biol. 2005 Nov 30;38(6):703-8.@@Tirrell IM, Wall JL, Daley CJ, Denial SJ, Tennis FG, Galens KG, O'Handley SF: YZGD from Paenibacillus thiaminolyticus, a pyridoxal phosphatase of the HAD (haloacid dehalogenase) superfamily and a versatile member of the Nudix (nucleoside diphosphate x) hydrolase superfamily. Biochem J. 2006 Mar 15;394(Pt 3):665-74."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000441	SPTLC1	O15269	SPTC1_HUMAN	cofactor	12782147; 11781309; 11279212	"Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Gable K, Han G, Monaghan E, Bacikova D, Natarajan M, Williams R, Dunn TM: Mutations in the yeast LCB1 and LCB2 genes, including those corresponding to the hereditary sensory neuropathy type I mutations, dominantly inactivate serine palmitoyltransferase. J Biol Chem. 2002 Mar 22;277(12):10194-200. Epub 2002 Jan 7.@@Ikushiro H, Hayashi H, Kagamiyama H: A water-soluble homodimeric serine palmitoyltransferase from Sphingomonas paucimobilis EY2395T strain. Purification, characterization, cloning, and overproduction. J Biol Chem. 2001 May 25;276(21):18249-56. Epub 2001 Mar 12."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000517	BCAT1	P54687	BCAT1_HUMAN	cofactor	12269802	"Yennawar NH, Conway ME, Yennawar HP, Farber GK, Hutson SM: Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms. Biochemistry. 2002 Oct 1;41(39):11592-601."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002150	PYGB	P11216	PYGB_HUMAN	cofactor	7916624; 8254668	"Hudson JW, Hefferon KL, Crerar MM: Comparative analysis of species-independent, isozyme-specific amino-acid substitutions in mammalian muscle, brain and liver glycogen phosphorylases. Biochim Biophys Acta. 1993 Jul 10;1164(2):197-208. doi: 10.1016/0167-4838(93)90248-p.@@Hudson JW, Golding GB, Crerar MM: Evolution of allosteric control in glycogen phosphorylase. J Mol Biol. 1993 Dec 5;234(3):700-21. doi: 10.1006/jmbi.1993.1621."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000916	PYGM	P11217	PYGM_HUMAN	cofactor	12460107; 11052666; 11228757; 11508701; 12217700	"Livanova NB, Chebotareva NA, Eronina TB, Kurganov BI: Pyridoxal 5'-phosphate as a catalytic and conformational cofactor of muscle glycogen phosphorylase B. Biochemistry (Mosc). 2002 Oct;67(10):1089-98.@@Kurganov BI, Kornilaev BA, Chebotareva NA, Malikov VP, Orlov VN, Lyubarev AE, Livanova NB: Dissociative mechanism of thermal denaturation of rabbit skeletal muscle glycogen phosphorylase b. Biochemistry. 2000 Oct 31;39(43):13144-52.@@Okada M, Shibuya M, Yamamoto E, Murakami Y: Effect of diabetes on vitamin B6 requirement in experimental animals. Diabetes Obes Metab. 1999 Jul;1(4):221-5.@@Okada M, Goda H, Kondo Y, Murakami Y, Shibuya M: Effect of exercise on the metabolism of vitamin B6 and some PLP-dependent enzymes in young rats fed a restricted vitamin B6 diet. J Nutr Sci Vitaminol (Tokyo). 2001 Apr;47(2):116-21.@@Geremia S, Campagnolo M, Schinzel R, Johnson LN: Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase. J Mol Biol. 2002 Sep 13;322(2):413-23."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002151	DDC	P20711	DDC_HUMAN	cofactor	6983619; 7567987; 11085948; 20403077	"Rahman MK, Nagatsu T, Sakurai T, Hori S, Abe M, Matsuda M: Effect of pyridoxal phosphate deficiency on aromatic L-amino acid decarboxylase activity with L-DOPA and L-5-hydroxytryptophan as substrates in rats. Jpn J Pharmacol. 1982 Oct;32(5):803-11.@@Rorsman F, Husebye ES, Winqvist O, Bjork E, Karlsson FA, Kampe O: Aromatic-L-amino-acid decarboxylase, a pyridoxal phosphate-dependent enzyme, is a beta-cell autoantigen. Proc Natl Acad Sci U S A. 1995 Sep 12;92(19):8626-9.@@Bertoldi M, Borri Voltattorni C: Reaction of dopa decarboxylase with L-aromatic amino acids under aerobic and anaerobic conditions. Biochem J. 2000 Dec 1;352 Pt 2:533-8.@@Allen GF, Neergheen V, Oppenheim M, Fitzgerald JC, Footitt E, Hyland K, Clayton PT, Land JM, Heales SJ: Pyridoxal 5'-phosphate deficiency causes a loss of aromatic L-amino acid decarboxylase in patients and human neuroblastoma cells, implications for aromatic L-amino acid decarboxylase and vitamin B(6) deficiency states. J Neurochem. 2010 Jul;114(1):87-96. doi: 10.1111/j.1471-4159.2010.06742.x. Epub 2010 Apr 9."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002162	CCBL2	Q6YP21	KAT3_HUMAN	cofactor	27314340; 24739074	"Nematollahi A, Sun G, Jayawickrama GS, Church WB: Kynurenine Aminotransferase Isozyme Inhibitors: A Review. Int J Mol Sci. 2016 Jun 15;17(6). pii: ijms17060946. doi: 10.3390/ijms17060946.@@Nematollahi A, Church WB, Nadvi NA, Gorrell MD, Sun G: Homology modeling of human kynurenine aminotransferase III and observations on inhibitor binding using molecular docking. Cent Nerv Syst Agents Med Chem. 2014;14(1):2-9. doi: 10.2174/1871524914666140416095523."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002163	GADL1	Q6ZQY3	GADL1_HUMAN	cofactor	23038267	"Liu P, Ge X, Ding H, Jiang H, Christensen BM, Li J: Role of glutamate decarboxylase-like protein 1 (GADL1) in taurine biosynthesis. J Biol Chem. 2012 Nov 30;287(49):40898-906. doi: 10.1074/jbc.M112.393728. Epub 2012 Oct 4."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000292	SHMT2	P34897	GLYM_HUMAN	cofactor	15865438; 11877399; 17482557; 17651438; 16980404; 7526359; 9305893; 3143355	"Bhavani S, Trivedi V, Jala VR, Subramanya HS, Kaul P, Prakash V, Appaji Rao N, Savithri HS: Role of Lys-226 in the catalytic mechanism of Bacillus stearothermophilus serine hydroxymethyltransferase--crystal structure and kinetic studies. Biochemistry. 2005 May 10;44(18):6929-37.@@Trivedi V, Gupta A, Jala VR, Saravanan P, Rao GS, Rao NA, Savithri HS, Subramanya HS: Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J Biol Chem. 2002 May 10;277(19):17161-9. Epub 2002 Feb 27.@@Perry C, Yu S, Chen J, Matharu KS, Stover PJ: Effect of vitamin B6 availability on serine hydroxymethyltransferase in MCF-7 cells. Arch Biochem Biophys. 2007 Jun 1;462(1):21-7. Epub 2007 Apr 20.@@Rajaram V, Bhavani BS, Kaul P, Prakash V, Appaji Rao N, Savithri HS, Murthy MR: Structure determination and biochemical studies on Bacillus stearothermophilus E53Q serine hydroxymethyltransferase and its complexes provide insights on function and enzyme memory. FEBS J. 2007 Aug;274(16):4148-60. Epub 2007 Jul 25.@@Mukherjee M, Sievers SA, Brown MT, Johnson PJ: Identification and biochemical characterization of serine hydroxymethyl transferase in the hydrogenosome of Trichomonas vaginalis. Eukaryot Cell. 2006 Dec;5(12):2072-8. Epub 2006 Sep 15.@@Trakatellis A, Dimitriadou A, Exindari M, Christodoulou D, Malissiovas N, Antoniadis A, Haitoglou K: Effect of combination of deoxypyridoxine with known anti-proliferative or immunosuppressive agents on lymphocyte serine hydroxymethyltransferase. Postgrad Med J. 1994;70 Suppl 1:S89-92.@@Jagath JR, Sharma B, Rao NA, Savithri HS: The role of His-134, -147, and -150 residues in subunit assembly, cofactor binding, and catalysis of sheep liver cytosolic serine hydroxymethyltransferase. J Biol Chem. 1997 Sep 26;272(39):24355-62.@@Bourguignon J, Neuburger M, Douce R: Resolution and characterization of the glycine-cleavage reaction in pea leaf mitochondria. Properties of the forward reaction catalysed by glycine decarboxylase and serine hydroxymethyltransferase. Biochem J. 1988 Oct 1;255(1):169-78."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002166	GPT2	Q8TD30	ALAT2_HUMAN	cofactor	241701	"Welch S: Comparative studies on the human glutamate-pyruvate transaminase phenotypes--GPT 1, GPT 2-1, GPT 2. Humangenetik. 1975 Sep 20;30(3):237-49."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002167	MOCOS	Q96EN8	MOCOS_HUMAN	cofactor	15561708; 16784786; 11886751; 11553608	"Heidenreich T, Wollers S, Mendel RR, Bittner F: Characterization of the NifS-like domain of ABA3 from Arabidopsis thaliana provides insight into the mechanism of molybdenum cofactor sulfuration. J Biol Chem. 2005 Feb 11;280(6):4213-8. Epub 2004 Nov 22.@@Mendel RR, Bittner F: Cell biology of molybdenum. Biochim Biophys Acta. 2006 Jul;1763(7):621-35. Epub 2006 May 12.@@Anantharaman V, Aravind L: MOSC domains: ancient, predicted sulfur-carrier domains, present in diverse metal-sulfur cluster biosynthesis proteins including Molybdenum cofactor sulfurases. FEMS Microbiol Lett. 2002 Jan 22;207(1):55-61.@@Bittner F, Oreb M, Mendel RR: ABA3 is a molybdenum cofactor sulfurase required for activation of aldehyde oxidase and xanthine dehydrogenase in Arabidopsis thaliana. J Biol Chem. 2001 Nov 2;276(44):40381-4. Epub 2001 Sep 11."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0000388	SRR	Q9GZT4	SRR_HUMAN	cofactor	16289454; 16185077; 15306409; 12560076; 12596860	"Hashimoto A, Yoshikawa M: Effect of aminooxyacetic acid on extracellular level of D-serine in rat striatum: an in vivo microdialysis study. Eur J Pharmacol. 2005 Nov 21;525(1-3):91-3. Epub 2005 Nov 14.@@Strisovsky K, Jiraskova J, Mikulova A, Rulisek L, Konvalinka J: Dual substrate and reaction specificity in mouse serine racemase: identification of high-affinity dicarboxylate substrate and inhibitors and analysis of the beta-eliminase activity. Biochemistry. 2005 Oct 4;44(39):13091-100.@@Schell MJ: The N-methyl D-aspartate receptor glycine site and D-serine metabolism: an evolutionary perspective. Philos Trans R Soc Lond B Biol Sci. 2004 Jun 29;359(1446):943-64.@@Strisovsky K, Jiraskova J, Barinka C, Majer P, Rojas C, Slusher BS, Konvalinka J: Mouse brain serine racemase catalyzes specific elimination of L-serine to pyruvate. FEBS Lett. 2003 Jan 30;535(1-3):44-8.@@Uo T, Yoshimura T, Nishiyama T, Esaki N: Gene cloning, purification, and characterization of 2,3-diaminopropionate ammonia-lyase from Escherichia coli. Biosci Biotechnol Biochem. 2002 Dec;66(12):2639-44."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00114	Pyridoxal phosphate	BE0002172	SPTLC3	Q9NUV7	SPTC3_HUMAN	cofactor	22616865; 12782147; 19648650; 19416851	"Lowther J, Naismith JH, Dunn TM, Campopiano DJ: Structural, mechanistic and regulatory studies of serine palmitoyltransferase. Biochem Soc Trans. 2012 Jun 1;40(3):547-54. doi: 10.1042/BST20110769.@@Hanada K: Serine palmitoyltransferase, a key enzyme of sphingolipid metabolism. Biochim Biophys Acta. 2003 Jun 10;1632(1-3):16-30.@@Hornemann T, Penno A, Rutti MF, Ernst D, Kivrak-Pfiffner F, Rohrer L, von Eckardstein A: The SPTLC3 subunit of serine palmitoyltransferase generates short chain sphingoid bases. J Biol Chem. 2009 Sep 25;284(39):26322-30. doi: 10.1074/jbc.M109.023192. Epub 2009 Aug 1.@@Han G, Gupta SD, Gable K, Niranjanakumari S, Moitra P, Eichler F, Brown RH Jr, Harmon JM, Dunn TM: Identification of small subunits of mammalian serine palmitoyltransferase that confer distinct acyl-CoA substrate specificities. Proc Natl Acad Sci U S A. 2009 May 19;106(20):8186-91. doi: 10.1073/pnas.0811269106. Epub 2009 May 5."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00115	Cyanocobalamin	BE0000734	MTR	Q99707	METH_HUMAN	cofactor	19904199; 18709879; 22254022	"Stover PJ: Vitamin B12 and older adults. Curr Opin Clin Nutr Metab Care. 2010 Jan;13(1):24-7. doi: 10.1097/MCO.0b013e328333d157.@@Allen LH: Causes of vitamin B12 and folate deficiency. Food Nutr Bull. 2008 Jun;29(2 Suppl):S20-34; discussion S35-7.@@O'Leary F, Samman S: Vitamin B12 in health and disease. Nutrients. 2010 Mar;2(3):299-316. doi: 10.3390/nu2030299. Epub 2010 Mar 5."	Approved; Nutraceutical	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2					4991	46509031	D00166	PA451892			Cyanocobalamin	CHEMBL2110563	11248
DB00115	Cyanocobalamin	BE0000763	MTRR	Q9UBK8	MTRR_HUMAN	cofactor	15979034; 15612980; 17611986	"O'Leary VB, Mills JL, Pangilinan F, Kirke PN, Cox C, Conley M, Weiler A, Peng K, Shane B, Scott JM, Parle-McDermott A, Molloy AM, Brody LC: Analysis of methionine synthase reductase polymorphisms for neural tube defects risk association. Mol Genet Metab. 2005 Jul;85(3):220-7. Epub 2005 Mar 17.@@Miriuka SG, Langman LJ, Evrovski J, Miner SE, D'Mello N, Delgado DH, Wong BY, Ross HJ, Cole DE: Genetic polymorphisms predisposing to hyperhomocysteinemia in cardiac transplant patients. Transpl Int. 2005 Jan;18(1):29-35.@@Berkun Y, Abou Atta I, Rubinow A, Orbach H, Levartovsky D, Aamar S, Arbel O, Dresner-Pollak R, Friedman G, Ben-Yehuda A: 2756GG genotype of methionine synthase reductase gene is more prevalent in rheumatoid arthritis patients treated with methotrexate and is associated with methotrexate-induced nodulosis. J Rheumatol. 2007 Aug;34(8):1664-9. Epub 2007 Jul 1."	Approved; Nutraceutical	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2					4991	46509031	D00166	PA451892			Cyanocobalamin	CHEMBL2110563	11248
DB00115	Cyanocobalamin	BE0000320	MMAA	Q8IVH4	MMAA_HUMAN	binder	15523652; 16697227; 29862147; 19700356	"Lerner-Ellis JP, Dobson CM, Wai T, Watkins D, Tirone JC, Leclerc D, Dore C, Lepage P, Gravel RA, Rosenblatt DS: Mutations in the MMAA gene in patients with the cblA disorder of vitamin B12 metabolism. Hum Mutat. 2004 Dec;24(6):509-16.@@Dobson CM, Gradinger A, Longo N, Wu X, Leclerc D, Lerner-Ellis J, Lemieux M, Belair C, Watkins D, Rosenblatt DS, Gravel RA: Homozygous nonsense mutation in the MCEE gene and siRNA suppression of methylmalonyl-CoA epimerase expression: a novel cause of mild methylmalonic aciduria. Mol Genet Metab. 2006 Aug;88(4):327-33. Epub 2006 May 11.@@Zhou X, Cui Y, Han J: Methylmalonic acidemia: Current status and research priorities. Intractable Rare Dis Res. 2018 May;7(2):73-78. doi: 10.5582/irdr.2018.01026.@@Froese DS, Zhang J, Healy S, Gravel RA: Mechanism of vitamin B12-responsiveness in cblC methylmalonic aciduria with homocystinuria. Mol Genet Metab. 2009 Dec;98(4):338-43. doi: 10.1016/j.ymgme.2009.07.014. Epub 2009 Aug 3."	Approved; Nutraceutical	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2					4991	46509031	D00166	PA451892			Cyanocobalamin	CHEMBL2110563	11248
DB00115	Cyanocobalamin	BE0002175	MMACHC	Q9Y4U1	MMAC_HUMAN	cofactor	16843692; 17431913; 16714133; 16311595; 25820384	"Chandler RJ, Aswani V, Tsai MS, Falk M, Wehrli N, Stabler S, Allen R, Sedensky M, Kazazian HH, Venditti CP: Propionyl-CoA and adenosylcobalamin metabolism in Caenorhabditis elegans: evidence for a role of methylmalonyl-CoA epimerase in intermediary metabolism. Mol Genet Metab. 2006 Sep-Oct;89(1-2):64-73. Epub 2006 Jul 14.@@Ben-Omran TI, Wong H, Blaser S, Feigenbaum A: Late-onset cobalamin-C disorder: a challenging diagnosis. Am J Med Genet A. 2007 May 1;143A(9):979-84.@@Morel CF, Lerner-Ellis JP, Rosenblatt DS: Combined methylmalonic aciduria and homocystinuria (cblC): phenotype-genotype correlations and ethnic-specific observations. Mol Genet Metab. 2006 Aug;88(4):315-21. Epub 2006 May 22.@@Lerner-Ellis JP, Tirone JC, Pawelek PD, Dore C, Atkinson JL, Watkins D, Morel CF, Fujiwara TM, Moras E, Hosack AR, Dunbar GV, Antonicka H, Forgetta V, Dobson CM, Leclerc D, Gravel RA, Shoubridge EA, Coulton JW, Lepage P, Rommens JM, Morgan K, Rosenblatt DS: Identification of the gene responsible for methylmalonic aciduria and homocystinuria, cblC type. Nat Genet. 2006 Jan;38(1):93-100. Epub 2005 Nov 27.@@Obeid R, Fedosov SN, Nexo E: Cobalamin coenzyme forms are not likely to be superior to cyano- and hydroxyl-cobalamin in prevention or treatment of cobalamin deficiency. Mol Nutr Food Res. 2015 Jul;59(7):1364-72. doi: 10.1002/mnfr.201500019. Epub 2015 May 12."	Approved; Nutraceutical	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamin B 12, biosynthesis; Vitamins; Corrinoids; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin B Complex; Blood and Blood Forming Organs; Growth Substances; Food; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2					4991	46509031	D00166	PA451892			Cyanocobalamin	CHEMBL2110563	11248
DB00116	Tetrahydrofolic acid	BE0000617	MTHFD1	P11586	C1TC_HUMAN	cofactor	11323021; 16171773; 17533396; 12949177; 12937168	"Akar N, Akar E, Ozel D, Deda G, Sipahi T: Common mutations at the homocysteine metabolism pathway and pediatric stroke. Thromb Res. 2001 Apr 15;102(2):115-20.@@Walkup AS, Appling DR: Enzymatic characterization of human mitochondrial C1-tetrahydrofolate synthase. Arch Biochem Biophys. 2005 Oct 15;442(2):196-205. Epub 2005 Aug 30.@@Matakidou A, El Galta R, Rudd MF, Webb EL, Bridle H, Eisen T, Houlston RS: Prognostic significance of folate metabolism polymorphisms for lung cancer. Br J Cancer. 2007 Jul 16;97(2):247-52. Epub 2007 May 29.@@Salmassi TM, Leadbetter JR: Analysis of genes of tetrahydrofolate-dependent metabolism from cultivated spirochaetes and the gut community of the termite Zootermopsis angusticollis. Microbiology. 2003 Sep;149(Pt 9):2529-37.@@Prasannan P, Pike S, Peng K, Shane B, Appling DR: Human mitochondrial C1-tetrahydrofolate synthase: gene structure, tissue distribution of the mRNA, and immunolocalization in Chinese hamster ovary calls. J Biol Chem. 2003 Oct 31;278(44):43178-87. Epub 2003 Aug 22."	Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements"	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1		"Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46504756		PA164745110		DAP001308	Tetrahydrofolic_acid	CHEMBL2021342	
DB00116	Tetrahydrofolic acid	BE0000933	ALDH1L1	O75891	AL1L1_HUMAN	cofactor	10395731; 10585460; 11320079; 16627483; 16712799	"Fu TF, Maras B, Barra D, Schirch V: A noncatalytic tetrahydrofolate tight binding site is on the small domain of 10-formyltetrahydrofolate dehydrogenase. Arch Biochem Biophys. 1999 Jul 15;367(2):161-6.@@Krupenko SA, Wagner C: Aspartate 142 is involved in both hydrolase and dehydrogenase catalytic centers of 10-formyltetrahydrofolate dehydrogenase. J Biol Chem. 1999 Dec 10;274(50):35777-84.@@Krupenko SA, Vlasov AP, Wagner C: On the role of conserved histidine 106 in 10-formyltetrahydrofolate dehydrogenase catalysis: connection between hydrolase and dehydrogenase mechanisms. J Biol Chem. 2001 Jun 29;276(26):24030-7. Epub 2001 Apr 24.@@Anguera MC, Field MS, Perry C, Ghandour H, Chiang EP, Selhub J, Shane B, Stover PJ: Regulation of folate-mediated one-carbon metabolism by 10-formyltetrahydrofolate dehydrogenase. J Biol Chem. 2006 Jul 7;281(27):18335-42. Epub 2006 Apr 20.@@Oleinik NV, Krupenko NI, Reuland SN, Krupenko SA: Leucovorin-induced resistance against FDH growth suppressor effects occurs through DHFR up-regulation. Biochem Pharmacol. 2006 Jul 14;72(2):256-66. Epub 2006 Apr 25."	Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements"	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1		"Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46504756		PA164745110		DAP001308	Tetrahydrofolic_acid	CHEMBL2021342	
DB00116	Tetrahydrofolic acid	BE0000734	MTR	Q99707	METH_HUMAN	cofactor	10978155; 11169015; 11237340; 9398303; 9730838	"Hall DA, Jordan-Starck TC, Loo RO, Ludwig ML, Matthews RG: Interaction of flavodoxin with cobalamin-dependent methionine synthase. Biochemistry. 2000 Sep 5;39(35):10711-9.@@Fowler B: The folate cycle and disease in humans. Kidney Int Suppl. 2001 Feb;78:S221-9.@@Fu TF, di Salvo M, Schirch V: Enzymatic determination of homocysteine in cell extracts. Anal Biochem. 2001 Mar;290(2):359-65.@@Jarrett JT, Choi CY, Matthews RG: Changes in protonation associated with substrate binding and Cob(I)alamin formation in cobalamin-dependent methionine synthase. Biochemistry. 1997 Dec 16;36(50):15739-48.@@Jarrett JT, Hoover DM, Ludwig ML, Matthews RG: The mechanism of adenosylmethionine-dependent activation of methionine synthase: a rapid kinetic analysis of intermediates in reductive methylation of Cob(II)alamin enzyme. Biochemistry. 1998 Sep 8;37(36):12649-58."	Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements"	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1		"Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46504756		PA164745110		DAP001308	Tetrahydrofolic_acid	CHEMBL2021342	
DB00116	Tetrahydrofolic acid	BE0000331	SHMT1	P34896	GLYC_HUMAN	cofactor	10656824; 10998057; 11386852; 11752472; 12668769; 10592235	"Scarsdale JN, Radaev S, Kazanina G, Schirch V, Wright HT: Crystal structure at 2.4 A resolution of E. coli serine hydroxymethyltransferase in complex with glycine substrate and 5-formyl tetrahydrofolate. J Mol Biol. 2000 Feb 11;296(1):155-68.@@Rao JV, Prakash V, Rao NA, Savithri HS: The role of Glu74 and Tyr82 in the reaction catalyzed by sheep liver cytosolic serine hydroxymethyltransferase. Eur J Biochem. 2000 Oct;267(19):5967-76.@@Heil SG, Van der Put NM, Waas ET, den Heijer M, Trijbels FJ, Blom HJ: Is mutated serine hydroxymethyltransferase (SHMT) involved in the etiology of neural tube defects? Mol Genet Metab. 2001 Jun;73(2):164-72.@@Ravanel S, Cherest H, Jabrin S, Grunwald D, Surdin-Kerjan Y, Douce R, Rebeille F: Tetrahydrofolate biosynthesis in plants: molecular and functional characterization of dihydrofolate synthetase and three isoforms of folylpolyglutamate synthetase in Arabidopsis thaliana. Proc Natl Acad Sci U S A. 2001 Dec 18;98(26):15360-5.@@Li R, Moore M, King J: Investigating the regulation of one-carbon metabolism in Arabidopsis thaliana. Plant Cell Physiol. 2003 Mar;44(3):233-41.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements"	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1		"Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46504756		PA164745110		DAP001308	Tetrahydrofolic_acid	CHEMBL2021342	
DB00116	Tetrahydrofolic acid	BE0000292	SHMT2	P34897	GLYM_HUMAN	cofactor	11386852; 11737206; 12668769; 12686103; 12902326; 9449840; 17651438; 17142057	"Heil SG, Van der Put NM, Waas ET, den Heijer M, Trijbels FJ, Blom HJ: Is mutated serine hydroxymethyltransferase (SHMT) involved in the etiology of neural tube defects? Mol Genet Metab. 2001 Jun;73(2):164-72.@@Contestabile R, Paiardini A, Pascarella S, di Salvo ML, D'Aguanno S, Bossa F: l-Threonine aldolase, serine hydroxymethyltransferase and fungal alanine racemase. A subgroup of strictly related enzymes specialized for different functions. Eur J Biochem. 2001 Dec;268(24):6508-25.@@Li R, Moore M, King J: Investigating the regulation of one-carbon metabolism in Arabidopsis thaliana. Plant Cell Physiol. 2003 Mar;44(3):233-41.@@Appaji Rao N, Ambili M, Jala VR, Subramanya HS, Savithri HS: Structure-function relationship in serine hydroxymethyltransferase. Biochim Biophys Acta. 2003 Apr 11;1647(1-2):24-9.@@Angelaccio S, Chiaraluce R, Consalvi V, Buchenau B, Giangiacomo L, Bossa F, Contestabile R: Catalytic and thermodynamic properties of tetrahydromethanopterin-dependent serine hydroxymethyltransferase from Methanococcus jannaschii. J Biol Chem. 2003 Oct 24;278(43):41789-97. Epub 2003 Aug 5.@@Prabhu V, Chatson KB, Lui H, Abrams GD, King J: Effects of sulfanilamide and methotrexate on 13C fluxes through the glycine decarboxylase/serine hydroxymethyltransferase enzyme system in arabidopsis. Plant Physiol. 1998 Jan;116(1):137-44.@@Rajaram V, Bhavani BS, Kaul P, Prakash V, Appaji Rao N, Savithri HS, Murthy MR: Structure determination and biochemical studies on Bacillus stearothermophilus E53Q serine hydroxymethyltransferase and its complexes provide insights on function and enzyme memory. FEBS J. 2007 Aug;274(16):4148-60. Epub 2007 Jul 25.@@Vatsyayan R, Roy U: Molecular cloning and biochemical characterization of Leishmania donovani serine hydroxymethyltransferase. Protein Expr Purif. 2007 Apr;52(2):433-40. Epub 2006 Oct 26."	Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Pteridines; Folic Acid and Derivatives; Vitamins; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Pterins; Dietary Supplements"	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1		"Histidinemia; Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Folate Malabsorption, Hereditary; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Non-Ketotic Hyperglycinemia; Methotrexate Action Pathway; Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glycine and Serine Metabolism; Adenosine Deaminase Deficiency; Xanthinuria Type II; Methionine Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Folate Metabolism; Sarcosine Oncometabolite Pathway; Sarcosinemia; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46504756		PA164745110		DAP001308	Tetrahydrofolic_acid	CHEMBL2021342	
DB00117	Histidine	BE0000740	HARS	P12081	SYHC_HUMAN		17150756; 16741232	"Nagatoyo Y, Iwaki J, Suzuki S, Kuno A, Hasegawa T: Molecular recognition of histidine tRNA by histidyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2005;(49):307-8.@@Rosen AE, Brooks BS, Guth E, Francklyn CS, Musier-Forsyth K: Evolutionary conservation of a functionally important backbone phosphate group critical for aminoacylation of histidine tRNAs. RNA. 2006 Jul;12(7):1315-22. Epub 2006 Jun 1."	Investigational; Nutraceutical	Histidine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CC1=CNC=N1)C(O)=O		"Clomocycline Action Pathway; Histidinemia; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; Carnosinuria, Carnosinemia; Azithromycin Action Pathway; Methylhistidine Metabolism; Clarithromycin Action Pathway; Minocycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; beta-Alanine Metabolism; Doxycycline Action Pathway; Ammonia Recycling; Histidine Metabolism; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway"	disease; metabolic; drug_action		10237	46507001	D00032	PA449882			Histidine	CHEMBL17962	5340
DB00118	Ademetionine	BE0002089	COMT	P21964	COMT_HUMAN	cofactor	20196537; 18486144	"Lee BW, Sun HG, Zang T, Kim BJ, Alfaro JF, Zhou ZS: Enzyme-catalyzed transfer of a ketone group from an S-adenosylmethionine analogue: a tool for the functional analysis of methyltransferases. J Am Chem Soc. 2010 Mar 24;132(11):3642-3. doi: 10.1021/ja908995p.@@Rutherford K, Le Trong I, Stenkamp RE, Parson WW: Crystal structures of human 108V and 108M catechol O-methyltransferase. J Mol Biol. 2008 Jun 27;380(1):120-30. doi: 10.1016/j.jmb.2008.04.040. Epub 2008  Apr 23."	Approved; Investigational; Nutraceutical	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway"	disease; metabolic; drug_action			46505280		PA164754994			S-Adenosyl_methionine	CHEMBL1088977	9504
DB00118	Ademetionine	BE0008997	CMTR1	Q8N1G2	CMTR1_HUMAN		18533109	"Haline-Vaz T, Silva TC, Zanchin NI: The human interferon-regulated ISG95 protein interacts with RNA polymerase II and shows methyltransferase activity. Biochem Biophys Res Commun. 2008 Aug 8;372(4):719-24. doi: 10.1016/j.bbrc.2008.05.137. Epub 2008 Jun 3."	Approved; Investigational; Nutraceutical	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway"	disease; metabolic; drug_action			46505280		PA164754994			S-Adenosyl_methionine	CHEMBL1088977	9504
DB00118	Ademetionine	BE0005015	AS3MT	Q9HBK9	AS3MT_HUMAN		22955273; 25349987	"Wang S, Li X, Song X, Geng Z, Hu X, Wang Z: Rapid equilibrium kinetic analysis of arsenite methylation catalyzed by recombinant human arsenic (+3 oxidation state) methyltransferase (hAS3MT). J Biol Chem. 2012 Nov 9;287(46):38790-9. doi: 10.1074/jbc.M112.368050. Epub 2012  Sep 6.@@Wang S, Geng Z, Shi N, Li X, Wang Z: The functions of crucial cysteine residues in the arsenite methylation catalyzed by recombinant human arsenic (III) methyltransferase. PLoS One. 2014 Oct 28;9(10):e110924. doi: 10.1371/journal.pone.0110924. eCollection 2014."	Approved; Investigational; Nutraceutical	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway"	disease; metabolic; drug_action			46505280		PA164754994			S-Adenosyl_methionine	CHEMBL1088977	9504
DB00118	Ademetionine	BE0000101	AMD1	P17707	DCAM_HUMAN	cofactor	12545203; 12974388; 15051528; 16515461	"Dudkowska M, Stachurska A, Grzelakowska-Sztabert B, Manteuffel-Cymborowska M: Up-regulation of spermidine/spermine N1-acetyltransferase (SSAT) expression is a part of proliferative but not anabolic response of mouse kidney. Acta Biochim Pol. 2002;49(4):969-77.@@Ndjonka D, Zou Y, Bi X, Woster P, Walter RD, Luersen K: The activator-binding site of Onchocerca volvulus S-adenosylmethionine decarboxylase, a potential drug target. Biol Chem. 2003 Aug;384(8):1195-201.@@Notari S, Lucchi R, Traversa U, Fabbri E, Poli A: Reversible changes in goldfish brain polyamine concentrations and synthetic enzymes after cold exposure. Brain Res. 2004 May 1;1006(2):241-7.@@Yerlikaya A, Stanley BA: Structural basis for the inactivation of AdoMetDC K12R mutant. Protein Pept Lett. 2006;13(3):313-7."	Approved; Investigational; Nutraceutical	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Supplements; Cytochrome P-450 CYP2E1 Inhibitors; Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Amino Acids and Derivatives; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Dietary Supplements; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Methylhistidine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/15:0); Mercaptopurine Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Betaine Metabolism; Catecholamine Biosynthesis; Phenytoin (Antiarrhythmic) Action Pathway; Glycine and Serine Metabolism; Carnitine Synthesis; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Hyperprolinemia Type I; Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Arginine and Proline Metabolism; Sarcosine Oncometabolite Pathway"	disease; metabolic; drug_action			46505280		PA164754994			S-Adenosyl_methionine	CHEMBL1088977	9504
DB00119	Pyruvic acid	BE0000449	SLC16A3	O15427	MOT4_HUMAN		16213084	"Shimada A, Nakagawa Y, Morishige H, Yamamoto A, Fujita T: Functional characteristics of H+ -dependent nicotinate transport in primary cultures of astrocytes from rat cerebral cortex. Neurosci Lett. 2006 Jan 16;392(3):207-12. Epub 2005 Oct 5."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000178	SLC16A2	P36021	MOT8_HUMAN		16604139	"Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000102	AGXT2	Q9BYV1	AGT2_HUMAN		17139284; 17016423; 2632679	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tamaki N, Fujimoto S, Mizota C, Kaneko M, Kikugawa M: Inhibitory effect of 6-azauracil on beta-alanine metabolism in rat. J Nutr Sci Vitaminol (Tokyo). 1989 Oct;35(5):451-61."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000386	SLC16A5	O15375	MOT6_HUMAN		16604139	"Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000046	PKLR	P30613	KPYR_HUMAN		17574881; 17547515; 16720364; 16644726; 16365052	"Percy MJ, van Wijk R, Haggan S, Savage GA, Boyd K, Dempsey S, Hamilton J, Kettle P, Kyle A, Shepherd CW, van Solinge WW, Lappin TR, McMullin MF: Pyruvate kinase deficient hemolytic anemia in the Northern Irish population. Blood Cells Mol Dis. 2007 Sep-Oct;39(2):189-94. Epub 2007 Jun 15.@@Meza NW, Quintana-Bustamante O, Puyet A, Rio P, Navarro S, Diez A, Bueren JA, Bautista JM, Segovia JC: In vitro and in vivo expression of human erythrocyte pyruvate kinase in erythroid cells: a gene therapy approach. Hum Gene Ther. 2007 Jun;18(6):502-14.@@Rajaseger G, Lim CL, Lee KW, Arjunan P, Jia L, Moochhala S: Profiling of hepatocellular proteins by 1D PAGE-MALDI/MS/MS in a rat heat stress model. Front Biosci. 2006 Sep 1;11:2924-8.@@Xu J, Christian B, Jump DB: Regulation of rat hepatic L-pyruvate kinase promoter composition and activity by glucose, n-3 polyunsaturated fatty acids, and peroxisome proliferator-activated receptor-alpha agonist. J Biol Chem. 2006 Jul 7;281(27):18351-62. Epub 2006 Apr 27.@@Suzuki T, Kawamoto M, Murai A, Muramatsu T: Identification of the regulatory region of the L-type pyruvate kinase gene in mouse liver by hydrodynamics-based gene transfection. J Nutr. 2006 Jan;136(1):16-20."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000440	SLC16A7	O60669	MOT2_HUMAN		16604139; 16766717; 17556391; 16597615; 15953344	"Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.@@Hinoi E, Takarada T, Tsuchihashi Y, Fujimori S, Moriguchi N, Wang L, Uno K, Yoneda Y: A molecular mechanism of pyruvate protection against cytotoxicity of reactive oxygen species in osteoblasts. Mol Pharmacol. 2006 Sep;70(3):925-35. Epub 2006 Jun 9.@@Yoshida Y, Holloway GP, Ljubicic V, Hatta H, Spriet LL, Hood DA, Bonen A: Negligible direct lactate oxidation in subsarcolemmal and intermyofibrillar mitochondria obtained from red and white rat skeletal muscle. J Physiol. 2007 Aug 1;582(Pt 3):1317-35. Epub 2007 Jun 7.@@de Laplanche E, Gouget K, Cleris G, Dragounoff F, Demont J, Morales A, Bezin L, Godinot C, Perriere G, Mouchiroud D, Simonnet H: Physiological oxygenation status is required for fully differentiated phenotype in kidney cortex proximal tubules. Am J Physiol Renal Physiol. 2006 Oct;291(4):F750-60. Epub 2006 Apr 4.@@Pierre K, Pellerin L: Monocarboxylate transporters in the central nervous system: distribution, regulation and function. J Neurochem. 2005 Jul;94(1):1-14."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000253	ABAT	P80404	GABT_HUMAN	inhibitor	17355287; 16435204; 11752352	"Andersen G, Andersen B, Dobritzsch D, Schnackerz KD, Piskur J: A gene duplication led to specialized gamma-aminobutyrate and beta-alanine aminotransferase in yeast. FEBS J. 2007 Apr;274(7):1804-17. Epub 2007 Mar 12.@@Schmidt C, Hofmann U, Kohlmuller D, Murdter T, Zanger UM, Schwab M, Hoffmann GF: Comprehensive analysis of pyrimidine metabolism in 450 children with unspecific neurological symptoms using high-pressure liquid chromatography-electrospray ionization tandem mass spectrometry. J Inherit Metab Dis. 2005;28(6):1109-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000195	SLC16A4	O15374	MOT5_HUMAN		17275903; 16110503; 16604139; 15953344; 16213084	"Kay HH, Zhu S, Tsoi S: Hypoxia and lactate production in trophoblast cells. Placenta. 2007 Aug-Sep;28(8-9):854-60. Epub 2007 Feb 2.@@Han M, Trotta P, Coleman C, Linask KK: MCT-4, A511/Basigin and EF5 expression patterns during early chick cardiomyogenesis indicate cardiac cell differentiation occurs in a hypoxic environment. Dev Dyn. 2006 Jan;235(1):124-31.@@Bonen A, Heynen M, Hatta H: Distribution of monocarboxylate transporters MCT1-MCT8 in rat tissues and human skeletal muscle. Appl Physiol Nutr Metab. 2006 Feb;31(1):31-9.@@Pierre K, Pellerin L: Monocarboxylate transporters in the central nervous system: distribution, regulation and function. J Neurochem. 2005 Jul;94(1):1-14.@@Shimada A, Nakagawa Y, Morishige H, Yamamoto A, Fujita T: Functional characteristics of H+ -dependent nicotinate transport in primary cultures of astrocytes from rat cerebral cortex. Neurosci Lett. 2006 Jan 16;392(3):207-12. Epub 2005 Oct 5."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000669	SLC16A1	P53985	MOT1_HUMAN		17583564; 16110503; 17606506; 16213084; 16326938	"Duerr JM, Tucker K: Pyruvate transport in isolated cardiac mitochondria from two species of amphibian exhibiting dissimilar aerobic scope: Bufo marinus and Rana catesbeiana. J Exp Zool A Ecol Genet Physiol. 2007 Aug 1;307(8):425-38.@@Han M, Trotta P, Coleman C, Linask KK: MCT-4, A511/Basigin and EF5 expression patterns during early chick cardiomyogenesis indicate cardiac cell differentiation occurs in a hypoxic environment. Dev Dyn. 2006 Jan;235(1):124-31.@@Shimoyama Y, Akihara Y, Kirat D, Iwano H, Hirayama K, Kagawa Y, Ohmachi T, Matsuda K, Okamoto M, Kadosawa T, Yokota H, Taniyama H: Expression of monocarboxylate transporter 1 in oral and ocular canine melanocytic tumors. Vet Pathol. 2007 Jul;44(4):449-57.@@Shimada A, Nakagawa Y, Morishige H, Yamamoto A, Fujita T: Functional characteristics of H+ -dependent nicotinate transport in primary cultures of astrocytes from rat cerebral cortex. Neurosci Lett. 2006 Jan 16;392(3):207-12. Epub 2005 Oct 5.@@Philp A, Macdonald AL, Watt PW: Lactate--a signal coordinating cell and systemic function. J Exp Biol. 2005 Dec;208(Pt 24):4561-75."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00119	Pyruvic acid	BE0000698	PC	P11498	PYC_HUMAN		16505973; 16575559; 16740637; 16765071; 17008113	"Jitrapakdee S, Vidal-Puig A, Wallace JC: Anaplerotic roles of pyruvate carboxylase in mammalian tissues. Cell Mol Life Sci. 2006 Apr;63(7-8):843-54.@@Simpson NE, Khokhlova N, Oca-Cossio JA, Constantinidis I: Insights into the role of anaplerosis in insulin secretion: A 13C NMR study. Diabetologia. 2006 Jun;49(6):1338-48. Epub 2006 Mar 31.@@Jensen MV, Joseph JW, Ilkayeva O, Burgess S, Lu D, Ronnebaum SM, Odegaard M, Becker TC, Sherry AD, Newgard CB: Compensatory responses to pyruvate carboxylase suppression in islet beta-cells. Preservation of glucose-stimulated insulin secretion. J Biol Chem. 2006 Aug 4;281(31):22342-51. Epub 2006 Jun 1.@@Ikeda K, Yukihiro Hiraoka B, Iwai H, Matsumoto T, Mineki R, Taka H, Takamori K, Ogawa H, Yamakura F: Detection of 6-nitrotryptophan in proteins by Western blot analysis and its application for peroxynitrite-treated PC12 cells. Nitric Oxide. 2007 Feb;16(1):18-28. Epub 2006 May 4.@@Liu L, Li Y, Zhu Y, Du G, Chen J: Redistribution of carbon flux in Torulopsis glabrata by altering vitamin and calcium level. Metab Eng. 2007 Jan;9(1):21-9. Epub 2006 Aug 12."	Approved; Investigational; Nutraceutical	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Supplements; Keto Acids; Pyruvates; Dietary Supplements	CC(=O)C(O)=O		"Citrullinemia Type I; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Glycogenosis, Type IB; Argininemia; Pyruvate Kinase Deficiency; Pyruvate Carboxylase Deficiency; Amino Sugar Metabolism; The Oncogenic Action of Fumarate; 3-Phosphoglycerate Dehydrogenase Deficiency; Glycolysis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Glucose-Alanine Cycle; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Alanine Metabolism; Hyperglycinemia, Non-Ketotic; Cystinosis, Ocular Nonnephropathic; Dimethylglycine Dehydrogenase Deficiency; Glycogenosis, Type VII. Tarui Disease; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Lactic Acidemia; Homocarnosinosis; Primary Hyperoxaluria Type I; Ornithine Transcarbamylase Deficiency (OTC Deficiency); The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Sarcosinemia; Urea Cycle; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Cysteine Metabolism"	disease; metabolic			46505692		PA164778686		DAP000543	Pyruvic_acid	CHEMBL1162144	35161
DB00120	Phenylalanine	BE0000789	SLC7A8	Q9UHI5	LAT2_HUMAN		12101005; 10574970; 12930836; 9349567; 12498902	"Shennan DB, Calvert DT, Travers MT, Kudo Y, Boyd CA: A study of L-leucine, L-phenylalanine and L-alanine transport in the perfused rat mammary gland: possible involvement of LAT1 and LAT2. Biochim Biophys Acta. 2002 Aug 19;1564(1):133-9.@@Rossier G, Meier C, Bauch C, Summa V, Sordat B, Verrey F, Kuhn LC: LAT2, a new basolateral 4F2hc/CD98-associated amino acid transporter of kidney and intestine. J Biol Chem. 1999 Dec 3;274(49):34948-54.@@Babu E, Kanai Y, Chairoungdua A, Kim DK, Iribe Y, Tangtrongsup S, Jutabha P, Li Y, Ahmed N, Sakamoto S, Anzai N, Nagamori S, Endou H: Identification of a novel system L amino acid transporter structurally distinct from heterodimeric amino acid transporters. J Biol Chem. 2003 Oct 31;278(44):43838-45. Epub 2003 Aug 20.@@Satoh S, Kimura T, Toda M, Maekawa M, Ono S, Narita H, Miyazaki H, Murayama T, Nomura Y: Involvement of L-type-like amino acid transporters in S-nitrosocysteine-stimulated noradrenaline release in the rat hippocampus. J Neurochem. 1997 Nov;69(5):2197-205.@@Nemoto T, Shimma N, Horie S, Saito T, Okuma Y, Nomura Y, Murayama T: Involvement of the system L amino acid transporter on uptake of S-nitroso-L-cysteine, an endogenous S-nitrosothiol, in PC12 cells. Eur J Pharmacol. 2003 Jan 1;458(1-2):17-24."	Approved; Investigational; Nutraceutical	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CC=CC=C1)C(O)=O		Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria	disease; metabolic		750	46505708	D00021	PA450931		DAP000807	Phenylalanine	CHEMBL301523	8156
DB00120	Phenylalanine	BE0000028	FARS2	O95363	SYFM_HUMAN		17139284; 17016423; 16969782; 16338408	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Fukuzawa S, Sakamoto K, Nakayama H, Kigawa T, Yabuki T, Matsuda N, Shirouzu M, Takio K, Tachibana K, Yokoyama S: A new protein engineering approach combining chemistry and biology, part I; site-specific incorporation of 4-iodo-L-phenylalanine in vitro by using misacylated suppressor tRNAPhe. Chembiochem. 2006 Oct;7(10):1577-81.@@Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807."	Approved; Investigational; Nutraceutical	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Immunosuppressive Agents; Myelosuppressive Agents; Proteinogenic Amino Acids; Amino Acids, Cyclic; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CC=CC=C1)C(O)=O		Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria	disease; metabolic		750	46505708	D00021	PA450931		DAP000807	Phenylalanine	CHEMBL301523	8156
DB00121	Biotin	BE0000544	PCCB	P05166	PCCB_HUMAN	cofactor	17139284; 17016423; 15623830; 9311592; 14997352; 16772434	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Vlasova TI, Stratton SL, Wells AM, Mock NI, Mock DM: Biotin deficiency reduces expression of SLC19A3, a potential biotin transporter, in leukocytes from human blood. J Nutr. 2005 Jan;135(1):42-7.@@Cherbonnel-Lasserre CL, Linares-Cruz G, Rigaut JP, Sabatier L, Dutrillaux B: Strong decrease in biotin content may correlate with metabolic alterations in colorectal adenocarcinoma. Int J Cancer. 1997 Sep 4;72(5):768-75.@@Ishii M, Chuakrut S, Arai H, Igarashi Y: Occurrence, biochemistry and possible biotechnological application of the 3-hydroxypropionate cycle. Appl Microbiol Biotechnol. 2004 Jun;64(5):605-10. Epub 2004 Feb 28.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000159	HLCS	P50747	BPL1_HUMAN	substrate	16359899; 16772434; 17056793	"Velazquez-Arellano A: From an inborn error patient to a search for regulatory meaning: a biotin conducted voyage. Mol Genet Metab. 2006 Mar;87(3):194-7. Epub 2005 Dec 15.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5.@@Camporeale G, Giordano E, Rendina R, Zempleni J, Eissenberg JC: Drosophila melanogaster holocarboxylase synthetase is a chromosomal protein required for normal histone biotinylation, gene transcription patterns, lifespan, and heat tolerance. J Nutr. 2006 Nov;136(11):2735-42."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000072	MCCC2	Q9HCC0	MCCB_HUMAN	cofactor	16707089; 17266990; 17254330; 17659996; 16772434	"Santoro N, Brtva T, Roest SV, Siegel K, Waldrop GL: A high-throughput screening assay for the carboxyltransferase subunit of acetyl-CoA carboxylase. Anal Biochem. 2006 Jul 1;354(1):70-7. Epub 2006 May 3.@@de Queiroz MS, Waldrop GL: Modeling and numerical simulation of biotin carboxylase kinetics: implications for half-sites reactivity. J Theor Biol. 2007 May 7;246(1):167-75. Epub 2006 Dec 28.@@Ludke A, Kramer R, Burkovski A, Schluesener D, Poetsch A: A proteomic study of Corynebacterium glutamicum AAA+ protease FtsH. BMC Microbiol. 2007 Jan 25;7:6.@@Jitrapakdee S, Surinya KH, Adina-Zada A, Polyak SW, Stojkoski C, Smyth R, Booker GW, Cleland WW, Attwood PV, Wallace JC: Conserved Glu40 and Glu433 of the biotin carboxylase domain of yeast pyruvate carboxylase I isoenzyme are essential for the association of tetramers. Int J Biochem Cell Biol. 2007;39(11):2120-34. Epub 2007 Jun 27.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000702	ACACB	O00763	ACACB_HUMAN	cofactor	17477831; 16772434	"Liu Y, Zalameda L, Kim KW, Wang M, McCarter JD: Discovery of acetyl-coenzyme A carboxylase 2 inhibitors: comparison of a fluorescence intensity-based phosphate assay and a fluorescence polarization-based ADP Assay for high-throughput screening. Assay Drug Dev Technol. 2007 Apr;5(2):225-35.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000445	MCCC1	Q96RQ3	MCCA_HUMAN	cofactor	16773504; 16772434	"Friebel D, von der Hagen M, Baumgartner ER, Fowler B, Hahn G, Feyh P, Heubner G, Baumgartner MR, Hoffmann GF: The first case of 3-methylcrotonyl-CoA carboxylase (MCC) deficiency responsive to biotin. Neuropediatrics. 2006 Apr;37(2):72-8.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000698	PC	P11498	PYC_HUMAN	cofactor	17008113; 17297119; 17659996; 17478118; 17316367; 16772434	"Liu L, Li Y, Zhu Y, Du G, Chen J: Redistribution of carbon flux in Torulopsis glabrata by altering vitamin and calcium level. Metab Eng. 2007 Jan;9(1):21-9. Epub 2006 Aug 12.@@Ferreira G, Weiss WP: Effect of biotin on activity and gene expression of biotin-dependent carboxylases in the liver of dairy cows. J Dairy Sci. 2007 Mar;90(3):1460-6.@@Jitrapakdee S, Surinya KH, Adina-Zada A, Polyak SW, Stojkoski C, Smyth R, Booker GW, Cleland WW, Attwood PV, Wallace JC: Conserved Glu40 and Glu433 of the biotin carboxylase domain of yeast pyruvate carboxylase I isoenzyme are essential for the association of tetramers. Int J Biochem Cell Biol. 2007;39(11):2120-34. Epub 2007 Jun 27.@@Jitrapakdee S, Adina-Zada A, Besant PG, Surinya KH, Cleland WW, Wallace JC, Attwood PV: Differential regulation of the yeast isozymes of pyruvate carboxylase and the locus of action of acetyl CoA. Int J Biochem Cell Biol. 2007;39(6):1211-23. Epub 2007 Mar 30.@@Ozimek PZ, Klompmaker SH, Visser N, Veenhuis M, van der Klei IJ: The transcarboxylase domain of pyruvate carboxylase is essential for assembly of the peroxisomal flavoenzyme alcohol oxidase. FEMS Yeast Res. 2007 Oct;7(7):1082-92. Epub 2007 Feb 20.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000492	PCCA	P05165	PCCA_HUMAN	cofactor	17139284; 17016423; 12385775; 9311592; 15623830; 16772434	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Clavero S, Martinez MA, Perez B, Perez-Cerda C, Ugarte M, Desviat LR: Functional characterization of PCCA mutations causing propionic acidemia. Biochim Biophys Acta. 2002 Nov 20;1588(2):119-25.@@Cherbonnel-Lasserre CL, Linares-Cruz G, Rigaut JP, Sabatier L, Dutrillaux B: Strong decrease in biotin content may correlate with metabolic alterations in colorectal adenocarcinoma. Int J Cancer. 1997 Sep 4;72(5):768-75.@@Vlasova TI, Stratton SL, Wells AM, Mock NI, Mock DM: Biotin deficiency reduces expression of SLC19A3, a potential biotin transporter, in leukocytes from human blood. J Nutr. 2005 Jan;135(1):42-7.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00121	Biotin	BE0000626	ACACA	Q13085	ACACA_HUMAN	cofactor	16460018; 16545081; 16636450; 16707089; 17468269; 16772434	"Bilder P, Lightle S, Bainbridge G, Ohren J, Finzel B, Sun F, Holley S, Al-Kassim L, Spessard C, Melnick M, Newcomer M, Waldrop GL: The structure of the carboxyltransferase component of acetyl-coA carboxylase reveals a zinc-binding motif unique to the bacterial enzyme. Biochemistry. 2006 Feb 14;45(6):1712-22.@@Brownsey RW, Boone AN, Elliott JE, Kulpa JE, Lee WM: Regulation of acetyl-CoA carboxylase. Biochem Soc Trans. 2006 Apr;34(Pt 2):223-7.@@Aoki H, Kimura K, Igarashi K, Takenaka A: Soy protein suppresses gene expression of acetyl-coA carboxylase alpha from promoter PI in rat liver. Biosci Biotechnol Biochem. 2006 Apr;70(4):843-9.@@Santoro N, Brtva T, Roest SV, Siegel K, Waldrop GL: A high-throughput screening assay for the carboxyltransferase subunit of acetyl-CoA carboxylase. Anal Biochem. 2006 Jul 1;354(1):70-7. Epub 2006 May 3.@@Leonard E, Lim KH, Saw PN, Koffas MA: Engineering central metabolic pathways for high-level flavonoid production in Escherichia coli. Appl Environ Microbiol. 2007 Jun;73(12):3877-86. Epub 2007 Apr 27.@@Hassan YI, Zempleni J: Epigenetic regulation of chromatin structure and gene function by biotin. J Nutr. 2006 Jul;136(7):1763-5."	Approved; Investigational; Nutraceutical	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives	"Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Growth Substances; Food; Imidazoles; Dietary Supplements; Alimentary Tract and Metabolism; Micronutrients"	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2		"Mitochondrial Complex II Deficiency; 3-Methylglutaconic Aciduria Type III; 2-Ketoglutarate Dehydrogenase Complex Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Isovaleric Aciduria; Pyruvate Carboxylase Deficiency; Warburg Effect; Isobutyryl-CoA Dehydrogenase Deficiency; Biotin Metabolism; Fructose-1,6-diphosphatase Deficiency; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propionic Acidemia; Transfer of Acetyl Groups into Mitochondria; Malonic Aciduria; 2-Hydroxyglutric Aciduria (D and L Form); 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Congenital Lactic Acidosis; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Fumarase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Alanine Metabolism; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Lactic Acidemia; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Primary Hyperoxaluria Type I; Triosephosphate Isomerase; The Oncogenic Action of 2-Hydroxyglutarate; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease"	disease; metabolic		4962	46508694	D00029	PA448625			Biotin	CHEMBL857	1588
DB00122	Choline	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		12626641	"Zhao L, Kuo YP, George AA, Peng JH, Purandare MS, Schroeder KM, Lukas RJ, Wu J: Functional properties of homomeric, human alpha 7-nicotinic acetylcholine receptors heterologously expressed in the SH-EP1 human epithelial cell line. J Pharmacol Exp Ther. 2003 Jun;305(3):1132-41. Epub 2003 Mar 6."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0000494	PCYT1B	Q9Y5K3	PCY1B_HUMAN	product of	17139284; 17016423; 15798219	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wang L, Magdaleno S, Tabas I, Jackowski S: Early embryonic lethality in mice with targeted deletion of the CTP:phosphocholine cytidylyltransferase alpha gene (Pcyt1a). Mol Cell Biol. 2005 Apr;25(8):3357-63."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0000615	PCYT1A	P49585	PCY1A_HUMAN	product of	17184542; 17218027	"Enaw JO, Zhu H, Yang W, Lu W, Shaw GM, Lammer EJ, Finnell RH: CHKA and PCYT1A gene polymorphisms, choline intake and spina bifida risk in a California population. BMC Med. 2006 Dec 21;4:36.@@Li L, She H, Yue SJ, Qin XQ, Guan CX, Liu HJ, Luo ZQ: Role of c-fos gene in vasoactive intestinal peptide promoted synthesis of pulmonary surfactant phospholipids. Regul Pept. 2007 May 3;140(3):117-24. Epub 2007 Jan 10."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0002179	PLD2	O14939	PLD2_HUMAN	product of	16179605; 16459925; 17627030; 16921342; 16878701	"Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13.@@Singh AT, Frohman MA, Stern PH: Parathyroid hormone stimulates phosphatidylethanolamine hydrolysis by phospholipase D in osteoblastic cells. Lipids. 2005 Nov;40(11):1135-40.@@Paruch S, Heinis M, Lemay J, Hoeffel G, Maranon C, Hosmalin A, Perianin A: CCR5 signaling through phospholipase D involves p44/42 MAP-kinases and promotes HIV-1 LTR-directed gene expression. FASEB J. 2007 Dec;21(14):4038-46. Epub 2007 Jul 12.@@Szumilo M, Rahden-Staron I: [Phospholipase D in mammalian cells: structure, properties, physiological and pathological role]. Postepy Hig Med Dosw (Online). 2006;60:421-30.@@Fensome-Green A, Cockcroft S: Reconstitution system based on cytosol-depleted cells to study the regulation of phospholipase D. Methods Mol Biol. 2006;332:299-310."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0002180	BCHE	P06276	CHLE_HUMAN	product of	17329059; 16297435; 17636231; 17390078; 16376069	"Hsieh BC, Matsumoto K, Cheng TJ, Yuu G, Chen RL: Choline biosensor constructed with chitinous membrane from soldier crab and its application in measuring cholinesterase inhibitory activities. J Pharm Biomed Anal. 2007 Nov 30;45(4):673-8. Epub 2007 Jan 24.@@Amenta F, Tayebati SK, Vitali D, Di Tullio MA: Association with the cholinergic precursor choline alphoscerate and the cholinesterase inhibitor rivastigmine: an approach for enhancing cholinergic neurotransmission. Mech Ageing Dev. 2006 Feb;127(2):173-9. Epub 2005 Nov 16.@@Lurie S, Sadan O, Oron G, Fux A, Boaz M, Ezri T, Golan A, Bar J: Reduced pseudocholinesterase activity in patients with HELLP syndrome. Reprod Sci. 2007 Feb;14(2):192-6.@@Calaf GM, Roy D: Gene expression signature of parathion-transformed human breast epithelial cells. Int J Mol Med. 2007 May;19(5):741-50.@@Stoytcheva M, Zlatev R, Valdez B, Magnin JP, Velkova Z: Electrochemical sensor based on Arthrobacter globiformis for cholinesterase activity determination. Biosens Bioelectron. 2006 Jul 15;22(1):1-9. Epub 2005 Dec 20."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0002181	PLD1	Q13393	PLD1_HUMAN	product of	16179605	"Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00122	Choline	BE0002186	PHOSPHO1	Q8TCT1	PHOP1_HUMAN	product of	31302410	"Sahashi K, Yamada-Kato N, Maeda T, Kito K, Cha-Um S, Rai V, Tanaka Y, Takabe T: Expression and functional characterization of sugar beet phosphoethanolamine/phosphocholine phosphatase under salt stress. Plant Physiol Biochem. 2019 Sep;142:211-216. doi: 10.1016/j.plaphy.2019.07.011. Epub 2019 Jul 9."	Approved; Nutraceutical	Cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Supplements; Quaternary Ammonium Compounds; Vitamins; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Antimetabolites; Other Nutritional Agents; Dietary Supplements; Gastrointestinal Agents; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Vitamin B Complex; Alcohols; Lipid Regulating Agents; Onium Compounds; Analgesics; Hypolipidemic Agents; Nootropic Agents; Lipotropic Agents; Central Nervous System Agents; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System	C[N+](C)(C)CCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Betaine Metabolism; Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Cystathionine beta-Synthase Deficiency; Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Sarcosine Oncometabolite Pathway; Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	disease; metabolic		4949	46508132	D07690	PA448976			Choline	CHEMBL920	2449
DB00123	Lysine	BE0000212	SLC7A1	P30825	CTR1_HUMAN		17139284; 17016423; 14523001; 17042743; 9614060	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fernandez J, Lopez AB, Wang C, Mishra R, Zhou L, Yaman I, Snider MD, Hatzoglou M: Transcriptional control of the arginine/lysine transporter, cat-1, by physiological stress. J Biol Chem. 2003 Dec 12;278(50):50000-9. Epub 2003 Sep 30.@@Lopez AB, Wang C, Huang CC, Yaman I, Li Y, Chakravarty K, Johnson PF, Chiang CM, Snider MD, Wek RC, Hatzoglou M: A feedback transcriptional mechanism controls the level of the arginine/lysine transporter cat-1 during amino acid starvation. Biochem J. 2007 Feb 15;402(1):163-73.@@Nicholson B, Sawamura T, Masaki T, MacLeod CL: Increased Cat3-mediated cationic amino acid transport functionally compensates in Cat1 knockout cell lines. J Biol Chem. 1998 Jun 12;273(24):14663-6."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; I.V. Solution Additives; Amino Acids, Essential; Amino Acids, Peptides, and Proteins; Blood and Blood Forming Organs; Lysine; Detoxifying Agents for Antineoplastic Treatment; Dietary Supplements; Amino Acids, Diamino"	NCCCC[C@H](N)C(O)=O		"Multiple Carboxylase Deficiency, Neonatal or Early Onset Form; Biotin Metabolism; Glutaric Aciduria Type I; 2-Aminoadipic 2-Oxoadipic Aciduria; Hyperlysinemia II or Saccharopinuria; Hyperlysinemia I, Familial; Saccharopinuria/Hyperlysinemia II; Carnitine Synthesis; Lysine Degradation; Biotinidase Deficiency; Pyridoxine Dependency with Seizures"	disease; metabolic		2396	46504770	D02304	PA450280			Lysine	CHEMBL8085	6536
DB00123	Lysine	BE0000562	SLC7A2	P52569	CTR2_HUMAN		17139284; 17016423; 7499219; 15746185; 12475743	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Low BC, Grigor MR: Angiotensin II stimulates system y+ and cationic amino acid transporter gene expression in cultured vascular smooth muscle cells. J Biol Chem. 1995 Nov 17;270(46):27577-83.@@Rotoli BM, Bussolati O, Sala R, Gazzola GC, Dall'Asta V: The transport of cationic amino acids in human airway cells: expression of system y+L activity and transepithelial delivery of NOS inhibitors. FASEB J. 2005 May;19(7):810-2. Epub 2005 Mar 3.@@Schwartz D, Schwartz IF, Gnessin E, Wollman Y, Chernichovsky T, Blum M, Iaina A: Differential regulation of glomerular arginine transporters (CAT-1 and CAT-2) in lipopolysaccharide-treated rats. Am J Physiol Renal Physiol. 2003 Apr;284(4):F788-95. Epub 2002 Dec 10."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; I.V. Solution Additives; Amino Acids, Essential; Amino Acids, Peptides, and Proteins; Blood and Blood Forming Organs; Lysine; Detoxifying Agents for Antineoplastic Treatment; Dietary Supplements; Amino Acids, Diamino"	NCCCC[C@H](N)C(O)=O		"Multiple Carboxylase Deficiency, Neonatal or Early Onset Form; Biotin Metabolism; Glutaric Aciduria Type I; 2-Aminoadipic 2-Oxoadipic Aciduria; Hyperlysinemia II or Saccharopinuria; Hyperlysinemia I, Familial; Saccharopinuria/Hyperlysinemia II; Carnitine Synthesis; Lysine Degradation; Biotinidase Deficiency; Pyridoxine Dependency with Seizures"	disease; metabolic		2396	46504770	D02304	PA450280			Lysine	CHEMBL8085	6536
DB00125	Arginine	BE0000212	SLC7A1	P30825	CTR1_HUMAN		17325243; 17329401; 17427197; 17065601; 17363779	"Yang Z, Venardos K, Jones E, Morris BJ, Chin-Dusting J, Kaye DM: Identification of a novel polymorphism in the 3'UTR of the L-arginine transporter gene SLC7A1: contribution to hypertension and endothelial dysfunction. Circulation. 2007 Mar 13;115(10):1269-74. Epub 2007 Feb 26.@@Rotmann A, Simon A, Martine U, Habermeier A, Closs EI: Activation of classical protein kinase C decreases transport via systems y+ and y+L. Am J Physiol Cell Physiol. 2007 Jun;292(6):C2259-68. Epub 2007 Feb 28.@@Vasquez R, Farias M, Vega JL, Martin RS, Vecchiola A, Casanello P, Sobrevia L: D-glucose stimulation of L-arginine transport and nitric oxide synthesis results from activation of mitogen-activated protein kinases p42/44 and Smad2 requiring functional type II TGF-beta receptors in human umbilical vein endothelium. J Cell Physiol. 2007 Sep;212(3):626-32.@@Cerec V, Piquet-Pellorce C, Aly HA, Touzalin AM, Jegou B, Bauche F: Multiple pathways for cationic amino acid transport in rat seminiferous tubule cells. Biol Reprod. 2007 Feb;76(2):241-9. Epub 2006 Oct 25.@@Rotoli BM, Dall'asta V, Barilli A, D'Ippolito R, Tipa A, Olivieri D, Gazzola GC, Bussolati O: Alveolar macrophages from normal subjects lack the NOS-related system y+ for arginine transport. Am J Respir Cell Mol Biol. 2007 Jul;37(1):105-12. Epub 2007 Mar 15."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia"	disease; metabolic; signaling		10242	46507180	D02982	PA448478			Arginine	CHEMBL1485	1091
DB00125	Arginine	BE0000758	ARG2	P78540	ARGI2_HUMAN		16801455; 16979358	"Topal G, Brunet A, Walch L, Boucher JL, David-Dufilho M: Mitochondrial arginase II modulates nitric-oxide synthesis through nonfreely exchangeable L-arginine pools in human endothelial cells. J Pharmacol Exp Ther. 2006 Sep;318(3):1368-74. Epub 2006 Jun 26.@@Hood HM, Spevak CC, Sachs MS: Evolutionary changes in the fungal carbamoyl-phosphate synthetase small subunit gene and its associated upstream open reading frame. Fungal Genet Biol. 2007 Feb;44(2):93-104. Epub 2006 Sep 18."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia"	disease; metabolic; signaling		10242	46507180	D02982	PA448478			Arginine	CHEMBL1485	1091
DB00125	Arginine	BE0000671	ASS1	P00966	ASSY_HUMAN		16787144; 16809898; 17210712; 17354225	"Feun L, Savaraj N: Pegylated arginine deiminase: a novel anticancer enzyme agent. Expert Opin Investig Drugs. 2006 Jul;15(7):815-22.@@Moradi H, Kwok V, Vaziri ND: Effect of chronic renal failure on arginase and argininosuccinate synthetase expression. Am J Nephrol. 2006;26(3):310-8. Epub 2006 Jun 29.@@Cheng PN, Lam TL, Lam WM, Tsui SM, Cheng AW, Lo WH, Leung YC: Pegylated recombinant human arginase (rhArg-peg5,000mw) inhibits the in vitro and in vivo proliferation of human hepatocellular carcinoma through arginine depletion. Cancer Res. 2007 Jan 1;67(1):309-17.@@Szlosarek PW, Grimshaw MJ, Wilbanks GD, Hagemann T, Wilson JL, Burke F, Stamp G, Balkwill FR: Aberrant regulation of argininosuccinate synthetase by TNF-alpha in human epithelial ovarian cancer. Int J Cancer. 2007 Jul 1;121(1):6-11."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia"	disease; metabolic; signaling		10242	46507180	D02982	PA448478			Arginine	CHEMBL1485	1091
DB00125	Arginine	BE0000263	NOS3	P29474	NOS3_HUMAN		16682803; 16690332; 16717106; 16720041; 16729278	"Akamine EH, Kawamoto EM, Scavone C, Nigro D, Carvalho MH, de Cassia A Tostes R, Britto LR, Fortes ZB: Correction of endothelial dysfunction in diabetic female rats by tetrahydrobiopterin and chronic insulin. J Vasc Res. 2006;43(4):309-20. Epub 2006 May 8.@@Gautier C, Mikula I, Nioche P, Martasek P, Raman CS, Slama-Schwok A: Dynamics of NO rebinding to the heme domain of NO synthase-like proteins from bacterial pathogens. Nitric Oxide. 2006 Dec;15(4):312-27. Epub 2006 Apr 5.@@Yang J, Ji R, Cheng Y, Sun JZ, Jennings LK, Zhang C: L-arginine chlorination results in the formation of a nonselective nitric-oxide synthase inhibitor. J Pharmacol Exp Ther. 2006 Sep;318(3):1044-9. Epub 2006 May 22.@@Ishikawa T, Harada T, Koi H, Kubota T, Azuma H, Aso T: Identification of arginase in human placental villi. Placenta. 2007 Feb-Mar;28(2-3):133-8. Epub 2006 May 23.@@Haruna Y, Morita Y, Komai N, Yada T, Sakuta T, Tomita N, Fox DA, Kashihara N: Endothelial dysfunction in rat adjuvant-induced arthritis: vascular superoxide production by NAD(P)H oxidase and uncoupled endothelial nitric oxide synthase. Arthritis Rheum. 2006 Jun;54(6):1847-55."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Fatty Acids, Volatile; Blood Substitutes and Perfusion Solutions; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Supplements; I.V. Solution Additives; Pituitary Function; Amino Acids, Peptides, and Proteins; Arginine; Blood and Blood Forming Organs; Lipids; Acids, Acyclic; Detoxifying Agents for Antineoplastic Treatment; Fatty Acids; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle; Sarcosinemia"	disease; metabolic; signaling		10242	46507180	D02982	PA448478			Arginine	CHEMBL1485	1091
DB00126	Ascorbic acid	BE0002192	PLOD2	O00469	PLOD2_HUMAN	cofactor	9344473	"Yeowell HN, Walker LC, Murad S, Pinnell SR: A common duplication in the lysyl hydroxylase gene of patients with Ehlers Danlos syndrome type VI results in preferential stimulation of lysyl hydroxylase activity and mRNA by hydralazine. Arch Biochem Biophys. 1997 Nov 1;347(1):126-31. doi: 10.1006/abbi.1997.0319."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002117	PHYH	O14832	PAHX_HUMAN	cofactor	11555634	"Mukherji M, Chien W, Kershaw NJ, Clifton IJ, Schofield CJ, Wierzbicki AS, Lloyd MD: Structure-function analysis of phytanoyl-CoA 2-hydroxylase mutations causing Refsum's disease. Hum Mol Genet. 2001 Sep 1;10(18):1971-82. doi: 10.1093/hmg/10.18.1971."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002195	PLOD3	O60568	PLOD3_HUMAN	cofactor	9344473	"Yeowell HN, Walker LC, Murad S, Pinnell SR: A common duplication in the lysyl hydroxylase gene of patients with Ehlers Danlos syndrome type VI results in preferential stimulation of lysyl hydroxylase activity and mRNA by hydralazine. Arch Biochem Biophys. 1997 Nov 1;347(1):126-31. doi: 10.1006/abbi.1997.0319."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002197	BBOX1	O75936	BODG_HUMAN	cofactor	6432788; 10709635; 1962562	"Dunn WA, Rettura G, Seifter E, Englard S: Carnitine biosynthesis from gamma-butyrobetaine and from exogenous protein-bound 6-N-trimethyl-L-lysine by the perfused guinea pig liver. Effect of ascorbate deficiency on the in situ activity of gamma-butyrobetaine hydroxylase. J Biol Chem. 1984 Sep 10;259(17):10764-70.@@Vaz FM, van Gool S, Ofman R, IJlst L, Wanders RJ: Carnitine biosynthesis. Purification of gamma-butyrobetaine hydroxylase from rat liver. Adv Exp Med Biol. 1999;466:117-24.@@Rebouche CJ: Ascorbic acid and carnitine biosynthesis. Am J Clin Nutr. 1991 Dec;54(6 Suppl):1147S-1152S."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002200	PAM	P19021	AMD_HUMAN	cofactor	17570561; 16773376; 17002377; 9211255	"Romero I, Teresa Sanchez-Ballesta M, Maldonado R, Isabel Escribano M, Merodio C: Anthocyanin, antioxidant activity and stress-induced gene expression in high CO2-treated table grapes stored at low temperature. J Plant Physiol. 2008;165(5):522-30. Epub 2007 Jun 13.@@Floryszak-Wieczorek J, Milczarek G, Arasimowicz M, Ciszewski A: Do nitric oxide donors mimic endogenous NO-related response in plants? Planta. 2006 Nov;224(6):1363-72. Epub 2006 Jun 14.@@Crespo A, Marti MA, Roitberg AE, Amzel LM, Estrin DA: The catalytic mechanism of peptidylglycine alpha-hydroxylating monooxygenase investigated by computer simulation. J Am Chem Soc. 2006 Oct 4;128(39):12817-28.@@Kolhekar AS, Mains RE, Eipper BA: Peptidylglycine alpha-amidating monooxygenase: an ascorbate-requiring enzyme. Methods Enzymol. 1997;279:35-43. doi: 10.1016/s0076-6879(97)79007-4."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002206	P3H2	Q8IVL5	P3H2_HUMAN	cofactor	29289682	"Osipyants AI, Poloznikov AA, Smirnova NA, Hushpulian DM, Khristichenko AY, Chubar TA, Zakhariants AA, Ahuja M, Gaisina IN, Thomas B, Brown AM, Gazaryan IG, Tishkov VI: L-ascorbic acid: A true substrate for HIF prolyl hydroxylase? Biochimie. 2018 Apr;147:46-54. doi: 10.1016/j.biochi.2017.12.011. Epub 2017 Dec 28."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002213	ALKBH3	Q96Q83	ALKB3_HUMAN	activator	12486230	"Duncan T, Trewick SC, Koivisto P, Bates PA, Lindahl T, Sedgwick B: Reversal of DNA alkylation damage by two human dioxygenases. Proc Natl Acad Sci U S A. 2002 Dec 24;99(26):16660-5. Epub 2002 Dec 16."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002215	KDM5D	Q9BY66	KDM5D_HUMAN	cofactor	17320162	"Lee MG, Norman J, Shilatifard A, Shiekhattar R: Physical and functional association of a trimethyl H3K4 demethylase and Ring6a/MBLR, a polycomb-like protein. Cell. 2007 Mar 9;128(5):877-87. Epub 2007 Feb 22."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0000087	PLOD1	Q02809	PLOD1_HUMAN	cofactor	17100196; 11752352; 9344473	"Salavoura K, Valari M, Kolialexi A, Mavrou A, Kitsiou S: A case of Ehlers Danlos syndrome type VI. Genet Couns. 2006;17(3):291-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Yeowell HN, Walker LC, Murad S, Pinnell SR: A common duplication in the lysyl hydroxylase gene of patients with Ehlers Danlos syndrome type VI results in preferential stimulation of lysyl hydroxylase activity and mRNA by hydralazine. Arch Biochem Biophys. 1997 Nov 1;347(1):126-31. doi: 10.1006/abbi.1997.0319."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002221	TMLHE	Q9NVH6	TMLH_HUMAN	cofactor	17944936	"van Vlies N, Ofman R, Wanders RJ, Vaz FM: Submitochondrial localization of 6-N-trimethyllysine dioxygenase - implications for carnitine biosynthesis. FEBS J. 2007 Nov;274(22):5845-51. doi: 10.1111/j.1742-4658.2007.06108.x. Epub 2007 Oct 18."	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN	cofactor	29567393	Smirnoff N: Ascorbic acid metabolism and functions: A comparison of plants and mammals. Free Radic Biol Med. 2018 Jul;122:116-129. doi: 10.1016/j.freeradbiomed.2018.03.033. Epub 2018 Mar 20.	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00126	Ascorbic acid	BE0002219	EGLN3	Q9H6Z9	EGLN3_HUMAN	cofactor	29567393	Smirnoff N: Ascorbic acid metabolism and functions: A comparison of plants and mammals. Free Radic Biol Med. 2018 Jul;122:116-129. doi: 10.1016/j.freeradbiomed.2018.03.033. Epub 2018 Mar 20.	Approved; Nutraceutical	Butenolides	Organic compounds; Organoheterocyclic compounds; Dihydrofurans; Furanones	"Antioxidants; Vitamins; Carbohydrates; Growth Substances; Protective Agents; Urinary Acidifying Agents; Vitamin C and analogues; Hydroxy Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Biological Factors; Diet, Food, and Nutrition; Food; Acids, Acyclic; Gastrointestinal Acidifying Agents; Micronutrients; Compounds used in a research, industrial, or household setting; Sugar Acids; Physiological Phenomena; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Organic Acids; Sensory Organs"	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO		"Tyrosine Metabolism; Refsum Disease; The Oncogenic Action of Succinate; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Oxidation of Branched-Chain Fatty Acids; Catecholamine Biosynthesis; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Carnitine Synthesis; Phytanic Acid Peroxisomal Oxidation; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		645	46505070	D00018	PA451898		DNC000259	Vitamin_C	CHEMBL196	1151
DB00127	Spermine	BE0000404	ODC1	P11926	DCOR_HUMAN	product of	10698696; 10712236; 11160858; 11408092; 11413269; 21413019	"Nilsson J, Grahn B, Heby O: Antizyme inhibitor is rapidly induced in growth-stimulated mouse fibroblasts and releases ornithine decarboxylase from antizyme suppression. Biochem J. 2000 Mar 15;346 Pt 3:699-704.@@Ray RM, Viar MJ, Yuan Q, Johnson LR: Polyamine depletion delays apoptosis of rat intestinal epithelial cells. Am J Physiol Cell Physiol. 2000 Mar;278(3):C480-9.@@Korhonen VP, Niiranen K, Halmekyto M, Pietila M, Diegelman P, Parkkinen JJ, Eloranta T, Porter CW, Alhonen L, Janne J: Spermine deficiency resulting from targeted disruption of the spermine synthase gene in embryonic stem cells leads to enhanced sensitivity to antiproliferative drugs. Mol Pharmacol. 2001 Feb;59(2):231-8.@@Rohn G, Els T, Hell K, Ernestus RI: Regional distribution of ornithine decarboxylase activity and polyamine levels in experimental cat brain tumors. Neurochem Int. 2001 Aug;39(2):135-40.@@Ernestus RI, Rohn G, Schroder R, Els T, Klekner A, Paschen W, Klug N: Polyamine metabolism in brain tumours: diagnostic relevance of quantitative biochemistry. J Neurol Neurosurg Psychiatry. 2001 Jul;71(1):88-92.@@Lee NK, MacLean HE: Polyamines, androgens, and skeletal muscle hypertrophy. J Cell Physiol. 2011 Jun;226(6):1453-60. doi: 10.1002/jcp.22569."	Experimental; Nutraceutical	Dialkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OCT1 substrates; Supplements; Amines; Biogenic Amines; Dietary Supplements; Polyamines; Biogenic Polyamines	NCCCNCCCCNCCCN		Spermidine and Spermine Biosynthesis	metabolic			46507215		PA164781199			Spermine	CHEMBL23194	1483263
DB00127	Spermine	BE0000509	CASR	P41180	CASR_HUMAN		17041782	"El Hiani Y, Ahidouch A, Roudbaraki M, Guenin S, Brule G, Ouadid-Ahidouch H: Calcium-sensing receptor stimulation induces nonselective cation channel activation in breast cancer cells. J Membr Biol. 2006;211(2):127-37. Epub 2006 Oct 14."	Experimental; Nutraceutical	Dialkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OCT1 substrates; Supplements; Amines; Biogenic Amines; Dietary Supplements; Polyamines; Biogenic Polyamines	NCCCNCCCCNCCCN		Spermidine and Spermine Biosynthesis	metabolic			46507215		PA164781199			Spermine	CHEMBL23194	1483263
DB00128	Aspartic acid	BE0000277	SLC25A13	Q9UJS0	CMC2_HUMAN		17213189; 17591776; 17237342; 17354380; 17228780	"Contreras L, Gomez-Puertas P, Iijima M, Kobayashi K, Saheki T, Satrustegui J: Ca2+ Activation kinetics of the two aspartate-glutamate mitochondrial carriers, aralar and citrin: role in the heart malate-aspartate NADH shuttle. J Biol Chem. 2007 Mar 9;282(10):7098-106. Epub 2007 Jan 9.@@Saheki T, Iijima M, Li MX, Kobayashi K, Horiuchi M, Ushikai M, Okumura F, Meng XJ, Inoue I, Tajima A, Moriyama M, Eto K, Kadowaki T, Sinasac DS, Tsui LC, Tsuji M, Okano A, Kobayashi T: Citrin/mitochondrial glycerol-3-phosphate dehydrogenase double knock-out mice recapitulate features of human citrin deficiency. J Biol Chem. 2007 Aug 24;282(34):25041-52. Epub 2007 Jun 25.@@Satrustegui J, Pardo B, Del Arco A: Mitochondrial transporters as novel targets for intracellular calcium signaling. Physiol Rev. 2007 Jan;87(1):29-67.@@Ikeda S: [Adult-onset citrullinemia]. Brain Nerve. 2007 Jan;59(1):59-66.@@Ikeda S: [Adult-onset citrullinemia]. No To Shinkei. 2007 Jan;59(1):59-66."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0000219	ASNS	P08243	ASNS_HUMAN	substrate	27251594	"Yu Q, Wang X, Wang L, Zheng J, Wang J, Wang B: Knockdown of asparagine synthetase (ASNS) suppresses cell proliferation and inhibits tumor growth in gastric cancer cells. Scand J Gastroenterol. 2016 Oct;51(10):1220-6. doi: 10.1080/00365521.2016.1190399. Epub 2016 Jun 2."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0000671	ASS1	P00966	ASSY_HUMAN		17139284; 17016423; 17869551; 2791302; 15588718	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Flam BR, Eichler DC, Solomonson LP: Endothelial nitric oxide production is tightly coupled to the citrulline-NO cycle. Nitric Oxide. 2007 Nov-Dec;17(3-4):115-21. Epub 2007 Aug 3.@@Ben-Yoseph Y, Mitchell DA: Detection of kinetically abnormal argininosuccinate synthase in neonatal citrullinemia by conversion of citrulline to arginine in intact fibroblasts. Clin Chim Acta. 1989 Aug 15;183(2):125-33.@@Shen LJ, Beloussow K, Shen WC: Accessibility of endothelial and inducible nitric oxide synthase to the intracellular citrulline-arginine regeneration pathway. Biochem Pharmacol. 2005 Jan 1;69(1):97-104."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0000725	DARS	P14868	SYDC_HUMAN		17139284; 17016423; 10562565; 16597625; 8313877	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Eiler S, Dock-Bregeon A, Moulinier L, Thierry JC, Moras D: Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step. EMBO J. 1999 Nov 15;18(22):6532-41.@@Fender A, Sauter C, Messmer M, Putz J, Giege R, Florentz C, Sissler M: Loss of a primordial identity element for a mammalian mitochondrial aminoacylation system. J Biol Chem. 2006 Jun 9;281(23):15980-6. Epub 2006 Apr 5.@@Cavarelli J, Eriani G, Rees B, Ruff M, Boeglin M, Mitschler A, Martin F, Gangloff J, Thierry JC, Moras D: The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J. 1994 Jan 15;13(2):327-37."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0000235	SLC25A12	O75746	CMC1_HUMAN		17151801; 17213189; 17497669; 17237342	"Correia C, Coutinho AM, Diogo L, Grazina M, Marques C, Miguel T, Ataide A, Almeida J, Borges L, Oliveira C, Oliveira G, Vicente AM: Brief report: High frequency of biochemical markers for mitochondrial dysfunction in autism: no association with the mitochondrial aspartate/glutamate carrier SLC25A12 gene. J Autism Dev Disord. 2006 Nov;36(8):1137-40.@@Contreras L, Gomez-Puertas P, Iijima M, Kobayashi K, Saheki T, Satrustegui J: Ca2+ Activation kinetics of the two aspartate-glutamate mitochondrial carriers, aralar and citrin: role in the heart malate-aspartate NADH shuttle. J Biol Chem. 2007 Mar 9;282(10):7098-106. Epub 2007 Jan 9.@@Satrustegui J, Contreras L, Ramos M, Marmol P, del Arco A, Saheki T, Pardo B: Role of aralar, the mitochondrial transporter of aspartate-glutamate, in brain N-acetylaspartate formation and Ca(2+) signaling in neuronal mitochondria. J Neurosci Res. 2007 Nov 15;85(15):3359-66.@@Satrustegui J, Pardo B, Del Arco A: Mitochondrial transporters as novel targets for intracellular calcium signaling. Physiol Rev. 2007 Jan;87(1):29-67."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0000528	ASPH	Q12797	ASPH_HUMAN		17139284; 17016423; 6785382; 403177	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Whiteman P, Marks C, Freese E: The sodium effect of Bacillus subtilis growth on aspartate. J Gen Microbiol. 1980 Aug;119(2):493-504.@@Iijima T, Diesterhaft MD, Freese E: Sodium effect of growth on aspartate and genetic analysis of a Bacillus subtilis mutant with high aspartase activity. J Bacteriol. 1977 Mar;129(3):1440-7."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00128	Aspartic acid	BE0001054	SLC1A1	P43005	EAA3_HUMAN		17389249; 17535962; 17346885; 17663137	"Tao Z, Grewer C: Cooperation of the conserved aspartate 439 and bound amino acid substrate is important for high-affinity Na+ binding to the glutamate transporter EAAC1. J Gen Physiol. 2007 Apr;129(4):331-44.@@Teichman S, Kanner BI: Aspartate-444 is essential for productive substrate interactions in a neuronal glutamate transporter. J Gen Physiol. 2007 Jun;129(6):527-39.@@Tai YH, Wang YH, Tsai RY, Wang JJ, Tao PL, Liu TM, Wang YC, Wong CS: Amitriptyline preserves morphine's antinociceptive effect by regulating the glutamate transporter GLAST and GLT-1 trafficking and excitatory amino acids concentration in morphine-tolerant rats. Pain. 2007 Jun;129(3):343-54. Epub 2007 Mar 7.@@Ozawa S: [Role of glutamate transporters in excitatory synapses in cerebellar Purkinje cells]. Brain Nerve. 2007 Jul;59(7):669-76."	Approved; Nutraceutical	Aspartic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Acidic; Excitatory Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	N[C@@H](CC(O)=O)C(O)=O		"Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Xanthinuria Type I; Hyperornithinemia with Gyrate Atrophy (HOGA); Purine Nucleoside Phosphorylase Deficiency; Carnosinuria, Carnosinemia; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Mitochondrial DNA Depletion Syndrome; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Malate-Aspartate Shuttle; Arginine and Proline Metabolism; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action		9397	46507997	D00013	PA448494			Aspartic_acid	CHEMBL274323	1169
DB00129	Ornithine	BE0000286	ARG1	P05089	ARGI1_HUMAN		11971019; 12135320; 12446178; 12589193; 12679340	"Gobert AP, Cheng Y, Wang JY, Boucher JL, Iyer RK, Cederbaum SD, Casero RA Jr, Newton JC, Wilson KT: Helicobacter pylori induces macrophage apoptosis by activation of arginase II. J Immunol. 2002 May 1;168(9):4692-700.@@Iwata S, Tsujino T, Ikeda Y, Ishida T, Ueyama T, Gotoh T, Mori M, Yokoyama M: Decreased expression of arginase II in the kidneys of Dahl salt-sensitive rats. Hypertens Res. 2002 May;25(3):411-8.@@Stickings P, Mistry SK, Boucher JL, Morris SM, Cunningham JM: Arginase expression and modulation of IL-1beta-induced nitric oxide generation in rat and human islets of Langerhans. Nitric Oxide. 2002 Dec;7(4):289-96.@@Bansal V, Ochoa JB: Arginine availability, arginase, and the immune response. Curr Opin Clin Nutr Metab Care. 2003 Mar;6(2):223-8.@@El Alami M, Dubois E, Oudjama Y, Tricot C, Wouters J, Stalon V, Messenguy F: Yeast epiarginase regulation, an enzyme-enzyme activity control: identification of residues of ornithine carbamoyltransferase and arginase responsible for enzyme catalytic and regulatory activities. J Biol Chem. 2003 Jun 13;278(24):21550-8. Epub 2003 Apr 4."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism"	NCCC[C@H](N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic		11709	46505239		PA164783814			Ornithine	CHEMBL446143	7704
DB00129	Ornithine	BE0000212	SLC7A1	P30825	CTR1_HUMAN		15491978; 17065601; 16703566; 17197568	"Rotmann A, Strand D, Martine U, Closs EI: Protein kinase C activation promotes the internalization of the human cationic amino acid transporter hCAT-1. A new regulatory mechanism for hCAT-1 activity. J Biol Chem. 2004 Dec 24;279(52):54185-92. Epub 2004 Oct 15.@@Cerec V, Piquet-Pellorce C, Aly HA, Touzalin AM, Jegou B, Bauche F: Multiple pathways for cationic amino acid transport in rat seminiferous tubule cells. Biol Reprod. 2007 Feb;76(2):241-9. Epub 2006 Oct 25.@@Yeramian A, Martin L, Arpa L, Bertran J, Soler C, McLeod C, Modolell M, Palacin M, Lloberas J, Celada A: Macrophages require distinct arginine catabolism and transport systems for proliferation and for activation. Eur J Immunol. 2006 Jun;36(6):1516-26.@@Kaneko S, Ando A, Okuda-Ashitaka E, Maeda M, Furuta K, Suzuki M, Matsumura M, Ito S: Ornithine transport via cationic amino acid transporter-1 is involved in ornithine cytotoxicity in retinal pigment epithelial cells. Invest Ophthalmol Vis Sci. 2007 Jan;48(1):464-71."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism"	NCCC[C@H](N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic		11709	46505239		PA164783814			Ornithine	CHEMBL446143	7704
DB00129	Ornithine	BE0000562	SLC7A2	P52569	CTR2_HUMAN		16703566; 17065601; 12679322	"Yeramian A, Martin L, Arpa L, Bertran J, Soler C, McLeod C, Modolell M, Palacin M, Lloberas J, Celada A: Macrophages require distinct arginine catabolism and transport systems for proliferation and for activation. Eur J Immunol. 2006 Jun;36(6):1516-26.@@Cerec V, Piquet-Pellorce C, Aly HA, Touzalin AM, Jegou B, Bauche F: Multiple pathways for cationic amino acid transport in rat seminiferous tubule cells. Biol Reprod. 2007 Feb;76(2):241-9. Epub 2006 Oct 25.@@Endo M, Oyadomari S, Terasaki Y, Takeya M, Suga M, Mori M, Gotoh T: Induction of arginase I and II in bleomycin-induced fibrosis of mouse lung. Am J Physiol Lung Cell Mol Physiol. 2003 Aug;285(2):L313-21. Epub 2003 Apr 4."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism"	NCCC[C@H](N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic		11709	46505239		PA164783814			Ornithine	CHEMBL446143	7704
DB00129	Ornithine	BE0000758	ARG2	P78540	ARGI2_HUMAN		12874210; 14871882; 15539552; 15548540; 15753084	"Rodriguez PC, Zea AH, DeSalvo J, Culotta KS, Zabaleta J, Quiceno DG, Ochoa JB, Ochoa AC: L-arginine consumption by macrophages modulates the expression of CD3 zeta chain in T lymphocytes. J Immunol. 2003 Aug 1;171(3):1232-9.@@Levillain O, Hus-Citharel A, Garvi S, Peyrol S, Reymond I, Mutin M, Morel F: Ornithine metabolism in male and female rat kidney: mitochondrial expression of ornithine aminotransferase and arginase II. Am J Physiol Renal Physiol. 2004 Apr;286(4):F727-38. Epub 2004 Feb 10.@@Levillain O, Diaz JJ, Blanchard O, Dechaud H: Testosterone down-regulates ornithine aminotransferase gene and up-regulates arginase II and ornithine decarboxylase genes for polyamines synthesis in the murine kidney. Endocrinology. 2005 Feb;146(2):950-9. Epub 2004 Nov 11.@@Bussiere FI, Chaturvedi R, Cheng Y, Gobert AP, Asim M, Blumberg DR, Xu H, Kim PY, Hacker A, Casero RA Jr, Wilson KT: Spermine causes loss of innate immune response to Helicobacter pylori by inhibition of inducible nitric-oxide synthase translation. J Biol Chem. 2005 Jan 28;280(4):2409-12. Epub 2004 Nov 17.@@Nissim I, Luhovyy B, Horyn O, Daikhin Y, Nissim I, Yudkoff M: The role of mitochondrially bound arginase in the regulation of urea synthesis: studies with [U-15N4]arginine, isolated mitochondria, and perfused rat liver. J Biol Chem. 2005 May 6;280(18):17715-24. Epub 2005 Mar 7."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism"	NCCC[C@H](N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic		11709	46505239		PA164783814			Ornithine	CHEMBL446143	7704
DB00129	Ornithine	BE0000347	GATM	P50440	GATM_HUMAN		17139284; 17016423; 7173402; 11691635; 5335895	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Thomasset N, Quash GA, Dore JF: The differential contribution of arginase and transamidinase to ornithine biosynthesis in two achromic human melanoma cell lines. FEBS Lett. 1982 Nov 1;148(1):63-6.@@Natesan S, Reddy SR: Compensatory changes in enzymes of arginine metabolism during renal hypertrophy in mice. Comp Biochem Physiol B Biochem Mol Biol. 2001 Dec;130(4):585-95.@@Mitruka BM, Costilow RN: Arginine and ornithine catabolism by Clostridium botulinum. J Bacteriol. 1967 Jan;93(1):295-301."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Oligopeptides; Amino Acids, Peptides, and Proteins; Liver Therapy, Lipotropics; Peptides; Liver Therapy; Dietary Supplements; Amino Acids, Diamino; Bile and Liver Therapy; Alimentary Tract and Metabolism"	NCCC[C@H](N)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Spermidine and Spermine Biosynthesis; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic		11709	46505239		PA164783814			Ornithine	CHEMBL446143	7704
DB00130	L-Glutamine	BE0000374	PPAT	Q06203	PUR1_HUMAN	substrate	10387030	"Raushel FM, Thoden JB, Holden HM: The amidotransferase family of enzymes: molecular machines for the production and delivery of ammonia. Biochemistry. 1999 Jun 22;38(25):7891-9. doi: 10.1021/bi990871p."	Approved; Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids and Derivatives; Glutamine; Dietary Supplements; Amino Acids, Diamino; Alimentary Tract and Metabolism; Amino Acids, Neutral"	N[C@@H](CCC(N)=O)C(O)=O		"Citrullinemia Type I; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Phenylacetate Metabolism; Tay-Sachs Disease; Purine Nucleoside Phosphorylase Deficiency; Amino Sugar Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Argininosuccinic Aciduria; Xanthine Dehydrogenase Deficiency (Xanthinuria); Salla Disease/Infantile Sialic Acid Storage Disease; Hyperinsulinism-Hyperammonemia Syndrome; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Glutaminolysis and Cancer; Mitochondrial DNA Depletion Syndrome; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Myoadenylate Deaminase Deficiency; Homocarnosinosis; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Ammonia Recycling"	disease; metabolic; drug_action			46505866	D00015	PA10090			Glutamine	CHEMBL930	4885
DB00131	Adenosine phosphate	BE0003540	ADK	P55263	ADK_HUMAN	product of	18560757; 17065073	"Park J, Gupta RS: Adenosine kinase and ribokinase--the RK family of proteins. Cell Mol Life Sci. 2008 Sep;65(18):2875-96. doi: 10.1007/s00018-008-8123-1.@@Leoncini R, Vannoni D, Santoro A, Giglioni S, Carli R, Marinello E: Adenosine kinase from rat liver: new biochemical properties. Nucleosides Nucleotides Nucleic Acids. 2006;25(9-11):1107-12."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0000350	ACSS2	Q9NR19	ACSA_HUMAN	product of	17350930; 17303131; 16981708; 17497934	"Ingram-Smith C, Smith KS: AMP-forming acetyl-CoA synthetases in Archaea show unexpected diversity in substrate utilization. Archaea. 2007 May;2(2):95-107.@@Linne U, Schafer A, Stubbs MT, Marahiel MA: Aminoacyl-coenzyme A synthesis catalyzed by adenylation domains. FEBS Lett. 2007 Mar 6;581(5):905-10. Epub 2007 Feb 7.@@Ingram-Smith C, Woods BI, Smith KS: Characterization of the acyl substrate binding pocket of acetyl-CoA synthetase. Biochemistry. 2006 Sep 26;45(38):11482-90.@@Reger AS, Carney JM, Gulick AM: Biochemical and crystallographic analysis of substrate binding and conformational changes in acetyl-CoA synthetase. Biochemistry. 2007 Jun 5;46(22):6536-46. Epub 2007 May 12."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0000269	ADCY1	Q08828	ADCY1_HUMAN	product of	16895552; 17229090; 11752352	"Yang ZF, Sun Y, Li CZ, Wang HW, Wang XJ, Zheng YQ, Liu K, Liu YM: Reduced sinoatrial cAMP content plays a role in postnatal heart rate slowing in the rabbit. Clin Exp Pharmacol Physiol. 2006 Aug;33(8):757-62.@@Nicol X, Bennis M, Ishikawa Y, Chan GC, Reperant J, Storm DR, Gaspar P: Role of the calcium modulated cyclases in the development of the retinal projections. Eur J Neurosci. 2006 Dec;24(12):3401-14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0000958	CREB1	P16220	CREB1_HUMAN	activator	16879221; 17083486; 17122581; 17300755; 17324065	"Ulfhammer E, Larsson P, Karlsson L, Hrafnkelsdottir T, Bokarewa M, Tarkowski A, Jern S: TNF-alpha mediated suppression of tissue type plasminogen activator expression in vascular endothelial cells is NF-kappaB- and p38 MAPK-dependent. J Thromb Haemost. 2006 Aug;4(8):1781-9.@@Saha B, Singh SK, Sarkar C, Bera R, Ratha J, Tobin DJ, Bhadra R: Activation of the Mitf promoter by lipid-stimulated activation of p38-stress signalling to CREB. Pigment Cell Res. 2006 Dec;19(6):595-605.@@Kozinn J, Mao L, Arora A, Yang L, Fibuch EE, Wang JQ: Inhibition of glutamatergic activation of extracellular signal-regulated protein kinases in hippocampal neurons by the intravenous anesthetic propofol. Anesthesiology. 2006 Dec;105(6):1182-91.@@Perlis RH, Purcell S, Fagerness J, Cusin C, Yamaki L, Fava M, Smoller JW: Clinical and genetic dissection of anger expression and CREB1 polymorphisms in major depressive disorder. Biol Psychiatry. 2007 Sep 1;62(5):536-40. Epub 2007 Feb 14.@@Brenhouse HC, Howe ML, Stellar JR: Differential activation of cAMP response element binding protein in discrete nucleus accumbens subregions during early and late cocaine sensitization. Behav Neurosci. 2007 Feb;121(1):212-7."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	product of	17333137; 16843095; 17088426	"Siuciak JA, Chapin DS, McCarthy SA, Martin AN: Antipsychotic profile of rolipram: efficacy in rats and reduced sensitivity in mice deficient in the phosphodiesterase-4B (PDE4B) enzyme. Psychopharmacology (Berl). 2007 Jun;192(3):415-24. Epub 2007 Mar 2.@@Porteous DJ, Thomson P, Brandon NJ, Millar JK: The genetics and biology of DISC1--an emerging role in psychosis and cognition. Biol Psychiatry. 2006 Jul 15;60(2):123-31.@@Terrin A, Di Benedetto G, Pertegato V, Cheung YF, Baillie G, Lynch MJ, Elvassore N, Prinz A, Herberg FW, Houslay MD, Zaccolo M: PGE(1) stimulation of HEK293 cells generates multiple contiguous domains with different [cAMP]: role of compartmentalized phosphodiesterases. J Cell Biol. 2006 Nov 6;175(3):441-51."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0001473	HINT1	P49773	HINT1_HUMAN	product of	17337452; 17158446; 17217311	"Chou TF, Tikh IB, Horta BA, Ghosh B, De Alencastro RB, Wagner CR: Engineered monomeric human histidine triad nucleotide-binding protein 1 hydrolyzes fluorogenic acyl-adenylate and lysyl-tRNA synthetase-generated lysyl-adenylate. J Biol Chem. 2007 May 18;282(20):15137-47. Epub 2007 Mar 2.@@Chou TF, Wagner CR: Lysyl-tRNA synthetase-generated lysyl-adenylate is a substrate for histidine triad nucleotide binding proteins. J Biol Chem. 2007 Feb 16;282(7):4719-27. Epub 2006 Dec 8.@@Chou TF, Baraniak J, Kaczmarek R, Zhou X, Cheng J, Ghosh B, Wagner CR: Phosphoramidate pronucleotides: a comparison of the phosphoramidase substrate specificity of human and Escherichia coli histidine triad nucleotide binding proteins. Mol Pharm. 2007 Mar-Apr;4(2):208-17. Epub 2007 Jan 12."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	product of	17088426	"Terrin A, Di Benedetto G, Pertegato V, Cheung YF, Baillie G, Lynch MJ, Elvassore N, Prinz A, Herberg FW, Houslay MD, Zaccolo M: PGE(1) stimulation of HEK293 cells generates multiple contiguous domains with different [cAMP]: role of compartmentalized phosphodiesterases. J Cell Biol. 2006 Nov 6;175(3):441-51."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00131	Adenosine phosphate	BE0002431	FBP1	P09467	F16P1_HUMAN	antagonist	7809062; 18650089	"Xue Y, Huang S, Liang JY, Zhang Y, Lipscomb WN: Crystal structure of fructose-1,6-bisphosphatase complexed with fructose 2,6-bisphosphate, AMP, and Zn2+ at 2.0-A resolution: aspects of synergism between inhibitors. Proc Natl Acad Sci U S A. 1994 Dec 20;91(26):12482-6.@@Hebeisen P, Kuhn B, Kohler P, Gubler M, Huber W, Kitas E, Schott B, Benz J, Joseph C, Ruf A: Allosteric FBPase inhibitors gain 10(5) times in potency when simultaneously binding two neighboring AMP sites. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4708-12. doi: 10.1016/j.bmcl.2008.06.103. Epub 2008 Jul 5."	Approved; Investigational; Nutraceutical; Withdrawn	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1		Leigh Syndrome; Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Fatty Acid Metabolism; Gentamicin Action Pathway; Pyruvate Dehydrogenase Complex Deficiency; Purine Nucleoside Phosphorylase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); Hyperinsulinism-Hyperammonemia Syndrome; Butyrate Metabolism; Pyruvate Metabolism; Pentose Phosphate Pathway; Propanoate Metabolism; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Roxithromycin Action Pathway; Purine Metabolism; Ammonia Recycling	disease; metabolic; drug_action			46507628	D02769	PA164744376		DAP001319	Adenosine_monophosphate	CHEMBL752	309
DB00132	alpha-Linolenic acid	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	inhibitor	17038422	"Matta JA, Miyares RL, Ahern GP: TRPV1 is a novel target for omega-3 polyunsaturated fatty acids. J Physiol. 2007 Jan 15;578(Pt 2):397-411. Epub 2006 Oct 12."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814; 16731579	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	agonist	21658928	"Zhang J, Kris-Etherton PM, Thompson JT, Hannon DB, Gillies PJ, Heuvel JP: Alpha-linolenic acid increases cholesterol efflux in macrophage-derived foam cells by decreasing stearoyl CoA desaturase 1 expression: evidence for a farnesoid-X-receptor mechanism of action. J Nutr Biochem. 2012 Apr;23(4):400-9. doi: 10.1016/j.jnutbio.2011.01.004. Epub 2011 Jun 11."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0000412	RXRA	P19793	RXRA_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0009936	ELOVL2	Q9NXB9	ELOV2_HUMAN	substrate	30507367	"Kim D, Choi JE, Park Y: Low-linoleic acid diet and oestrogen enhance the conversion of alpha-linolenic acid into DHA through modification of conversion enzymes and transcription factors. Br J Nutr. 2019 Jan;121(2):137-145. doi: 10.1017/S0007114518003252. Epub 2018 Dec 3."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00132	alpha-Linolenic acid	BE0000986	SLC8A1	P32418	NAC1_HUMAN		17139284; 17016423; 17059813	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ander BP, Hurtado C, Raposo CS, Maddaford TG, Deniset JF, Hryshko LV, Pierce GN, Lukas A: Differential sensitivities of the NCX1.1 and NCX1.3 isoforms of the Na+-Ca2+ exchanger to alpha-linolenic acid. Cardiovasc Res. 2007 Jan 15;73(2):395-403. Epub 2006 Sep 23."	Approved; Investigational; Nutraceutical	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives	"Supplements; Fatty Acids, Essential; Linolenic Acids; Lipids; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Dietary Supplements; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1351	46507620		PA449384			%CE%91-Linolenic_acid	CHEMBL8739	52071
DB00133	Serine	BE0000388	SRR	Q9GZT4	SRR_HUMAN		17499824; 17663143	"Fujitani Y, Horiuchi T, Ito K, Sugimoto M: Serine racemases from barley, Hordeum vulgare L., and other plant species represent a distinct eukaryotic group: gene cloning and recombinant protein characterization. Phytochemistry. 2007 Jun;68(11):1530-6. Epub 2007 May 17.@@Ying-Luan Z, Zhao YL, Mori H: [Role of D-serine in the mammalian brain]. Brain Nerve. 2007 Jul;59(7):725-30."	Investigational; Nutraceutical	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CO)C(O)=O		"Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling"	disease; metabolic		9927	46506450	D00016	PA451330			Serine	CHEMBL11298	9671
DB00133	Serine	BE0000660	SPTLC2	O15270	SPTC2_HUMAN		17559874	"Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10."	Investigational; Nutraceutical	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CO)C(O)=O		"Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling"	disease; metabolic		9927	46506450	D00016	PA451330			Serine	CHEMBL11298	9671
DB00133	Serine	BE0000441	SPTLC1	O15269	SPTC1_HUMAN		17559874	"Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10."	Investigational; Nutraceutical	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CO)C(O)=O		"Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling"	disease; metabolic		9927	46506450	D00016	PA451330			Serine	CHEMBL11298	9671
DB00133	Serine	BE0000316	AGXT	P21549	SPYA_HUMAN		17557831; 17322298; 17654249; 17559874	"Ikushiro H, Islam MM, Tojo H, Hayashi H: Molecular characterization of membrane-associated soluble serine palmitoyltransferases from Sphingobacterium multivorum and Bdellovibrio stolpii. J Bacteriol. 2007 Aug;189(15):5749-61. Epub 2007 Jun 8.@@Cowart LA, Hannun YA: Selective substrate supply in the regulation of yeast de novo sphingolipid synthesis. J Biol Chem. 2007 Apr 20;282(16):12330-40. Epub 2007 Feb 23.@@Son JH, Yoo HH, Kim DH: Activation of de novo synthetic pathway of ceramides is responsible for the initiation of hydrogen peroxide-induced apoptosis in HL-60 cells. J Toxicol Environ Health A. 2007 Aug;70(15-16):1310-8.@@Yard BA, Carter LG, Johnson KA, Overton IM, Dorward M, Liu H, McMahon SA, Oke M, Puech D, Barton GJ, Naismith JH, Campopiano DJ: The structure of serine palmitoyltransferase; gateway to sphingolipid biosynthesis. J Mol Biol. 2007 Jul 27;370(5):870-86. Epub 2007 May 10."	Investigational; Nutraceutical	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CO)C(O)=O		"Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/22:2(13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/24:1(15Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/18:0); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/24:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:3(8Z,11Z,14Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/14:0); Phosphatidylethanolamine Biosynthesis PE(14:0/22:1(13Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/18:1(11Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(9Z,12Z,15Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/14:1(9Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:1(9Z)); Glycine and Serine Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:0/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(15:0/16:0); Selenoamino Acid Metabolism; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylethanolamine Biosynthesis PE(14:0/15:0); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)); Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/18:3(6Z,9Z,12Z)); Cystathionine beta-Synthase Deficiency; Sarcosine Oncometabolite Pathway; Phosphatidylethanolamine Biosynthesis PE(14:1(9Z)/20:0); Phosphatidylethanolamine Biosynthesis PE(14:0/14:0); Globoid Cell Leukodystrophy; Phosphatidylethanolamine Biosynthesis PE(15:0/18:1(9Z)); Ammonia Recycling"	disease; metabolic		9927	46506450	D00016	PA451330			Serine	CHEMBL11298	9671
DB00134	Methionine	BE0000763	MTRR	Q9UBK8	MTRR_HUMAN	product of	17079868; 17101561; 17369066	"Kim DJ, Park BL, Koh JM, Kim GS, Kim LH, Cheong HS, Shin HD, Hong JM, Kim TH, Shin HI, Park EK, Kim SY: Methionine synthase reductase polymorphisms are associated with serum osteocalcin levels in postmenopausal women. Exp Mol Med. 2006 Oct 31;38(5):519-24.@@Tvedegaard KC, Rudiger NS, Pedersen BN, Moller J: Detection of MTRR 66A-->G polymorphism using the real-time polymerase chain reaction machine LightCycler for determination of composition of allele after restriction cleavage. Scand J Clin Lab Invest. 2006;66(8):685-93.@@Elmore CL, Wu X, Leclerc D, Watson ED, Bottiglieri T, Krupenko NI, Krupenko SA, Cross JC, Rozen R, Gravel RA, Matthews RG: Metabolic derangement of methionine and folate metabolism in mice deficient in methionine synthase reductase. Mol Genet Metab. 2007 May;91(1):85-97. Epub 2007 Mar 21."	Approved; Nutraceutical	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	CSCC[C@H](N)C(O)=O		Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway	disease; metabolic; drug_action		7217	46505750	D00019	PA450423			Methionine	CHEMBL42336	6837
DB00134	Methionine	BE0000734	MTR	Q99707	METH_HUMAN	product of	16618098; 16788729; 17052662; 17222188; 17615995	"Taurog RE, Matthews RG: Activation of methyltetrahydrofolate by cobalamin-independent methionine synthase. Biochemistry. 2006 Apr 25;45(16):5092-102.@@Hughes JA: In vivo hydrolysis of S-adenosyl-L-methionine in Escherichia coli increases export of 5-methylthioribose. Can J Microbiol. 2006 Jun;52(6):599-602.@@Reynolds E: Vitamin B12, folic acid, and the nervous system. Lancet Neurol. 2006 Nov;5(11):949-60.@@Banks EC, Doughty SW, Toms SM, Wheelhouse RT, Nicolaou A: Inhibition of cobalamin-dependent methionine synthase by substituted benzo-fused heterocycles. FEBS J. 2007 Jan;274(1):287-99.@@Yamada K, Kawata T, Wada M, Mori K, Tamai H, Tanaka N, Tadokoro T, Tobimatsu T, Toraya T, Maekawa A: Testicular injury to rats fed on soybean protein-based vitamin B12-deficient diet can be reduced by methionine supplementation. J Nutr Sci Vitaminol (Tokyo). 2007 Apr;53(2):95-101."	Approved; Nutraceutical	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	CSCC[C@H](N)C(O)=O		Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway	disease; metabolic; drug_action		7217	46505750	D00019	PA450423			Methionine	CHEMBL42336	6837
DB00134	Methionine	BE0001534	METAP2	P50579	MAP2_HUMAN	product of	16917013; 16789740; 16823043; 17114291; 16540317	"Upadhya R, Zhang HS, Weiss LM: System for expression of microsporidian methionine amino peptidase type 2 (MetAP2) in the yeast Saccharomyces cerevisiae. Antimicrob Agents Chemother. 2006 Oct;50(10):3389-95. Epub 2006 Aug 17.@@Sheppard GS, Wang J, Kawai M, Fidanze SD, BaMaung NY, Erickson SA, Barnes DM, Tedrow JS, Kolaczkowski L, Vasudevan A, Park DC, Wang GT, Sanders WJ, Mantei RA, Palazzo F, Tucker-Garcia L, Lou P, Zhang Q, Park CH, Kim KH, Petros A, Olejniczak E, Nettesheim D, Hajduk P, Henkin J, Lesniewski R, Davidsen SK, Bell RL: Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J Med Chem. 2006 Jun 29;49(13):3832-49.@@Addlagatta A, Matthews BW: Structure of the angiogenesis inhibitor ovalicin bound to its noncognate target, human Type 1 methionine aminopeptidase. Protein Sci. 2006 Aug;15(8):1842-8. Epub 2006 Jul 5.@@Hu X, Addlagatta A, Lu J, Matthews BW, Liu JO: Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression. Proc Natl Acad Sci U S A. 2006 Nov 28;103(48):18148-53. Epub 2006 Nov 17.@@Nonato MC, Widom J, Clardy J: Human methionine aminopeptidase type 2 in complex with L- and D-methionine. Bioorg Med Chem Lett. 2006 May 15;16(10):2580-3. Epub 2006 Mar 15."	Approved; Nutraceutical	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	CSCC[C@H](N)C(O)=O		Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway	disease; metabolic; drug_action		7217	46505750	D00019	PA450423			Methionine	CHEMBL42336	6837
DB00134	Methionine	BE0002249	BHMT2	Q9H2M3	BHMT2_HUMAN	product of	18230605	"Szegedi SS, Castro CC, Koutmos M, Garrow TA: Betaine-homocysteine S-methyltransferase-2 is an S-methylmethionine-homocysteine methyltransferase. J Biol Chem. 2008 Apr 4;283(14):8939-45. doi: 10.1074/jbc.M710449200. Epub 2008 Jan 29."	Approved; Nutraceutical	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Antidotes; Amino Acids, Essential; Amino Acids, Sulfur; Sulfur Compounds; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	CSCC[C@H](N)C(O)=O		Demeclocycline Action Pathway; Spermidine and Spermine Biosynthesis; Lincomycin Action Pathway; Gentamicin Action Pathway; Josamycin Action Pathway; Methionine Adenosyltransferase Deficiency; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Betaine Metabolism; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Methionine Metabolism; Spectinomycin Action Pathway; Doxycycline Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Cystathionine beta-Synthase Deficiency; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosine Oncometabolite Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway	disease; metabolic; drug_action		7217	46505750	D00019	PA450423			Methionine	CHEMBL42336	6837
DB00135	Tyrosine	BE0000363	YARS2	Q9Y2Z4	SYYM_HUMAN		17139284; 17016423; 15840835; 12097643; 12754495	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang Y, Wang L, Schultz PG, Wilson IA: Crystal structures of apo wild-type M. jannaschii tyrosyl-tRNA synthetase (TyrRS) and an engineered TyrRS specific for O-methyl-L-tyrosine. Protein Sci. 2005 May;14(5):1340-9.@@Kiga D, Sakamoto K, Kodama K, Kigawa T, Matsuda T, Yabuki T, Shirouzu M, Harada Y, Nakayama H, Takio K, Hasegawa Y, Endo Y, Hirao I, Yokoyama S: An engineered Escherichia coli tyrosyl-tRNA synthetase for site-specific incorporation of an unnatural amino acid into proteins in eukaryotic translation and its application in a wheat germ cell-free system. Proc Natl Acad Sci U S A. 2002 Jul 23;99(15):9715-20. Epub 2002 Jul 3.@@Kobayashi T, Nureki O, Ishitani R, Yaremchuk A, Tukalo M, Cusack S, Sakamoto K, Yokoyama S: Structural basis for orthogonal tRNA specificities of tyrosyl-tRNA synthetases for genetic code expansion. Nat Struct Biol. 2003 Jun;10(6):425-32."	Approved; Investigational; Nutraceutical	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O		"Dopamine beta-Hydroxylase Deficiency; Tyrosine Metabolism; Thyroid Hormone Synthesis; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Phenylketonuria; Tyrosinemia, Transient, of the Newborn; Tyrosinemia Type 3 (TYRO3); Hawkinsinuria; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency"	disease; metabolic; drug_action		9750	46507885	D00022	PA451822		DAP000808	Tyrosine	CHEMBL925	10962
DB00136	Calcitriol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	15503649; 11752352	"Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Antipsoriatics for Topical Use; Vitamins; Growth Substances; Cytochrome P-450 CYP3A Substrates; Cholestenes; Antipsoriatics; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Misc. Skin and Mucous Membrane Agents; Steroids; Membrane Transport Modulators; Alimentary Tract and Metabolism; Fused-Ring Compounds; Diet, Food, and Nutrition; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Lipids; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Secosteroids; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Cytochrome P-450 CYP3A Inducers; Membrane Lipids"	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C					4893	46508162	D00129	PA448717		DAP000289	Calcitriol	CHEMBL846	1894
DB00138	Cystine	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN		11867597; 12065721; 12498985; 16014042; 12898700	"Tomi M, Hosoya K, Takanaga H, Ohtsuki S, Terasaki T: Induction of xCT gene expression and L-cystine transport activity by diethyl maleate at the inner blood-retinal barrier. Invest Ophthalmol Vis Sci. 2002 Mar;43(3):774-9.@@Hosoya K, Tomi M, Ohtsuki S, Takanaga H, Saeki S, Kanai Y, Endou H, Naito M, Tsuruo T, Terasaki T: Enhancement of L-cystine transport activity and its relation to xCT gene induction at the blood-brain barrier by diethyl maleate treatment. J Pharmacol Exp Ther. 2002 Jul;302(1):225-31.@@Ruiz E, Siow RC, Bartlett SR, Jenner AM, Sato H, Bannai S, Mann GE: Vitamin C inhibits diethylmaleate-induced L-cystine transport in human vascular smooth muscle cells. Free Radic Biol Med. 2003 Jan 1;34(1):103-10.@@Bridges CC, Zalups RK: Cystine and glutamate transport in renal epithelial cells transfected with human system x(-) (c). Kidney Int. 2005 Aug;68(2):653-64.@@Tomi M, Funaki T, Abukawa H, Katayama K, Kondo T, Ohtsuki S, Ueda M, Obinata M, Terasaki T, Hosoya K: Expression and regulation of L-cystine transporter, system xc-, in the newly developed rat retinal Muller cell line (TR-MUL). Glia. 2003 Sep;43(3):208-17."	Approved; Nutraceutical	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Disulfides; Anions; Hydrogen Sulfide; Ions; Sulfides; Amino Acids, Peptides, and Proteins; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Diamino; Electrolytes; Amino Acids, Dicarboxylic"	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O					9749	46506670	D03636	PA449176			Cystine	CHEMBL590540	3036
DB00141	N-Acetylglucosamine	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		15736931; 16157350; 17370997; 17203585; 15449940	"Ramakrishnan B, Boeggeman E, Qasba PK: Mutation of arginine 228 to lysine enhances the glucosyltransferase activity of bovine beta-1,4-galactosyltransferase I. Biochemistry. 2005 Mar 8;44(9):3202-10.@@Ramasamy V, Ramakrishnan B, Boeggeman E, Ratner DM, Seeberger PH, Qasba PK: Oligosaccharide preferences of beta1,4-galactosyltransferase-I: crystal structures of Met340His mutant of human beta1,4-galactosyltransferase-I with a pentasaccharide and trisaccharides of the N-glycan moiety. J Mol Biol. 2005 Oct 14;353(1):53-67.@@Boeggeman E, Ramakrishnan B, Kilgore C, Khidekel N, Hsieh-Wilson LC, Simpson JT, Qasba PK: Direct identification of nonreducing GlcNAc residues on N-glycans of glycoproteins using a novel chemoenzymatic method. Bioconjug Chem. 2007 May-Jun;18(3):806-14. Epub 2007 Mar 20.@@Hidalgo A, Burgos V, Viola H, Medina J, Argibay P: Differential expression of glycans in the hippocampus of rats trained on an inhibitory learning paradigm. Neuropathology. 2006 Dec;26(6):501-7.@@Ramakrishnan B, Boeggeman E, Qasba PK: Effect of the Met344His mutation on the conformational dynamics of bovine beta-1,4-galactosyltransferase: crystal structure of the Met344His mutant in complex with chitobiose. Biochemistry. 2004 Oct 5;43(39):12513-22."	Approved; Investigational; Nutraceutical	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Supplements; Carbohydrates; Amino Sugars; Dietary Supplements; Hexosamines	[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO		"G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Sialuria or French Type Sialuria; Tay-Sachs Disease; Salla Disease/Infantile Sialic Acid Storage Disease; Amino Sugar Metabolism"	disease; metabolic			46509139		PA164752287		DAP000872	N-Acetylglucosamine	CHEMBL4303483	1362871
DB00142	Glutamic acid	BE0000824	GRM1	Q13255	GRM1_HUMAN		17360958; 16751798; 17331504	"Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14.@@Chiocchetti A, Miglio G, Mesturini R, Varsaldi F, Mocellin M, Orilieri E, Dianzani C, Fantozzi R, Dianzani U, Lombardi G: Group I mGlu receptor stimulation inhibits activation-induced cell death of human T lymphocytes. Br J Pharmacol. 2006 Jul;148(6):760-8. Epub 2006 Jun 5.@@San Gabriel AM, Maekawa T, Uneyama H, Yoshie S, Torii K: mGluR1 in the fundic glands of rat stomach. FEBS Lett. 2007 Mar 20;581(6):1119-23. Epub 2007 Feb 22."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000833	GRM4	Q14833	GRM4_HUMAN		17360958	"Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000827	GRIK4	Q16099	GRIK4_HUMAN		17139284; 17016423; 8589992	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Korczak B, Nutt SL, Fletcher EJ, Hoo KH, Elliott CE, Rampersad V, McWhinnie EA, Kamboj RK: cDNA cloning and functional properties of human glutamate receptor EAA3 (GluR5) in homomeric and heteromeric configuration. Receptors Channels. 1995;3(1):41-9."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000834	GRM7	Q14831	GRM7_HUMAN		17360958	"Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000835	GRM8	O00222	GRM8_HUMAN		17360958; 16957773	"Suzuki G, Kimura T, Satow A, Kaneko N, Fukuda J, Hikichi H, Sakai N, Maehara S, Kawagoe-Takaki H, Hata M, Azuma T, Ito S, Kawamoto H, Ohta H: Pharmacological characterization of a new, orally active and potent allosteric metabotropic glutamate receptor 1 antagonist, 4-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-isopropyl-N-methyl- 3,6-dihydropyridine-1(2H)-carboxamide (FTIDC). J Pharmacol Exp Ther. 2007 Jun;321(3):1144-53. Epub 2007 Mar 14.@@Morimoto R, Uehara S, Yatsushiro S, Juge N, Hua Z, Senoh S, Echigo N, Hayashi M, Mizoguchi T, Ninomiya T, Udagawa N, Omote H, Yamamoto A, Edwards RH, Moriyama Y: Secretion of L-glutamate from osteoclasts through transcytosis. EMBO J. 2006 Sep 20;25(18):4175-86. Epub 2006 Sep 7."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002267	SLC1A7	O00341	EAA5_HUMAN		17139284; 17016423; 15128272; 9108121	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Takarada T, Hinoi E, Balcar VJ, Taniura H, Yoneda Y: Possible expression of functional glutamate transporters in the rat testis. J Endocrinol. 2004 May;181(2):233-44.@@Arriza JL, Eliasof S, Kavanaugh MP, Amara SG: Excitatory amino acid transporter 5, a retinal glutamate transporter coupled to a chloride conductance. Proc Natl Acad Sci U S A. 1997 Apr 15;94(8):4155-60."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002235	PFAS	O15067	PUR4_HUMAN		17139284; 17016423; 2347042	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jayaram HN, Lui MS, Plowman J, Pillwein K, Reardon MA, Elliott WL, Weber G: Oncolytic activity and mechanism of action of a novel L-cysteine derivative, L-cysteine, ethyl ester, S-(N-methylcarbamate) monohydrochloride. Cancer Chemother Pharmacol. 1990;26(2):88-92."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000825	GLS	O94925	GLSK_HUMAN		16824605; 16720907; 16815871; 16861819; 16952838	"Karmaker S, Saha TK, Yoshikawa Y, Yasui H, Sakurai H: A novel drug delivery system for type 1 diabetes: insulin-mimetic vanadyl-poly(gamma-glutamic acid) complex. J Inorg Biochem. 2006 Sep;100(9):1535-46. Epub 2006 May 24.@@Shi F, Xu Z, Cen P: Efficient production of poly-gamma-glutamic acid by Bacillus subtilis ZJU-7. Appl Biochem Biotechnol. 2006 Jun;133(3):271-82.@@Yang XX, Hu ZP, Xu AL, Duan W, Zhu YZ, Huang M, Sheu FS, Zhang Q, Bian JS, Chan E, Li X, Wang JC, Zhou SF: A mechanistic study on reduced toxicity of irinotecan by coadministered thalidomide, a tumor necrosis factor-alpha inhibitor. J Pharmacol Exp Ther. 2006 Oct;319(1):82-104. Epub 2006 Jun 30.@@Ashiuchi M, Shimanouchi K, Horiuchi T, Kamei T, Misono H: Genetically engineered poly-gamma-glutamate producer from Bacillus subtilis ISW1214. Biosci Biotechnol Biochem. 2006 Jul;70(7):1794-7.@@Ashiuchi M, Nakamura H, Yamamoto M, Misono H: Novel poly-gamma-glutamate-processing enzyme catalyzing gamma-glutamyl DD-amidohydrolysis. J Biosci Bioeng. 2006 Jul;102(1):60-5."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000188	EPRS	P07814	SYEP_HUMAN		17139284; 17016423; 9063462; 8132637	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cerini C, Semeriva M, Gratecos D: Evolution of the aminoacyl-tRNA synthetase family and the organization of the Drosophila glutamyl-prolyl-tRNA synthetase gene. Intron/exon structure of the gene, control of expression of the two mRNAs, selective advantage of the multienzyme complex. Eur J Biochem. 1997 Feb 15;244(1):176-85.@@Ting SM, Dignam JD: Post-transcriptional regulation of glutamyl-prolyl-tRNA synthetase in rat salivary gland. J Biol Chem. 1994 Mar 25;269(12):8993-8."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000219	ASNS	P08243	ASNS_HUMAN		8608142	"Boehlein SK, Schuster SM, Richards NG: Glutamic acid gamma-monohydroxamate and hydroxylamine are alternate substrates for Escherichia coli asparagine synthetase B. Biochemistry. 1996 Mar 5;35(9):3031-7. doi: 10.1021/bi952505l."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0001115	SLC1A3	P43003	EAA1_HUMAN		16855093; 17088867; 16959378	"Glowatzki E, Cheng N, Hiel H, Yi E, Tanaka K, Ellis-Davies GC, Rothstein JD, Bergles DE: The glutamate-aspartate transporter GLAST mediates glutamate uptake at inner hair cell afferent synapses in the mammalian cochlea. J Neurosci. 2006 Jul 19;26(29):7659-64.@@Beart PM, O'Shea RD: Transporters for L-glutamate: an update on their molecular pharmacology and pathological involvement. Br J Pharmacol. 2007 Jan;150(1):5-17. Epub 2006 Nov 6.@@Nickell J, Salvatore MF, Pomerleau F, Apparsundaram S, Gerhardt GA: Reduced plasma membrane surface expression of GLAST mediates decreased glutamate regulation in the aged striatum. Neurobiol Aging. 2007 Nov;28(11):1737-48. Epub 2006 Sep 7."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000884	SLC1A2	P43004	EAA2_HUMAN		16718509; 16959378; 17088867; 16855093	"King N, Lin H, McGivan JD, Suleiman MS: Expression and activity of the glutamate transporter EAAT2 in cardiac hypertrophy: implications for ischaemia reperfusion injury. Pflugers Arch. 2006 Sep;452(6):674-82. Epub 2006 May 23.@@Nickell J, Salvatore MF, Pomerleau F, Apparsundaram S, Gerhardt GA: Reduced plasma membrane surface expression of GLAST mediates decreased glutamate regulation in the aged striatum. Neurobiol Aging. 2007 Nov;28(11):1737-48. Epub 2006 Sep 7.@@Beart PM, O'Shea RD: Transporters for L-glutamate: an update on their molecular pharmacology and pathological involvement. Br J Pharmacol. 2007 Jan;150(1):5-17. Epub 2006 Nov 6.@@Glowatzki E, Cheng N, Hiel H, Yi E, Tanaka K, Ellis-Davies GC, Rothstein JD, Bergles DE: The glutamate-aspartate transporter GLAST mediates glutamate uptake at inner hair cell afferent synapses in the mammalian cochlea. J Neurosci. 2006 Jul 19;26(29):7659-64."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0001054	SLC1A1	P43005	EAA3_HUMAN		16831195; 17382927; 17389249; 16959378	"Menaker D, Bendahan A, Kanner BI: The substrate specificity of a neuronal glutamate transporter is determined by the nature of the coupling ion. J Neurochem. 2006 Oct;99(1):20-8. Epub 2006 Jul 11.@@Yun JY, Park KS, Kim JH, Do SH, Zuo Z: Propofol reverses oxidative stress-attenuated glutamate transporter EAAT3 activity: evidence of protein kinase C involvement. Eur J Pharmacol. 2007 Jun 22;565(1-3):83-8. Epub 2007 Mar 3.@@Tao Z, Grewer C: Cooperation of the conserved aspartate 439 and bound amino acid substrate is important for high-affinity Na+ binding to the glutamate transporter EAAC1. J Gen Physiol. 2007 Apr;129(4):331-44.@@Nickell J, Salvatore MF, Pomerleau F, Apparsundaram S, Gerhardt GA: Reduced plasma membrane surface expression of GLAST mediates decreased glutamate regulation in the aged striatum. Neurobiol Aging. 2007 Nov;28(11):1737-48. Epub 2006 Sep 7."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000166	GCLC	P48506	GSH1_HUMAN	substrate	22995213	Lu SC: Glutathione synthesis. Biochim Biophys Acta. 2013 May;1830(5):3143-53. doi: 10.1016/j.bbagen.2012.09.008. Epub 2012 Sep 17.	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002270	SLC1A6	P48664	EAA4_HUMAN		17139284; 17016423; 9224806; 9838098	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gegelashvili G, Schousboe A: High affinity glutamate transporters: regulation of expression and activity. Mol Pharmacol. 1997 Jul;52(1):6-15.@@Lin CL, Tzingounis AV, Jin L, Furuta A, Kavanaugh MP, Rothstein JD: Molecular cloning and expression of the rat EAAT4 glutamate transporter subtype. Brain Res Mol Brain Res. 1998 Dec 10;63(1):174-9."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000517	BCAT1	P54687	BCAT1_HUMAN		17559390	"Smirnov SV, Samsonova NN, Novikova AE, Matrosov NG, Rushkevich NY, Kodera T, Ogawa J, Yamanaka H, Shimizu S: A novel strategy for enzymatic synthesis of 4-hydroxyisoleucine: identification of an enzyme possessing HMKP (4-hydroxy-3-methyl-2-keto-pentanoate) aldolase activity. FEMS Microbiol Lett. 2007 Aug;273(1):70-7. Epub 2007 Jun 6."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000253	ABAT	P80404	GABT_HUMAN		17139284; 17016423; 1983997; 3299141; 8979623	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Imai H, Okuno T, Wu JY, Lee TJ: GABAergic innervation in cerebral blood vessels: an immunohistochemical demonstration of L-glutamic acid decarboxylase and GABA transaminase. J Cereb Blood Flow Metab. 1991 Jan;11(1):129-34.@@Happola O, Paivarinta H, Soinila S, Wu JY, Panula P: Localization of L-glutamate decarboxylase and GABA transaminase immunoreactivity in the sympathetic ganglia of the rat. Neuroscience. 1987 Apr;21(1):271-81.@@Far SR, Millimoria FR: Levels of glutamic acid decarboxylase (GAD), gamma amino butyric acid transaminase (GABA-T), glutamic acid dehydrogenase (GLDH) and proteins in cerebrospinal fluid of certain neurological disorders. Indian J Med Sci. 1996 Apr;50(4):99-102."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002271	ENPEP	Q07075	AMPE_HUMAN		17139284; 17016423; 7448199; 11732752; 8568030	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tobe H, Kojima F, Aoyagi T, Umezawa H: Purification by affinity chromatography using amastatin and properties of aminopeptidase A from pig kidney. Biochim Biophys Acta. 1980 Jun 13;613(2):459-68.@@Acarturk F, Parlatan ZI, Saracoglu OF: Comparison of vaginal aminopeptidase enzymatic activities in various animals and in humans. J Pharm Pharmacol. 2001 Nov;53(11):1499-504.@@Sasaki M, Bosman BW, Tan PS: Comparison of proteolytic activities in various lactobacilli. J Dairy Res. 1995 Nov;62(4):601-10."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN		17139284; 17016423; 12068077; 11080203; 8886398	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rutter AR, Freeman FM, Stephenson FA: Further characterization of the molecular interaction between PSD-95 and NMDA receptors: the effect of the NR1 splice variant and evidence for modulation of channel gating. J Neurochem. 2002 Jun;81(6):1298-307.@@Rutter AR, Stephenson FA: Coexpression of postsynaptic density-95 protein with NMDA receptors results in enhanced receptor expression together with a decreased sensitivity to L-glutamate. J Neurochem. 2000 Dec;75(6):2501-10.@@Bresink I, Benke TA, Collett VJ, Seal AJ, Parsons CG, Henley JM, Collingridge GL: Effects of memantine on recombinant rat NMDA receptors expressed in HEK 293 cells. Br J Pharmacol. 1996 Sep;119(2):195-204."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN		17229973; 17662248	"Verkhratsky A, Kirchhoff F: NMDA Receptors in glia. Neuroscientist. 2007 Feb;13(1):28-37.@@Miglio G, Dianzani C, Fallarini S, Fantozzi R, Lombardi G: Stimulation of N-methyl-D-aspartate receptors modulates Jurkat T cell growth and adhesion to fibronectin. Biochem Biophys Res Commun. 2007 Sep 21;361(2):404-9. Epub 2007 Jul 20."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002244	NADSYN1	Q6IA69	NADE_HUMAN	product of	19647806	"Resto M, Yaffe J, Gerratana B: An ancestral glutamine-dependent NAD(+) synthetase revealed by poor kinetic synergism. Biochim Biophys Acta. 2009 Nov;1794(11):1648-53. doi: 10.1016/j.bbapap.2009.07.014. Epub 2009 Aug 6."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN		16641235	"Yao Y, Mayer ML: Characterization of a soluble ligand binding domain of the NMDA receptor regulatory subunit NR3A. J Neurosci. 2006 Apr 26;26(17):4559-66. doi: 10.1523/JNEUROSCI.0560-06.2006."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0002166	GPT2	Q8TD30	ALAT2_HUMAN	substrate	27601654; 25830496; 22200652	"Ouyang Q, Nakayama T, Baytas O, Davidson SM, Yang C, Schmidt M, Lizarraga SB, Mishra S, Ei-Quessny M, Niaz S, Gul Butt M, Imran Murtaza S, Javed A, Chaudhry HR, Vaughan DJ, Hill RS, Partlow JN, Yoo SY, Lam AT, Nasir R, Al-Saffar M, Barkovich AJ, Schwede M, Nagpal S, Rajab A, DeBerardinis RJ, Housman DE, Mochida GH, Morrow EM: Mutations in mitochondrial enzyme GPT2 cause metabolic dysfunction and neurological disease with developmental and progressive features. Proc Natl Acad Sci U S A. 2016 Sep 20;113(38):E5598-607. doi: 10.1073/pnas.1609221113. Epub 2016 Sep 6.@@McAllister CH, Good AG: Alanine aminotransferase variants conferring diverse NUE phenotypes in Arabidopsis thaliana. PLoS One. 2015 Apr 1;10(4):e0121830. doi: 10.1371/journal.pone.0121830. eCollection 2015.@@Mu X, Qi L, Qiao J, Zhang H, Ma H: Study on alanine aminotransferase kinetics by microchip electrophoresis. Anal Biochem. 2012 Feb 15;421(2):499-505. doi: 10.1016/j.ab.2011.11.037. Epub 2011 Dec 3."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000073	AASS	Q9UDR5	AASS_HUMAN		17139284; 17016423; 9249048; 12226216; 687635	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gaziola SA, Teixeira CM, Lugli J, Sodek L, Azevedo RA: The enzymology of lysine catabolism in rice seeds--isolation, characterization, and regulatory properties of a lysine 2-oxoglutarate reductase/saccharopine dehydrogenase bifunctional polypeptide. Eur J Biochem. 1997 Jul 1;247(1):364-71.@@Goncalves-Butruille M, Szajner P, Torigoi E, Leite A, Arruda P: Purification and Characterization of the Bifunctional Enzyme Lysine-Ketoglutarate Reductase-Saccharopine Dehydrogenase from Maize. Plant Physiol. 1996 Mar;110(3):765-771.@@Noda C, Ichihara A: Purification and properties of L-lysine-alpha-ketoglutarate reductase from rat liver mitochondria. Biochim Biophys Acta. 1978 Aug 7;525(2):307-13."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000003	GLS2	Q9UI32	GLSL_HUMAN		17373776; 17321558; 16793004	"Dossena L, Curti B, Vanoni MA: Activation and coupling of the glutaminase and synthase reaction of glutamate synthase is mediated by E1013 of the ferredoxin-dependent enzyme, belonging to loop 4 of the synthase domain. Biochemistry. 2007 Apr 17;46(15):4473-85. Epub 2007 Mar 21.@@Kita K, Suzuki T, Ochi T: Down-regulation of glutaminase C in human hepatocarcinoma cell by diphenylarsinic acid, a degradation product of chemical warfare agents. Toxicol Appl Pharmacol. 2007 May 1;220(3):262-70. Epub 2007 Jan 24.@@Yoshimune K, Shirakihara Y, Shiratori A, Wakayama M, Chantawannakul P, Moriguchi M: Crystal structure of a major fragment of the salt-tolerant glutaminase from Micrococcus luteus K-3. Biochem Biophys Res Commun. 2006 Aug 11;346(4):1118-24. Epub 2006 Jun 6."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN		16719820	"Natale NR, Magnusson KR, Nelson JK: Can selective ligands for glutamate binding proteins be rationally designed? Curr Top Med Chem. 2006;6(8):823-47."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0004640	CPQ	Q9Y646	CBPQ_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000180	GLUD1	P00367	DHE3_HUMAN		17139284; 17016423; 8288265	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Anagnou NP, Seuanez H, Modi W, O'Brien SJ, Papamatheakis J, Moschonas NK: Chromosomal mapping of two members of the human glutamate dehydrogenase (GLUD) gene family to chromosomes 10q22.3-q23 and Xq22-q23. Hum Hered. 1993 Nov-Dec;43(6):351-6."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000346	GRIK1	P39086	GRIK1_HUMAN		17139284; 17016423; 9254673; 13129570; 10513575	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sahara Y, Noro N, Iida Y, Soma K, Nakamura Y: Glutamate receptor subunits GluR5 and KA-2 are coexpressed in rat trigeminal ganglion neurons. J Neurosci. 1997 Sep 1;17(17):6611-20.@@Valgeirsson J, Christensen JK, Kristensen AS, Pickering DS, Nielsen B, Fischer CH, Brauner-Osborne H, Nielsen EO, Krogsgaard-Larsen P, Madsen U: Synthesis and in vitro pharmacology at AMPA and kainate preferring glutamate receptors of 4-heteroarylmethylidene glutamate analogues. Bioorg Med Chem. 2003 Oct 1;11(20):4341-9.@@Stensbol TB, Borre L, Johansen TN, Egebjerg J, Madsen U, Ebert B, Krogsgaard-Larsen P: Resolution, absolute stereochemistry and molecular pharmacology of the enantiomers of ATPA. Eur J Pharmacol. 1999 Sep 10;380(2-3):153-62."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000640	GRIA1	P42261	GRIA1_HUMAN		17139284; 17016423; 1279377; 7679210; 7838123	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stein E, Cox JA, Seeburg PH, Verdoorn TA: Complex pharmacological properties of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate receptor subtypes. Mol Pharmacol. 1992 Nov;42(5):864-71.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41.@@Li F, Owens N, Verdoorn TA: Functional effects of mutations in the putative agonist binding region of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors. Mol Pharmacol. 1995 Jan;47(1):148-54."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000606	GCLM	P48507	GSH0_HUMAN		17000861	"Giordano G, White CC, McConnachie LA, Fernandez C, Kavanagh TJ, Costa LG: Neurotoxicity of domoic Acid in cerebellar granule neurons in a genetic model of glutathione deficiency. Mol Pharmacol. 2006 Dec;70(6):2116-26. Epub 2006 Sep 25."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000568	FOLH1	Q04609	FOLH1_HUMAN		17139284; 17016423; 11916141; 15837926; 15336276	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rodriguez CE, Lu H, Martinez AR, Hu Y, Brunelle A, Berkman CE: Inhibition of glutamate carboxypeptidase II by phosphonamidothionate derivatives of glutamic acid. J Enzyme Inhib. 2001 Oct;16(4):359-65.@@Davis MI, Bennett MJ, Thomas LM, Bjorkman PJ: Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase. Proc Natl Acad Sci U S A. 2005 Apr 26;102(17):5981-6. Epub 2005 Apr 18.@@Maung J, Mallari JP, Girtsman TA, Wu LY, Rowley JA, Santiago NM, Brunelle AN, Berkman CE: Probing for a hydrophobic a binding register in prostate-specific membrane antigen with phenylalkylphosphonamidates. Bioorg Med Chem. 2004 Sep 15;12(18):4969-79."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 7679210; 1279377; 7838123	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41.@@Stein E, Cox JA, Seeburg PH, Verdoorn TA: Complex pharmacological properties of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionate receptor subtypes. Mol Pharmacol. 1992 Nov;42(5):864-71.@@Li F, Owens N, Verdoorn TA: Functional effects of mutations in the putative agonist binding region of recombinant alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid receptors. Mol Pharmacol. 1995 Jan;47(1):148-54."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000831	GRIA3	P42263	GRIA3_HUMAN		17139284; 17016423; 7679210	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000830	GRIA4	P48058	GRIA4_HUMAN		17139284; 17016423; 11406192; 7679210; 12008069	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Linden AM, Yu H, Zarrinmayeh H, Wheeler WJ, Skolnick P: Binding of an AMPA receptor potentiator ([3H]LY395153) to native and recombinant AMPA receptors. Neuropharmacology. 2001 Jun;40(8):1010-8.@@Henley JM, Jenkins R, Hunt SP: Localisation of glutamate receptor binding sites and mRNAs to the dorsal horn of the rat spinal cord. Neuropharmacology. 1993 Jan;32(1):37-41.@@Cristovao AJ, Oliveira CR, Carvalho CM: Expression of AMPA/kainate receptors during development of chick embryo retina cells: in vitro versus in vivo studies. Int J Dev Neurosci. 2002 Feb;20(1):1-9."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000823	ALDH18A1	P54886	P5CS_HUMAN		17139284; 17016423; 12513997; 114173; 9622938	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Morita Y, Nakamori S, Takagi H: L-proline accumulation and freeze tolerance of Saccharomyces cerevisiae are caused by a mutation in the PRO1 gene encoding gamma-glutamyl kinase. Appl Environ Microbiol. 2003 Jan;69(1):212-9.@@Krishna RV, Beilstein P, Leisinger T: Biosynthesis of proline in Pseudomonas aeruginosa. Properties of gamma-glutamyl phosphate reductase and 1-pyrroline-5-carboxylate reductase. Biochem J. 1979 Jul 1;181(1):223-30.@@Kamoun P, Aral B, Saudubray JM: [A new inherited metabolic disease: delta1-pyrroline 5-carboxylate synthetase deficiency]. Bull Acad Natl Med. 1998;182(1):131-7; discussion 138-9."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000826	GRIK2	Q13002	GRIK2_HUMAN		17581967	"Wong AY, MacLean DM, Bowie D: Na+/Cl- dipole couples agonist binding to kainate receptor activation. J Neurosci. 2007 Jun 20;27(25):6800-9."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00142	Glutamic acid	BE0000832	GRIK3	Q13003	GRIK3_HUMAN		17139284; 17016423; 1371217; 11058796; 8622118	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bettler B, Egebjerg J, Sharma G, Pecht G, Hermans-Borgmeyer I, Moll C, Stevens CF, Heinemann S: Cloning of a putative glutamate receptor: a low affinity kainate-binding subunit. Neuron. 1992 Feb;8(2):257-65.@@Takeda M, Haga M, Yamada H, Kinoshita M, Otsuka M, Tsuboi S, Moriyama Y: Ionotropic glutamate receptors expressed in human retinoblastoma Y79 cells. Neurosci Lett. 2000 Nov 17;294(2):97-100.@@Stuhmer T, Amar M, Harvey RJ, Bermudez I, van Minnen J, Darlison MG: Structure and pharmacological properties of a molluscan glutamate-gated cation channel and its likely role in feeding behavior. J Neurosci. 1996 May 1;16(9):2869-80."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00143	Glutathione	BE0000747	AKR1B1	P15121	ALDR_HUMAN		11306073	"Ramana KV, Dixit BL, Srivastava S, Bhatnagar A, Balendiran GK, Watowich SJ, Petrash JM, Srivastava SK: Characterization of the glutathione binding site of aldose reductase. Chem Biol Interact. 2001 Jan 30;130-132(1-3):537-48."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0009997	GPX5	Q8TED1	GPX8_HUMAN		18498225	"Toppo S, Vanin S, Bosello V, Tosatto SC: Evolutionary and structural insights into the multifaceted glutathione peroxidase (Gpx) superfamily. Antioxid Redox Signal. 2008 Sep;10(9):1501-14. doi: 10.1089/ars.2008.2057."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000648	GSR	P00390	GSHR_HUMAN		17303537; 17327255; 17338281; 17369902; 17512104	"Messarah M, Boulakoud MS, Boumendjel A, Abdennour C, El Feki A: The impact of thyroid activity variations on some oxidizing-stress parameters in rats. C R Biol. 2007 Feb;330(2):107-12. Epub 2006 Dec 12.@@Brocardo PS, Assini F, Franco JL, Pandolfo P, Muller YM, Takahashi RN, Dafre AL, Rodrigues AL: Zinc attenuates malathion-induced depressant-like behavior and confers neuroprotection in the rat brain. Toxicol Sci. 2007 May;97(1):140-8. Epub 2007 Feb 27.@@Guruvayoorappan C, Afira AH, Kuttan G: Antioxidant potential of Biophytum sensitivum extract in vitro and in vivo. J Basic Clin Physiol Pharmacol. 2006;17(4):255-67.@@Markaryan AA, Dubinskaya VA, Dargaeva TD: Peroxide-eliminating oxidoreductases as biosensors of antioxidant components of medicinal plants. Bull Exp Biol Med. 2006 Jul;142(1):55-6.@@Maity S, Roy S, Chaudhury S, Bhattacharya S: Antioxidant responses of the earthworm Lampito mauritii exposed to Pb and Zn contaminated soil. Environ Pollut. 2008 Jan;151(1):1-7. Epub 2007 May 23."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17311259; 17624589; 17381051; 17427177; 17372252	"Moore LE, Malats N, Rothman N, Real FX, Kogevinas M, Karami S, Garcia-Closas R, Silverman D, Chanock S, Welch R, Tardon A, Serra C, Carrato A, Dosemeci M, Garcia-Closas M: Polymorphisms in one-carbon metabolism and trans-sulfuration pathway genes and susceptibility to bladder cancer. Int J Cancer. 2007 Jun 1;120(11):2452-8.@@Sakoda LC, Blackston CR, Xue K, Doherty JA, Ray RM, Lin MG, Stalsberg H, Gao DL, Feng Z, Thomas DB, Chen C: Glutathione S-transferase M1 and P1 polymorphisms and risk of breast cancer and fibrocystic breast conditions in Chinese women. Breast Cancer Res Treat. 2008 May;109(1):143-55. Epub 2007 Jul 12.@@Ouerhani S, Tebourski F, Slama MR, Marrakchi R, Rabeh M, Hassine LB, Ayed M, Elgaaied AB: The role of glutathione transferases M1 and T1 in individual susceptibility to bladder cancer in a Tunisian population. Ann Hum Biol. 2006 Sep-Dec;33(5-6):529-35.@@Contreras-Vergara CA, Valenzuela-Soto E, Garcia-Orozco KD, Sotelo-Mundo RR, Yepiz-Plascencia G: A Mu-class glutathione S-transferase from gills of the marine shrimp Litopenaeus vannamei: purification and characterization. J Biochem Mol Toxicol. 2007;21(2):62-7.@@Schwartzbaum JA, Ahlbom A, Lonn S, Warholm M, Rannug A, Auvinen A, Christensen HC, Henriksson R, Johansen C, Lindholm C, Malmer B, Salminen T, Schoemaker MJ, Swerdlow AJ, Feychting M: An international case-control study of glutathione transferase and functionally related polymorphisms and risk of primary adult brain tumors. Cancer Epidemiol Biomarkers Prev. 2007 Mar;16(3):559-65."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000808	GSTK1	Q9Y2Q3	GSTK1_HUMAN		17139284; 17016423; 14709161; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Robinson A, Huttley GA, Booth HS, Board PG: Modelling and bioinformatics studies of the human Kappa-class glutathione transferase predict a novel third glutathione transferase family with similarity to prokaryotic 2-hydroxychromene-2-carboxylate isomerases. Biochem J. 2004 May 1;379(Pt 3):541-52.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000811	GSTA4	O15217	GSTA4_HUMAN		17553661	"Gallagher EP, Huisden CM, Gardner JL: Transfection of HepG2 cells with hGSTA4 provides protection against 4-hydroxynonenal-mediated oxidative injury. Toxicol In Vitro. 2007 Dec;21(8):1365-72. Epub 2007 Apr 27."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000813	GSTA5	Q7RTV2	GSTA5_HUMAN		17139284; 17016423; 10085232; 9331086; 12076520	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@McDonagh PD, Judah DJ, Hayes JD, Lian LY, Neal GE, Wolf CR, Roberts GC: Determinants of specificity for aflatoxin B1-8,9-epoxide in alpha-class glutathione S-transferases. Biochem J. 1999 Apr 1;339 ( Pt 1):95-101.@@McLeod R, Ellis EM, Arthur JR, Neal GE, Judah DJ, Manson MM, Hayes JD: Protection conferred by selenium deficiency against aflatoxin B1 in the rat is associated with the hepatic expression of an aldo-keto reductase and a glutathione S-transferase subunit that metabolize the mycotoxin. Cancer Res. 1997 Oct 1;57(19):4257-66.@@Kazi S, Ellis EM: Expression of rat liver glutathione-S-transferase GSTA5 in cell lines provides increased resistance to alkylating agents and toxic aldehydes. Chem Biol Interact. 2002 May 20;140(2):121-35."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000815	GSTO1	P78417	GSTO1_HUMAN		17537474; 17617905	"Tulayakul P, Dong KS, Li JY, Manabe N, Kumagai S: The effect of feeding piglets with the diet containing green tea extracts or coumarin on in vitro metabolism of aflatoxin B1 by their tissues. Toxicon. 2007 Sep 1;50(3):339-48. Epub 2007 Apr 22.@@Harju TH, Peltoniemi MJ, Rytila PH, Soini Y, Salmenkivi KM, Board PG, Ruddock LW, Kinnula VL: Glutathione S-transferase omega in the lung and sputum supernatants of COPD patients. Respir Res. 2007 Jul 6;8:48."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000821	GPX3	P22352	GPX3_HUMAN	cofactor	17558897; 17578749	"Jacobson GA, Yee KC, Ng CH: Elevated plasma glutathione peroxidase concentration in acute severe asthma: comparison with plasma glutathione peroxidase activity, selenium and malondialdehyde. Scand J Clin Lab Invest. 2007;67(4):423-30.@@Carmeli E, Bachar A, Barchad S: Biochemical assessments of total antioxidant status in active and nonactive female adults with intellectual disability. Res Sports Med. 2007 Apr-Jun;15(2):93-101."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002282	MGST1	P10620	MGST1_HUMAN		17306223; 17297922	"Siritantikorn A, Johansson K, Ahlen K, Rinaldi R, Suthiphongchai T, Wilairat P, Morgenstern R: Protection of cells from oxidative stress by microsomal glutathione transferase 1. Biochem Biophys Res Commun. 2007 Apr 6;355(2):592-6. Epub 2007 Feb 12.@@Busenlehner LS, Alander J, Jegerscohld C, Holm PJ, Bhakat P, Hebert H, Morgenstern R, Armstrong RN: Location of substrate binding sites within the integral membrane protein microsomal glutathione transferase-1. Biochemistry. 2007 Mar 13;46(10):2812-22. Epub 2007 Feb 13."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002283	ESD	P10768	ESTD_HUMAN		17139284; 17016423; 12904537; 7397203; 2554783	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yurimoto H, Lee B, Yano T, Sakai Y, Kato N: Physiological role of S-formylglutathione hydrolase in C(1) metabolism of the methylotrophic yeast Candida boidinii. Microbiology. 2003 Aug;149(Pt 8):1971-9.@@Neben I, Sahm H, Kula MR: Studies on an enzyme, S-formylglutathione hydrolase, of the dissimilatory pathway of methanol in Candida boidinii. Biochim Biophys Acta. 1980 Jul 10;614(1):81-91.@@Sabatier L, Hoffschir F, al Achkar WA, Turleau C, de Grouchy J, Dutrillaux B: The decrease of catalase or esterase D activity in patients with microdeletions of 11p or 13q does not increase their radiosensitivity. Ann Genet. 1989;32(3):144-8."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0000889	GGT1	P19440	GGT1_HUMAN		17316176; 17545509; 17569287; 17644279; 17291629	"Ohkama-Ohtsu N, Zhao P, Xiang C, Oliver DJ: Glutathione conjugates in the vacuole are degraded by gamma-glutamyl transpeptidase GGT3 in Arabidopsis. Plant J. 2007 Mar;49(5):878-88.@@Martin MN, Saladores PH, Lambert E, Hudson AO, Leustek T: Localization of members of the gamma-glutamyl transpeptidase family identifies sites of glutathione and glutathione S-conjugate hydrolysis. Plant Physiol. 2007 Aug;144(4):1715-32. Epub 2007 Jun 1.@@Anilakumar KR, Nagaraj NS, Santhanam K: Reduction of hexachlorocyclohexane-induced oxidative stress and cytotoxicity in rat liver by Emblica officinalis gaertn. Indian J Exp Biol. 2007 May;45(5):450-4.@@Adamis PD, Panek AD, Eleutherio EC: Vacuolar compartmentation of the cadmium-glutathione complex protects Saccharomyces cerevisiae from mutagenesis. Toxicol Lett. 2007 Aug 30;173(1):1-7. Epub 2007 Jun 14.@@Zhu Y, Carvey PM, Ling Z: Altered glutathione homeostasis in animals prenatally exposed to lipopolysaccharide. Neurochem Int. 2007 Mar;50(4):671-80. Epub 2007 Jan 13."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0001189	GSTM2	P28161	GSTM2_HUMAN		17490601; 17523921; 17553661; 17498936; 17604895	"Kurtovic S, Jansson R, Mannervik B: Colorimetric endpoint assay for enzyme-catalyzed iodide ion release for high-throughput screening in microtiter plates. Arch Biochem Biophys. 2007 Aug 15;464(2):284-7. Epub 2007 Apr 24.@@Vararattanavech A, Ketterman AJ: A functionally conserved basic residue in glutathione transferases interacts with the glycine moiety of glutathione and is pivotal for enzyme catalysis. Biochem J. 2007 Sep 1;406(2):247-56.@@Gallagher EP, Huisden CM, Gardner JL: Transfection of HepG2 cells with hGSTA4 provides protection against 4-hydroxynonenal-mediated oxidative injury. Toxicol In Vitro. 2007 Dec;21(8):1365-72. Epub 2007 Apr 27.@@Yalcinkaya S, Unlucerci Y, Uysal M: Methionine-supplemented diet augments hepatotoxicity and prooxidant status in chronically ethanol-treated rats. Exp Toxicol Pathol. 2007 Aug;58(6):455-9. Epub 2007 May 11.@@Roh JY, Jung IH, Lee JY, Choi J: Toxic effects of di(2-ethylhexyl)phthalate on mortality, growth, reproduction and stress-related gene expression in the soil nematode Caenorhabditis elegans. Toxicology. 2007 Jul 31;237(1-3):126-33. Epub 2007 May 18."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002284	GLRX	P35754	GLRX1_HUMAN		17512091; 17460036; 17327665; 17640917; 17431186	"Diwakar L, Kenchappa RS, Annepu J, Ravindranath V: Downregulation of glutaredoxin but not glutathione loss leads to mitochondrial dysfunction in female mice CNS: implications in excitotoxicity. Neurochem Int. 2007 Jul;51(1):37-46. Epub 2007 Apr 5.@@Rouhier N, Unno H, Bandyopadhyay S, Masip L, Kim SK, Hirasawa M, Gualberto JM, Lattard V, Kusunoki M, Knaff DB, Georgiou G, Hase T, Johnson MK, Jacquot JP: Functional, structural, and spectroscopic characterization of a glutathione-ligated [2Fe-2S] cluster in poplar glutaredoxin C1. Proc Natl Acad Sci U S A. 2007 May 1;104(18):7379-84. Epub 2007 Apr 25.@@Hakansson KO, Winther JR: Structure of glutaredoxin Grx1p C30S mutant from yeast. Acta Crystallogr D Biol Crystallogr. 2007 Mar;63(Pt 3):288-94. Epub 2007 Feb 21.@@Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18.@@Wang J, Pan S, Berk BC: Glutaredoxin mediates Akt and eNOS activation by flow in a glutathione reductase-dependent manner. Arterioscler Thromb Vasc Biol. 2007 Jun;27(6):1283-8. Epub 2007 Apr 12."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002285	GSTM5	P46439	GSTM5_HUMAN		17139284; 17016423; 11173863; 11684093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schnakenberg E, Breuer R, Werdin R, Dreikorn K, Schloot W: Susceptibility genes: GSTM1 and GSTM3 as genetic risk factors in bladder cancer. Cytogenet Cell Genet. 2000;91(1-4):234-8.@@Rao AV, Shaha C: Multiple glutathione S-transferase isoforms are present on male germ cell plasma membrane. FEBS Lett. 2001 Oct 26;507(2):174-80."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002290	MGST2	Q99735	MGST2_HUMAN		17632548	"Ago H, Kanaoka Y, Irikura D, Lam BK, Shimamura T, Austen KF, Miyano M: Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis. Nature. 2007 Aug 2;448(7153):609-12. Epub 2007 Jul 15."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00143	Glutathione	BE0002292	GLRX2	Q9NS18	GLRX2_HUMAN		17355958; 17546662; 17401194	"Hashemy SI, Johansson C, Berndt C, Lillig CH, Holmgren A: Oxidation and S-nitrosylation of cysteines in human cytosolic and mitochondrial glutaredoxins: effects on structure and activity. J Biol Chem. 2007 May 11;282(19):14428-36. Epub 2007 Mar 13.@@Sagemark J, Elgan TH, Burglin TR, Johansson C, Holmgren A, Berndt KD: Redox properties and evolution of human glutaredoxins. Proteins. 2007 Sep 1;68(4):879-92.@@Sheng J, Ye J, Rosen BP: Crystallization and preliminary X-ray crystallographic analysis of Escherichia coliglutaredoxin 2 in complex with glutathione and of a cysteine-less variant without glutathione. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Apr 1;63(Pt 4):280-2. Epub 2007 Mar 12."	Approved; Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Glutathione, antagonists & inhibitors; Antidotes; Oligopeptides; Peptides; Dietary Supplements; Amino Acids, Peptides, and Proteins"	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Pyruvate Kinase Deficiency; Acetaminophen Metabolism Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; 5-Oxoprolinuria; gamma-Glutamyltransferase Deficiency; Naproxen Action Pathway; Sulindac Action Pathway; Glutathione Synthetase Deficiency; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); Meloxicam Action Pathway; Cyclophosphamide Action Pathway; Succinic Semialdehyde Dehydrogenase Deficiency; Valdecoxib Action Pathway; Ketorolac Action Pathway; 5-Oxoprolinase Deficiency; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Glutathione Metabolism; Diclofenac Action Pathway; Homocarnosinosis; Cyclophosphamide Metabolism Pathway; Nepafenac Action Pathway	drug_metabolism; disease; metabolic; drug_action		1951	46504598	D00014	PA449780			Glutathione	CHEMBL1543	4890
DB00144	Phosphatidyl serine	BE0000673	PISD	Q9UG56	PISD_HUMAN		14660568; 15522831; 15522832; 15273086; 16246067	"Wu WI, Voelker DR: Reconstitution of phosphatidylserine transport from chemically defined donor membranes to phosphatidylserine decarboxylase 2 implicates specific lipid domains in the process. J Biol Chem. 2004 Feb 20;279(8):6635-42. Epub 2003 Dec 4.@@Burgermeister M, Birner-Grunberger R, Heyn M, Daum G: Contribution of different biosynthetic pathways to species selectivity of aminoglycerophospholipids assembled into mitochondrial membranes of the yeast Saccharomyces cerevisiae. Biochim Biophys Acta. 2004 Nov 8;1686(1-2):148-60.@@Burgermeister M, Birner-Grunberger R, Nebauer R, Daum G: Contribution of different pathways to the supply of phosphatidylethanolamine and phosphatidylcholine to mitochondrial membranes of the yeast Saccharomyces cerevisiae. Biochim Biophys Acta. 2004 Nov 8;1686(1-2):161-8.@@Roggero R, Zufferey R, Minca M, Richier E, Calas M, Vial H, Ben Mamoun C: Unraveling the mode of action of the antimalarial choline analog G25 in Plasmodium falciparum and Saccharomyces cerevisiae. Antimicrob Agents Chemother. 2004 Aug;48(8):2816-24.@@Voelker DR: Protein and lipid motifs regulate phosphatidylserine traffic in yeast. Biochem Soc Trans. 2005 Nov;33(Pt 5):1141-5."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0001132	PRKCA	P17252	KPCA_HUMAN		12269833; 14698304; 16114872; 17367165	"Yu D, Kazanietz MG, Harvey RG, Penning TM: Polycyclic aromatic hydrocarbon o-quinones inhibit the activity of the catalytic fragment of protein kinase C. Biochemistry. 2002 Oct 1;41(39):11888-94.@@Rodriguez-Alfaro JA, Gomez-Fernandez JC, Corbalan-Garcia S: Role of the lysine-rich cluster of the C2 domain in the phosphatidylserine-dependent activation of PKCalpha. J Mol Biol. 2004 Jan 23;335(4):1117-29.@@Lopez-Andreo MJ, Torrecillas A, Conesa-Zamora P, Corbalan-Garcia S, Gomez-Fernandez JC: Retinoic acid as a modulator of the activity of protein kinase Calpha. Biochemistry. 2005 Aug 30;44(34):11353-60.@@Corbin JA, Evans JH, Landgraf KE, Falke JJ: Mechanism of specific membrane targeting by C2 domains: localized pools of target lipids enhance Ca2+ affinity. Biochemistry. 2007 Apr 10;46(14):4322-36. Epub 2007 Mar 17."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0001099	PTDSS1	P48651	PTSS1_HUMAN		12761285; 12912985; 15130088; 16627002	"Kuge O, Nishijima M: Biosynthetic regulation and intracellular transport of phosphatidylserine in mammalian cells. J Biochem. 2003 Apr;133(4):397-403.@@Kuge O, Hasegawa K, Ohsawa T, Saito K, Nishijima M: Purification and characterization of Chinese hamster phosphatidylserine synthase 2. J Biol Chem. 2003 Oct 24;278(43):42692-8. Epub 2003 Aug 11.@@Ohsawa T, Nishijima M, Kuge O: Functional analysis of Chinese hamster phosphatidylserine synthase 1 through systematic alanine mutagenesis. Biochem J. 2004 Aug 1;381(Pt 3):853-9.@@Steenbergen R, Nanowski TS, Nelson R, Young SG, Vance JE: Phospholipid homeostasis in phosphatidylserine synthase-2-deficient mice. Biochim Biophys Acta. 2006 Mar;1761(3):313-23. Epub 2006 Mar 31."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0002296	DGKG	P49619	DGKG_HUMAN		16905533	"Yamaguchi Y, Shirai Y, Matsubara T, Sanse K, Kuriyama M, Oshiro N, Yoshino K, Yonezawa K, Ono Y, Saito N: Phosphorylation and up-regulation of diacylglycerol kinase gamma via its interaction with protein kinase C gamma. J Biol Chem. 2006 Oct 20;281(42):31627-37. Epub 2006 Aug 11."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0002297	DGKD	Q16760	DGKD_HUMAN		17139284; 17016423; 11309392; 8626538	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bregoli L, Baldassare JJ, Raben DM: Nuclear diacylglycerol kinase-theta is activated in response to alpha-thrombin. J Biol Chem. 2001 Jun 29;276(26):23288-95. Epub 2001 Apr 17.@@Sakane F, Imai S, Kai M, Wada I, Kanoh H: Molecular cloning of a novel diacylglycerol kinase isozyme with a pleckstrin homology domain and a C-terminal tail similar to those of the EPH family of protein-tyrosine kinases. J Biol Chem. 1996 Apr 5;271(14):8394-401."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0002300	SMPD4	Q9NXE4	NSMA3_HUMAN		16517606	"Krut O, Wiegmann K, Kashkar H, Yazdanpanah B, Kronke M: Novel tumor necrosis factor-responsive mammalian neutral sphingomyelinase-3 is a C-tail-anchored protein. J Biol Chem. 2006 May 12;281(19):13784-93. Epub 2006 Mar 3."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0002301	SMPD3	Q9NY59	NSMA2_HUMAN		16517606; 12566438	"Krut O, Wiegmann K, Kashkar H, Yazdanpanah B, Kronke M: Novel tumor necrosis factor-responsive mammalian neutral sphingomyelinase-3 is a C-tail-anchored protein. J Biol Chem. 2006 May 12;281(19):13784-93. Epub 2006 Mar 3.@@Marchesini N, Luberto C, Hannun YA: Biochemical properties of mammalian neutral sphingomyelinase 2 and its role in sphingolipid metabolism. J Biol Chem. 2003 Apr 18;278(16):13775-83. Epub 2003 Feb 3."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00144	Phosphatidyl serine	BE0001001	ATP8A1	Q9Y2Q0	AT8A1_HUMAN		12697835; 15971000; 16179347; 16618126	"Bettache N, Baisamy L, Baghdiguian S, Payrastre B, Mangeat P, Bienvenue A: Mechanical constraint imposed on plasma membrane through transverse phospholipid imbalance induces reversible actin polymerization via phosphoinositide 3-kinase activation. J Cell Sci. 2003 Jun 1;116(Pt 11):2277-84. Epub 2003 Apr 15.@@Wolfs JL, Comfurius P, Rasmussen JT, Keuren JF, Lindhout T, Zwaal RF, Bevers EM: Activated scramblase and inhibited aminophospholipid translocase cause phosphatidylserine exposure in a distinct platelet fraction. Cell Mol Life Sci. 2005 Jul;62(13):1514-25.@@Mandal D, Mazumder A, Das P, Kundu M, Basu J: Fas-, caspase 8-, and caspase 3-dependent signaling regulates the activity of the aminophospholipid translocase and phosphatidylserine externalization in human erythrocytes. J Biol Chem. 2005 Nov 25;280(47):39460-7. Epub 2005 Sep 22.@@Paterson JK, Renkema K, Burden L, Halleck MS, Schlegel RA, Williamson P, Daleke DL: Lipid specific activation of the murine P4-ATPase Atp8a1 (ATPase II). Biochemistry. 2006 Apr 25;45(16):5367-76."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00145	Glycine	BE0000518	GCAT	O75600	KBL_HUMAN	substrate	17146529	"Bashir Q, Rashid N, Akhtar M: Mechanism and substrate stereochemistry of 2-amino-3-oxobutyrate CoA ligase: implications for 5-aminolevulinate synthase and related enzymes. Chem Commun (Camb). 2006 Dec 28;(48):5065-7. Epub 2006 Oct 13."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000998	GARS	P41250	SYG_HUMAN	substrate	17150752; 17433503; 16982409; 17544401; 17035524	"Okamoto K, Kuno A, Hasegawa T: Recognition sites of glycine tRNA for glycyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2005;(49):299-300.@@Tsang SW, Vinters HV, Cummings JL, Wong PT, Chen CP, Lai MK: Alterations in NMDA receptor subunit densities and ligand binding to glycine recognition sites are associated with chronic anxiety in Alzheimer's disease. Neurobiol Aging. 2008 Oct;29(10):1524-32. Epub 2007 Apr 11.@@Scherer SS: Inherited neuropathies: new genes don't fit old models. Neuron. 2006 Sep 21;51(6):672-4.@@Cader MZ, Ren J, James PA, Bird LE, Talbot K, Stammers DK: Crystal structure of human wildtype and S581L-mutant glycyl-tRNA synthetase, an enzyme underlying distal spinal muscular atrophy. FEBS Lett. 2007 Jun 26;581(16):2959-64. Epub 2007 May 29.@@Antonellis A, Lee-Lin SQ, Wasterlain A, Leo P, Quezado M, Goldfarb LG, Myung K, Burgess S, Fischbeck KH, Green ED: Functional analyses of glycyl-tRNA synthetase mutations suggest a key role for tRNA-charging enzymes in peripheral axons. J Neurosci. 2006 Oct 11;26(41):10397-406."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	antagonist	17360906; 17403555; 17513636; 17646495; 17405869; 11752352	"Liu Y, Wong TP, Aarts M, Rooyakkers A, Liu L, Lai TW, Wu DC, Lu J, Tymianski M, Craig AM, Wang YT: NMDA receptor subunits have differential roles in mediating excitotoxic neuronal death both in vitro and in vivo. J Neurosci. 2007 Mar 14;27(11):2846-57.@@Domingues A, Almeida S, da Cruz e Silva EF, Oliveira CR, Rego AC: Toxicity of beta-amyloid in HEK293 cells expressing NR1/NR2A or NR1/NR2B N-methyl-D-aspartate receptor subunits. Neurochem Int. 2007 May;50(6):872-80. Epub 2007 Mar 7.@@Brosnan RJ, Yang L, Milutinovic PS, Zhao J, Laster MJ, Eger EI 2nd, Sonner JM: Ammonia has anesthetic properties. Anesth Analg. 2007 Jun;104(6):1430-3, table of contents.@@Milutinovic PS, Yang L, Cantor RS, Eger EI 2nd, Sonner JM: Anesthetic-like modulation of a gamma-aminobutyric acid type A, strychnine-sensitive glycine, and N-methyl-d-aspartate receptors by coreleased neurotransmitters. Anesth Analg. 2007 Aug;105(2):386-92.@@Gabra BH, Kessler FK, Ritter JK, Dewey WL, Smith FL: Decrease in N-methyl-D-aspartic acid receptor-NR2B subunit levels by intrathecal short-hairpin RNA blocks group I metabotropic glutamate receptor-mediated hyperalgesia. J Pharmacol Exp Ther. 2007 Jul;322(1):186-94. Epub 2007 Apr 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0002305	GLYAT	Q6IB77	GLYAT_HUMAN	substrate	17146584; 17143481	"Narasipura SD, Ren P, Dyavaiah M, Auger I, Chaturvedi V, Chaturvedi S: An efficient method for homologous gene reconstitution in Cryptococcus gattii using URA5 auxotrophic marker. Mycopathologia. 2006 Dec;162(6):401-9.@@Zhou CX, Gao Y: Frequent genetic alterations and reduced expression of the Axin1 gene in oral squamous cell carcinoma: involvement in tumor progression and metastasis. Oncol Rep. 2007 Jan;17(1):73-9."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000292	SHMT2	P34897	GLYM_HUMAN	product of	17142057; 17355947; 16876889; 16980404; 17664250	"Vatsyayan R, Roy U: Molecular cloning and biochemical characterization of Leishmania donovani serine hydroxymethyltransferase. Protein Expr Purif. 2007 Apr;52(2):433-40. Epub 2006 Oct 26.@@Rajinikanth M, Harding SA, Tsai CJ: The glycine decarboxylase complex multienzyme family in Populus. J Exp Bot. 2007;58(7):1761-70. Epub 2007 Mar 12.@@Gagnon D, Foucher A, Girard I, Ouellette M: Stage specific gene expression and cellular localization of two isoforms of the serine hydroxymethyltransferase in the protozoan parasite Leishmania. Mol Biochem Parasitol. 2006 Nov;150(1):63-71. Epub 2006 Jul 13.@@Mukherjee M, Sievers SA, Brown MT, Johnson PJ: Identification and biochemical characterization of serine hydroxymethyl transferase in the hydrogenosome of Trichomonas vaginalis. Eukaryot Cell. 2006 Dec;5(12):2072-8. Epub 2006 Sep 15.@@Chang WN, Tsai JN, Chen BH, Huang HS, Fu TF: Serine hydroxymethyltransferase isoforms are differentially inhibited by leucovorin: characterization and comparison of recombinant zebrafish serine hydroxymethyltransferases. Drug Metab Dispos. 2007 Nov;35(11):2127-37. doi: 10.1124/dmd.107.016840. Epub 2007 Jul 30."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0002306	GLYATL2	Q8WU03	GLYL2_HUMAN	substrate	20305126	"Waluk DP, Schultz N, Hunt MC: Identification of glycine N-acyltransferase-like 2 (GLYATL2) as a transferase that produces N-acyl glycines in humans. FASEB J. 2010 Aug;24(8):2795-803. doi: 10.1096/fj.09-148551. Epub 2010 Mar 19."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0002307	GLYATL1	Q969I3	GLYL1_HUMAN	substrate	22475485	"Matsuo M, Terai K, Kameda N, Matsumoto A, Kurokawa Y, Funase Y, Nishikawa K, Sugaya N, Hiruta N, Kishimoto T: Designation of enzyme activity of glycine-N-acyltransferase family genes and depression of glycine-N-acyltransferase in human hepatocellular carcinoma. Biochem Biophys Res Commun. 2012 Apr 20;420(4):901-6. doi: 10.1016/j.bbrc.2012.03.099. Epub 2012 Mar 27."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000102	AGXT2	Q9BYV1	AGT2_HUMAN	product of	15240345; 6703688; 16970975	"Baker PR, Cramer SD, Kennedy M, Assimos DG, Holmes RP: Glycolate and glyoxylate metabolism in HepG2 cells. Am J Physiol Cell Physiol. 2004 Nov;287(5):C1359-65. Epub 2004 Jul 7.@@Takada Y, Mori T, Noguchi T: The effect of vitamin B6 deficiency on alanine: glyoxylate aminotransferase isoenzymes in rat liver. Arch Biochem Biophys. 1984 Feb 15;229(1):1-6.@@Dutta U, Cohenford MA, Guha M, Dain JA: Non-enzymatic interactions of glyoxylate with lysine, arginine, and glucosamine: a study of advanced non-enzymatic glycation like compounds. Bioorg Chem. 2007 Feb;35(1):11-24. Epub 2006 Sep 12."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0002309	PIPOX	Q9P0Z9	SOX_HUMAN	product of	14766747	"Goyer A, Johnson TL, Olsen LJ, Collakova E, Shachar-Hill Y, Rhodes D, Hanson AD: Characterization and metabolic function of a peroxisomal sarcosine and pipecolate oxidase from Arabidopsis. J Biol Chem. 2004 Apr 23;279(17):16947-53. doi: 10.1074/jbc.M400071200. Epub 2004 Feb 6."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000433	GLRA1	P23415	GLRA1_HUMAN	ligand	17154252; 16884688	"Heinze L, Harvey RJ, Haverkamp S, Wassle H: Diversity of glycine receptors in the mouse retina: localization of the alpha4 subunit. J Comp Neurol. 2007 Feb 1;500(4):693-707.@@Eulenburg V, Becker K, Gomeza J, Schmitt B, Becker CM, Betz H: Mutations within the human GLYT2 (SLC6A5) gene associated with hyperekplexia. Biochem Biophys Res Commun. 2006 Sep 22;348(2):400-5. Epub 2006 Jul 26."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000316	AGXT	P21549	SPYA_HUMAN	substrate	16899523; 16990263; 17616291	"Ricoult C, Echeverria LO, Cliquet JB, Limami AM: Characterization of alanine aminotransferase (AlaAT) multigene family and hypoxic response in young seedlings of the model legume Medicago truncatula. J Exp Bot. 2006;57(12):3079-89. Epub 2006 Aug 9.@@Han Q, Robinson H, Gao YG, Vogelaar N, Wilson SR, Rizzi M, Li J: Crystal structures of Aedes aegypti alanine glyoxylate aminotransferase. J Biol Chem. 2006 Dec 1;281(48):37175-82. Epub 2006 Sep 21.@@Lu TC, Ko YZ, Huang HW, Hung YC, Lin YC, Peng WH: Analgesic and anti-inflammatory activities of aqueous extract from Glycine tomentella root in mice. J Ethnopharmacol. 2007 Aug 15;113(1):142-8. Epub 2007 May 31."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000055	GLRB	P48167	GLRB_HUMAN	ligand	16884688	"Eulenburg V, Becker K, Gomeza J, Schmitt B, Becker CM, Betz H: Mutations within the human GLYT2 (SLC6A5) gene associated with hyperekplexia. Biochem Biophys Res Commun. 2006 Sep 22;348(2):400-5. Epub 2006 Jul 26."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000331	SHMT1	P34896	GLYC_HUMAN	product of	17142057; 17355947; 17664250; 17150100; 16876889	"Vatsyayan R, Roy U: Molecular cloning and biochemical characterization of Leishmania donovani serine hydroxymethyltransferase. Protein Expr Purif. 2007 Apr;52(2):433-40. Epub 2006 Oct 26.@@Rajinikanth M, Harding SA, Tsai CJ: The glycine decarboxylase complex multienzyme family in Populus. J Exp Bot. 2007;58(7):1761-70. Epub 2007 Mar 12.@@Chang WN, Tsai JN, Chen BH, Huang HS, Fu TF: Serine hydroxymethyltransferase isoforms are differentially inhibited by leucovorin: characterization and comparison of recombinant zebrafish serine hydroxymethyltransferases. Drug Metab Dispos. 2007 Nov;35(11):2127-37. doi: 10.1124/dmd.107.016840. Epub 2007 Jul 30.@@Nijhout HF, Reed MC, Lam SL, Shane B, Gregory JF 3rd, Ulrich CM: In silico experimentation with a model of hepatic mitochondrial folate metabolism. Theor Biol Med Model. 2006 Dec 6;3:40.@@Gagnon D, Foucher A, Girard I, Ouellette M: Stage specific gene expression and cellular localization of two isoforms of the serine hydroxymethyltransferase in the protozoan parasite Leishmania. Mol Biochem Parasitol. 2006 Nov;150(1):63-71. Epub 2006 Jul 13."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000414	GLRA3	O75311	GLRA3_HUMAN	ligand	17154252; 17550639	"Heinze L, Harvey RJ, Haverkamp S, Wassle H: Diversity of glycine receptors in the mouse retina: localization of the alpha4 subunit. J Comp Neurol. 2007 Feb 1;500(4):693-707.@@Majumdar S, Heinze L, Haverkamp S, Ivanova E, Wassle H: Glycine receptors of A-type ganglion cells of the mouse retina. Vis Neurosci. 2007 Jul-Aug;24(4):471-87. Epub 2007 May 29."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000745	GLRA2	P23416	GLRA2_HUMAN	ligand	16847326; 17012403; 17550639	"Young-Pearse TL, Ivic L, Kriegstein AR, Cepko CL: Characterization of mice with targeted deletion of glycine receptor alpha 2. Mol Cell Biol. 2006 Aug;26(15):5728-34.@@Qi Z, Stephens NR, Spalding EP: Calcium entry mediated by GLR3.3, an Arabidopsis glutamate receptor with a broad agonist profile. Plant Physiol. 2006 Nov;142(3):963-71. Epub 2006 Sep 29.@@Majumdar S, Heinze L, Haverkamp S, Ivanova E, Wassle H: Glycine receptors of A-type ganglion cells of the mouse retina. Vis Neurosci. 2007 Jul-Aug;24(4):471-87. Epub 2007 May 29."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00145	Glycine	BE0000347	GATM	P50440	GATM_HUMAN	substrate	17486546	"Wang L, Zhang Y, Shao M, Zhang H: Spatiotemporal expression of the creatine metabolism related genes agat, gamt and ct1 during zebrafish embryogenesis. Int J Dev Biol. 2007;51(3):247-53."	Approved; Nutraceutical; Vet_approved	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Blood Substitutes and Perfusion Solutions; Amino Acids; Proteinogenic Amino Acids; Irrigating Solutions; Glycine Agents; Blood and Blood Forming Organs; Neurotransmitter Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins"	NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; Lesch-Nyhan Syndrome (LNS); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Molybdenum Cofactor Deficiency; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; gamma-Glutamyltransferase Deficiency; Hyperprolinemia Type II; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); L-Arginine:Glycine Amidinotransferase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; Congenital Bile Acid Synthesis Defect Type II; Porphyrin Metabolism; Prolidase Deficiency (PD); Glycine and Serine Metabolism; Carnitine Synthesis; Adenosine Deaminase Deficiency; Methionine Metabolism; Bile Acid Biosynthesis; Hyperprolinemia Type I; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; 27-Hydroxylase Deficiency; Sarcosine Oncometabolite Pathway; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Ammonia Recycling	disease; metabolic; drug_action		8865	46508219	D00011	PA449789		DAP000288	Glycine	CHEMBL773	4919
DB00146	Calcifediol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	15503649; 11752352	"Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Vitamins; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Anti-Parathyroid Agents; Diet, Food, and Nutrition; Vitamin D and Analogues; Lipids; Food; Calcium Homeostasis; Secosteroids; Micronutrients; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Membrane Lipids"	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C					22965	46505690		PA164745614		DAP000290	Calcifediol	CHEMBL1040	1855064
DB00147	Pyridoxal	BE0000042	PDXK	O00764	PDXK_HUMAN		15985434; 16494569; 16978644	"Tang L, Li MH, Cao P, Wang F, Chang WR, Bach S, Reinhardt J, Ferandin Y, Galons H, Wan Y, Gray N, Meijer L, Jiang T, Liang DC: Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J Biol Chem. 2005 Sep 2;280(35):31220-9. Epub 2005 Jun 28.@@Adams JB, George F, Audhya T: Abnormally high plasma levels of vitamin B6 in children with autism not taking supplements compared to controls not taking supplements. J Altern Complement Med. 2006 Jan-Feb;12(1):59-63.@@Newman JA, Das SK, Sedelnikova SE, Rice DW: The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parallel emergence of enzyme activity during evolution. J Mol Biol. 2006 Oct 20;363(2):520-30. Epub 2006 Aug 12."	Experimental; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Vitamins; Vitamin B Complex; Picolines; Dietary Supplements; Pyridines; Micronutrients	CC1=NC=C(CO)C(C=O)=C1O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Isovaleric Aciduria; Isobutyryl-CoA Dehydrogenase Deficiency; Propionic Acidemia; 3-Hydroxyisobutyric Aciduria; 3-Hydroxyisobutyric Acid Dehydrogenase Deficiency; Hypophosphatasia; Vitamin B6 Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Methylmalonate Semialdehyde Dehydrogenase Deficiency; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Isovaleric Acidemia"	disease; metabolic			46506282		PA164749166			Pyridoxal	CHEMBL102970	9002
DB00148	Creatine	BE0000410	CKMT2	P17540	KCRS_HUMAN	ligand	17139284; 17016423; 10567223; 8399219; 9642223; 1731757	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Koufen P, Ruck A, Brdiczka D, Wendt S, Wallimann T, Stark G: Free radical-induced inactivation of creatine kinase: influence on the octameric and dimeric states of the mitochondrial enzyme (Mib-CK). Biochem J. 1999 Dec 1;344 Pt 2:413-7.@@Wyss M, James P, Schlegel J, Wallimann T: Limited proteolysis of creatine kinase. Implications for three-dimensional structure and for conformational substrates. Biochemistry. 1993 Oct 12;32(40):10727-35.@@Stachowiak O, Dolder M, Wallimann T, Richter C: Mitochondrial creatine kinase is a prime target of peroxynitrite-induced modification and inactivation. J Biol Chem. 1998 Jul 3;273(27):16694-9.@@Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40."	Approved; Investigational; Nutraceutical	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amidines; Guanidines; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CN(CC(O)=O)C(N)=N		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperornithinemia with Gyrate Atrophy (HOGA); Hyperprolinemia Type II; 3-Phosphoglycerate Dehydrogenase Deficiency; Non-Ketotic Hyperglycinemia; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Dimethylglycine Dehydrogenase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Arginine and Proline Metabolism; Prolinemia Type II; Sarcosinemia"	disease; metabolic			46504868		PA164778930			Creatine	CHEMBL283800	2907
DB00149	Leucine	BE0000204	LARS2	Q15031	SYLM_HUMAN		17144674; 17095543; 17407263; 16774921; 17378584	"Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16.@@Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9.@@Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4.@@Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14.@@Lue SW, Kelley SO: A single residue in leucyl-tRNA synthetase affecting amino acid specificity and tRNA aminoacylation. Biochemistry. 2007 Apr 17;46(15):4466-72. Epub 2007 Mar 23."	Investigational; Nutraceutical	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		751	46507163	D00030	PA450197			Leucine	CHEMBL291962	6308
DB00149	Leucine	BE0000450	LCMT1	Q9UIC8	LCMT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		751	46507163	D00030	PA450197			Leucine	CHEMBL291962	6308
DB00149	Leucine	BE0000769	LARS	Q9P2J5	SYLC_HUMAN		17144674; 16956879; 17407263; 16774921; 16955236	"Ma JJ, Zhao MW, Wang ED: Split leucine-specific domain of leucyl-tRNA synthetase from the hyperthermophilic bacterium Aquifex aeolicus. Biochemistry. 2006 Dec 12;45(49):14809-16.@@Karkhanis VA, Boniecki MT, Poruri K, Martinis SA: A viable amino acid editing activity in the leucyl-tRNA synthetase CP1-splicing domain is not required in the yeast mitochondria. J Biol Chem. 2006 Nov 3;281(44):33217-25. Epub 2006 Sep 6.@@Vu MT, Martinis SA: A unique insert of leucyl-tRNA synthetase is required for aminoacylation and not amino acid editing. Biochemistry. 2007 May 1;46(17):5170-6. Epub 2007 Apr 4.@@Hsu JL, Rho SB, Vannella KM, Martinis SA: Functional divergence of a unique C-terminal domain of leucyl-tRNA synthetase to accommodate its splicing and aminoacylation roles. J Biol Chem. 2006 Aug 11;281(32):23075-82. Epub 2006 Jun 14.@@Dohm JC, Vingron M, Staub E: Horizontal gene transfer in aminoacyl-tRNA synthetases including leucine-specific subtypes. J Mol Evol. 2006 Oct;63(4):437-47. Epub 2006 Sep 4."	Investigational; Nutraceutical	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		751	46507163	D00030	PA450197			Leucine	CHEMBL291962	6308
DB00149	Leucine	BE0000517	BCAT1	P54687	BCAT1_HUMAN		17554170; 17077963	"Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Saito M, Nishimura K, Wakabayashi S, Kurihara T, Nagata Y: Purification of branched-chain amino acid aminotransferase from Helicobacter pylori NCTC 11637. Amino Acids. 2007 Sep;33(3):445-9. Epub 2006 Nov 2."	Investigational; Nutraceutical	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Paromomycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Glutaminolysis and Cancer; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		751	46507163	D00030	PA450197			Leucine	CHEMBL291962	6308
DB00150	Tryptophan	BE0000228	WARS	P23381	SYWC_HUMAN	inhibitor	17150540; 17428498; 17114500; 17661345; 16724112	"Tsuchiya W, Umehara T, Kuno A, Hasegawa T: Determination of tryptophan tRNA recognition sites for tryptophanyl-tRNA synthetase from hyperthermophilic archaeon, Aeropyrum pernix K1. Nucleic Acids Symp Ser (Oxf). 2004;(48):185-6.@@Retailleau P, Weinreb V, Hu M, Carter CW Jr: Crystal structure of tryptophanyl-tRNA synthetase complexed with adenosine-5' tetraphosphate: evidence for distributed use of catalytic binding energy in amino acid activation by class I aminoacyl-tRNA synthetases. J Mol Biol. 2007 May 25;369(1):108-28. Epub 2007 Mar 12.@@Zhu L, Ji F, Wang Y, Zhang Y, Liu Q, Zhang JZ, Matsushima K, Cao Q, Zhang Y: Synovial autoreactive T cells in rheumatoid arthritis resist IDO-mediated inhibition. J Immunol. 2006 Dec 1;177(11):8226-33.@@Yadav MC, Burudi EM, Alirezaei M, Flynn CC, Watry DD, Lanigan CM, Fox HS: IFN-gamma-induced IDO and WRS expression in microglia is differentially regulated by IL-4. Glia. 2007 Oct;55(13):1385-96.@@Yang XL, Otero FJ, Ewalt KL, Liu J, Swairjo MA, Kohrer C, RajBhandary UL, Skene RJ, McRee DE, Schimmel P: Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. EMBO J. 2006 Jun 21;25(12):2919-29. Epub 2006 May 25."	Approved; Nutraceutical; Withdrawn	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Miscellaneous Antidepressants; Supplements; Amino Acids; Proteinogenic Amino Acids; Psychotropic Drugs; Amino Acids, Cyclic; Central Nervous System Agents; Amino Acids, Essential; Central Nervous System Depressants; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents, Second-Generation; Dietary Supplements; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic"	N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O		Tryptophan Metabolism	metabolic		10238	46508329	D00020	PA10323		DAP001316	Tryptophan	CHEMBL54976	10898
DB00150	Tryptophan	BE0002311	WARS2	Q9UGM6	SYWM_HUMAN	inhibitor	17114825; 17428498; 16639024; 16724112; 16636268	"Paley EL, Denisova G, Sokolova O, Posternak N, Wang X, Brownell AL: Tryptamine induces tryptophanyl-tRNA synthetase-mediated neurodegeneration with neurofibrillary tangles in human cell and mouse models. Neuromolecular Med. 2007;9(1):55-82.@@Retailleau P, Weinreb V, Hu M, Carter CW Jr: Crystal structure of tryptophanyl-tRNA synthetase complexed with adenosine-5' tetraphosphate: evidence for distributed use of catalytic binding energy in amino acid activation by class I aminoacyl-tRNA synthetases. J Mol Biol. 2007 May 25;369(1):108-28. Epub 2007 Mar 12.@@Banin E, Dorrell MI, Aguilar E, Ritter MR, Aderman CM, Smith AC, Friedlander J, Friedlander M: T2-TrpRS inhibits preretinal neovascularization and enhances physiological vascular regrowth in OIR as assessed by a new method of quantification. Invest Ophthalmol Vis Sci. 2006 May;47(5):2125-34.@@Yang XL, Otero FJ, Ewalt KL, Liu J, Swairjo MA, Kohrer C, RajBhandary UL, Skene RJ, McRee DE, Schimmel P: Two conformations of a crystalline human tRNA synthetase-tRNA complex: implications for protein synthesis. EMBO J. 2006 Jun 21;25(12):2919-29. Epub 2006 May 25.@@Charriere F, Helgadottir S, Horn EK, Soll D, Schneider A: Dual targeting of a single tRNA(Trp) requires two different tryptophanyl-tRNA synthetases in Trypanosoma brucei. Proc Natl Acad Sci U S A. 2006 May 2;103(18):6847-52. Epub 2006 Apr 24."	Approved; Nutraceutical; Withdrawn	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Miscellaneous Antidepressants; Supplements; Amino Acids; Proteinogenic Amino Acids; Psychotropic Drugs; Amino Acids, Cyclic; Central Nervous System Agents; Amino Acids, Essential; Central Nervous System Depressants; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents, Second-Generation; Dietary Supplements; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic"	N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O		Tryptophan Metabolism	metabolic		10238	46508329	D00020	PA10323		DAP001316	Tryptophan	CHEMBL54976	10898
DB00151	Cysteine	BE0000606	GCLM	P48507	GSH0_HUMAN		15695431	"Ashida H, Sawa Y, Shibata H: Cloning, biochemical and phylogenetic characterizations of gamma-glutamylcysteine synthetase from Anabaena sp. PCC 7120. Plant Cell Physiol. 2005 Apr;46(4):557-62. Epub 2005 Feb 2."	Approved; Nutraceutical	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CS)C(O)=O		Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway	disease; metabolic; drug_action		5416	46506553	D00026	PA449173			Cysteine	CHEMBL863	3024
DB00151	Cysteine	BE0000166	GCLC	P48506	GSH1_HUMAN		15695431; 17615559	"Ashida H, Sawa Y, Shibata H: Cloning, biochemical and phylogenetic characterizations of gamma-glutamylcysteine synthetase from Anabaena sp. PCC 7120. Plant Cell Physiol. 2005 Apr;46(4):557-62. Epub 2005 Feb 2.@@Srivastava S, Chan C: Application of metabolic flux analysis to identify the mechanisms of free fatty acid toxicity to human hepatoma cell line. Biotechnol Bioeng. 2008 Feb 1;99(2):399-410."	Approved; Nutraceutical	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CS)C(O)=O		Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway	disease; metabolic; drug_action		5416	46506553	D00026	PA449173			Cysteine	CHEMBL863	3024
DB00151	Cysteine	BE0000701	CARS	P49589	SYCC_HUMAN	substrate	30824121; 11347887; 29079736	"Kuo ME, Theil AF, Kievit A, Malicdan MC, Introne WJ, Christian T, Verheijen FW, Smith DEC, Mendes MI, Hussaarts-Odijk L, van der Meijden E, van Slegtenhorst M, Wilke M, Vermeulen W, Raams A, Groden C, Shimada S, Meyer-Schuman R, Hou YM, Gahl WA, Antonellis A, Salomons GS, Mancini GMS: Cysteinyl-tRNA Synthetase Mutations Cause a Multi-System, Recessive Disease That Includes Microcephaly, Developmental Delay, and Brittle Hair and Nails. Am J Hum Genet. 2019 Mar 7;104(3):520-529. doi: 10.1016/j.ajhg.2019.01.006. Epub 2019 Feb 26.@@Davidson E, Caffarella J, Vitseva O, Hou YM, King MP: Isolation of two cDNAs encoding functional human cytoplasmic cysteinyl-tRNA synthetase. Biol Chem. 2001 Mar;382(3):399-406.@@Akaike T, Ida T, Wei FY, Nishida M, Kumagai Y, Alam MM, Ihara H, Sawa T, Matsunaga T, Kasamatsu S, Nishimura A, Morita M, Tomizawa K, Nishimura A, Watanabe S, Inaba K, Shima H, Tanuma N, Jung M, Fujii S, Watanabe Y, Ohmuraya M, Nagy P, Feelisch M, Fukuto JM, Motohashi H: Cysteinyl-tRNA synthetase governs cysteine polysulfidation and mitochondrial bioenergetics. Nat Commun. 2017 Oct 27;8(1):1177. doi: 10.1038/s41467-017-01311-y."	Approved; Nutraceutical	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CS)C(O)=O		Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway	disease; metabolic; drug_action		5416	46506553	D00026	PA449173			Cysteine	CHEMBL863	3024
DB00151	Cysteine	BE0002312	CARS2	Q9HA77	SYCM_HUMAN	substrate	29079736; 30824121	"Akaike T, Ida T, Wei FY, Nishida M, Kumagai Y, Alam MM, Ihara H, Sawa T, Matsunaga T, Kasamatsu S, Nishimura A, Morita M, Tomizawa K, Nishimura A, Watanabe S, Inaba K, Shima H, Tanuma N, Jung M, Fujii S, Watanabe Y, Ohmuraya M, Nagy P, Feelisch M, Fukuto JM, Motohashi H: Cysteinyl-tRNA synthetase governs cysteine polysulfidation and mitochondrial bioenergetics. Nat Commun. 2017 Oct 27;8(1):1177. doi: 10.1038/s41467-017-01311-y.@@Kuo ME, Theil AF, Kievit A, Malicdan MC, Introne WJ, Christian T, Verheijen FW, Smith DEC, Mendes MI, Hussaarts-Odijk L, van der Meijden E, van Slegtenhorst M, Wilke M, Vermeulen W, Raams A, Groden C, Shimada S, Meyer-Schuman R, Hou YM, Gahl WA, Antonellis A, Salomons GS, Mancini GMS: Cysteinyl-tRNA Synthetase Mutations Cause a Multi-System, Recessive Disease That Includes Microcephaly, Developmental Delay, and Brittle Hair and Nails. Am J Hum Genet. 2019 Mar 7;104(3):520-529. doi: 10.1016/j.ajhg.2019.01.006. Epub 2019 Feb 26."	Approved; Nutraceutical	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CS)C(O)=O		Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway	disease; metabolic; drug_action		5416	46506553	D00026	PA449173			Cysteine	CHEMBL863	3024
DB00151	Cysteine	BE0000151	NFS1	Q9Y697	NFS1_HUMAN		17469805; 15985427; 15828873; 16877383; 16603772	"You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Ding H, Harrison K, Lu J: Thioredoxin reductase system mediates iron binding in IscA and iron delivery for the iron-sulfur cluster assembly in IscU. J Biol Chem. 2005 Aug 26;280(34):30432-7. Epub 2005 Jun 28.@@Ding B, Smith ES, Ding H: Mobilization of the iron centre in IscA for the iron-sulphur cluster assembly in IscU. Biochem J. 2005 Aug 1;389(Pt 3):797-802.@@Yang J, Bitoun JP, Ding H: Interplay of IscA and IscU in biogenesis of iron-sulfur clusters. J Biol Chem. 2006 Sep 22;281(38):27956-63. Epub 2006 Jul 27.@@Layer G, Ollagnier-de Choudens S, Sanakis Y, Fontecave M: Iron-sulfur cluster biosynthesis: characterization of Escherichia coli CYaY as an iron donor for the assembly of [2Fe-2S] clusters in the scaffold IscU. J Biol Chem. 2006 Jun 16;281(24):16256-63. Epub 2006 Apr 9."	Approved; Nutraceutical	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Caloric Agents; Supplements; Amino Acids; Proteinogenic Amino Acids; Sulfhydryl Compounds; Nutritional Support; Amino Acids, Sulfur; Sulfur Compounds; Cysteine; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CS)C(O)=O		Amiloride Action Pathway; gamma-Glutamyltranspeptidase Deficiency; 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Hydroflumethiazide Action Pathway; Bumetanide Action Pathway; Polythiazide Action Pathway; Ethacrynic Acid Action Pathway; Cyclothiazide Action Pathway; Trichlormethiazide Action Pathway; gamma-Glutamyltransferase Deficiency; Methionine Adenosyltransferase Deficiency; Glutamate Metabolism; Chlorothiazide Action Pathway; Pantothenate and CoA Biosynthesis; Non-Ketotic Hyperglycinemia; 2-Hydroxyglutric Aciduria (D and L Form); Indapamide Action Pathway; Hyperinsulinism-Hyperammonemia Syndrome; Iminoglycinuria; Taurine and Hypotaurine Metabolism; Glycine and Serine Metabolism; Chlorthalidone Action Pathway; Bendroflumethiazide Action Pathway; Methionine Metabolism; Eplerenone Action Pathway; Cystathionine beta-Synthase Deficiency; Glucose Transporter Defect (SGLT2); Spironolactone Action Pathway; Sarcosinemia; Quinethazone Action Pathway	disease; metabolic; drug_action		5416	46506553	D00026	PA449173			Cysteine	CHEMBL863	3024
DB00152	Thiamine	BE0000157	TPK1	Q9H3S4	TPK1_HUMAN	substrate	11642045; 15150256; 15664409; 15514058	"Pylypchuk SIu, Parkhomenko IuM, Protasova ZS, Vovk AI, Donchenko HV: [Interaction of rat brain thiamine kinase with thiamine and its derivatives]. Ukr Biokhim Zh (1999). 2001 Mar-Apr;73(2):51-6.@@Melnick J, Lis E, Park JH, Kinsland C, Mori H, Baba T, Perkins J, Schyns G, Vassieva O, Osterman A, Begley TP: Identification of the two missing bacterial genes involved in thiamine salvage: thiamine pyrophosphokinase and thiamine kinase. J Bacteriol. 2004 Jun;186(11):3660-2.@@Bellyei S, Szigeti A, Boronkai A, Szabo Z, Bene J, Janaky T, Barna L, Sipos K, Minik O, Kravjak A, Ohmacht R, Melegh B, Zavodszky P, Than GN, Sumegi B, Bohn H, Than NG: Cloning, sequencing, structural and molecular biological characterization of placental protein 20 (PP20)/human thiamin pyrophosphokinase (hTPK). Placenta. 2005 Jan;26(1):34-46.@@de Jong L, Meng Y, Dent J, Hekimi S: Thiamine pyrophosphate biosynthesis and transport in the nematode Caenorhabditis elegans. Genetics. 2004 Oct;168(2):845-54."	Approved; Investigational; Nutraceutical; Vet_approved	Thiamines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"OCT1 substrates; Physiological Phenomena; Vitamins; Thiazoles; OCT2 Inhibitors; Vitamin B Complex; Diet, Food, and Nutrition; Growth Substances; Pyrimidines; Food; Sulfur Compounds; Alimentary Tract and Metabolism; Micronutrients"	CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N		Thiamine Metabolism	metabolic		5038	46507321	D08580	PA451652		DAP000870	Thiamine	CHEMBL1547	10454
DB00153	Ergocalciferol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	17218095; 16949927; 17519354; 20525913; 20091647; 18290715; 17440943; 17207992; 11752352	"Carvallo L, Henriquez B, Olate J, van Wijnen AJ, Lian JB, Stein GS, Onate S, Stein JL, Montecino M: The 1alpha,25-dihydroxy Vitamin D3 receptor preferentially recruits the coactivator SRC-1 during up-regulation of the osteocalcin gene. J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):420-4. Epub 2007 Jan 10.@@Liu W, Tretiakova M, Kong J, Turkyilmaz M, Li YC, Krausz T: Expression of vitamin D3 receptor in kidney tumors. Hum Pathol. 2006 Oct;37(10):1268-78. Epub 2006 Jul 27.@@Ewing AK, Attner M, Chakravarti D: Novel regulatory role for human Acf1 in transcriptional repression of vitamin D3 receptor-regulated genes. Mol Endocrinol. 2007 Aug;21(8):1791-806. Epub 2007 May 22.@@Gallagher JC, Sai AJ: Vitamin D insufficiency, deficiency, and bone health. J Clin Endocrinol Metab. 2010 Jun;95(6):2630-3. doi: 10.1210/jc.2010-0918.@@Straube S, Derry S, Moore RA, McQuay HJ: Vitamin D for the treatment of chronic painful conditions in adults. Cochrane Database Syst Rev. 2010 Jan 20;(1):CD007771. doi: 10.1002/14651858.CD007771.pub2.@@Jurutka PW, Bartik L, Whitfield GK, Mathern DR, Barthel TK, Gurevich M, Hsieh JC, Kaczmarska M, Haussler CA, Haussler MR: Vitamin D receptor: key roles in bone mineral pathophysiology, molecular mechanism of action, and novel nutritional ligands. J Bone Miner Res. 2007 Dec;22 Suppl 2:V2-10. doi: 10.1359/jbmr.07s216.@@Mikhak B, Hunter DJ, Spiegelman D, Platz EA, Hollis BW, Giovannucci E: Vitamin D receptor (VDR) gene polymorphisms and haplotypes, interactions with plasma 25-hydroxyvitamin D and 1,25-dihydroxyvitamin D, and prostate cancer risk. Prostate. 2007 Jun 15;67(9):911-23.@@Marks HD, Fleet JC, Peleg S: Transgenic expression of the human Vitamin D receptor (hVDR) in the duodenum of VDR-null mice attenuates the age-dependent decline in calcium absorption. J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):513-6. Epub 2007 Jan 5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Growth Substances; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Bone Density Conservation Agents; Food; Lipids; Alimentary Tract and Metabolism; Micronutrients"	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C					703	46505053	D00187	PA449484		DAP000291	Ergocalciferol	CHEMBL1536	4018
DB00153	Ergocalciferol	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inducer			Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Growth Substances; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Bone Density Conservation Agents; Food; Lipids; Alimentary Tract and Metabolism; Micronutrients"	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C					703	46505053	D00187	PA449484		DAP000291	Ergocalciferol	CHEMBL1536	4018
DB00155	Citrulline	BE0000263	NOS3	P29474	NOS3_HUMAN		10403604; 10440125; 10460702; 10690351; 10749853	"Hayakawa H, Raij L: Relationship between hypercholesterolaemia, endothelial dysfunction and hypertension. J Hypertens. 1999 May;17(5):611-9.@@Trovati M, Massucco P, Mattiello L, Costamagna C, Aldieri E, Cavalot F, Anfossi G, Bosia A, Ghigo D: Human vascular smooth muscle cells express a constitutive nitric oxide synthase that insulin rapidly activates, thus increasing guanosine 3':5'-cyclic monophosphate and adenosine 3':5'-cyclic monophosphate concentrations. Diabetologia. 1999 Jul;42(7):831-9.@@McDuffie JE, Coaxum SD, Maleque MA: 5-hydroxytryptamine evokes endothelial nitric oxide synthase activation in bovine aortic endothelial cell cultures. Proc Soc Exp Biol Med. 1999 Sep;221(4):386-90.@@Tan E, Gurjar MV, Sharma RV, Bhalla RC: Estrogen receptor-alpha gene transfer into bovine aortic endothelial cells induces eNOS gene expression and inhibits cell migration. Cardiovasc Res. 1999 Aug 15;43(3):788-97.@@Abu-Soud HM, Ichimori K, Presta A, Stuehr DJ: Electron transfer, oxygen binding, and nitric oxide feedback inhibition in endothelial nitric-oxide synthase. J Biol Chem. 2000 Jun 9;275(23):17349-57."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0000671	ASS1	P00966	ASSY_HUMAN		10353334; 10407171; 10944418; 11067741; 11072090	"Braissant O, Honegger P, Loup M, Iwase K, Takiguchi M, Bachmann C: Hyperammonemia: regulation of argininosuccinate synthetase and argininosuccinate lyase genes in aggregating cell cultures of fetal rat brain. Neurosci Lett. 1999 May 7;266(2):89-92.@@Braissant O, Gotoh T, Loup M, Mori M, Bachmann C: L-arginine uptake, the citrulline-NO cycle and arginase II in the rat brain: an in situ hybridization study. Brain Res Mol Brain Res. 1999 Jul 5;70(2):231-41.@@Keilhoff G, Reiser M, Stanarius A, Aoki E, Wolf G: Citrulline immunohistochemistry for demonstration of NOS activity in vivo and in vitro. Nitric Oxide. 2000 Aug;4(4):343-53.@@Zhang B, Cao GL, Domachowske J, Jackson MJ, Porasuphatana S, Rosen GM: Stable expression of varied levels of inducible nitric oxide synthase in primary cultures of endothelial cells. Anal Biochem. 2000 Nov 15;286(2):198-205.@@Zhang WY, Gotoh T, Oyadomari S, Mori M: Coinduction of inducible nitric oxide synthase and arginine recycling enzymes in cytokine-stimulated PC12 cells and high output production of nitric oxide. Brain Res Mol Brain Res. 2000 Nov 10;83(1-2):1-8."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0000766	DDAH1	O94760	DDAH1_HUMAN		14766200; 10950934; 12615801	"Mishima T, Hamada T, Ui-Tei K, Takahashi F, Miyata Y, Imaki J, Suzuki H, Yamashita K: Expression of DDAH1 in chick and rat embryos. Brain Res Dev Brain Res. 2004 Feb 20;148(2):223-32.@@Tran CT, Fox MF, Vallance P, Leiper JM: Chromosomal localization, gene structure, and expression pattern of DDAH1: comparison with DDAH2 and implications for evolutionary origins. Genomics. 2000 Aug 15;68(1):101-5.@@Arrigoni FI, Vallance P, Haworth SG, Leiper JM: Metabolism of asymmetric dimethylarginines is regulated in the lung developmentally and with pulmonary hypertension induced by hypobaric hypoxia. Circulation. 2003 Mar 4;107(8):1195-201."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0000067	NOS1	P29475	NOS1_HUMAN		10502685; 10681601; 10799481; 10945985; 10962148	"Kominami S, Yamazaki T, Koga T, Hori H: EPR studies on the photo-induced intermediates of ferric NO complexes of rat neuronal nitric oxide synthase trapped at low temperature. J Biochem. 1999 Oct;126(4):756-61.@@Giraldi-Guimaraes A, Tenorio F, Bruning G, Mayer B, Mendez-Otero R, Cavalcante LA: Nitric oxide synthase expression in the opossum superior colliculus: a histochemical, immunohistochemical and biochemical study. Brain Behav Evol. 1999 Dec;54(6):303-13.@@Perry JM, Zhao Y, Marletta MA: Cu2+ and Zn2+ inhibit nitric-oxide synthase through an interaction with the reductase domain. J Biol Chem. 2000 May 12;275(19):14070-6.@@Adak S, Wang Q, Stuehr DJ: Arginine conversion to nitroxide by tetrahydrobiopterin-free neuronal nitric-oxide synthase. Implications for mechanism. J Biol Chem. 2000 Oct 27;275(43):33554-61.@@Yu W, Juang S, Lee J, Liu T, Cheng J: Decrease of neuronal nitric oxide synthase in the cerebellum of aged rats. Neurosci Lett. 2000 Sep 8;291(1):37-40."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0001092	PADI4	Q9UM07	PADI4_HUMAN		15345777; 16146736; 16271291; 16355400; 16412378	"Wang Y, Wysocka J, Sayegh J, Lee YH, Perlin JR, Leonelli L, Sonbuchner LS, McDonald CH, Cook RG, Dou Y, Roeder RG, Clarke S, Stallcup MR, Allis CD, Coonrod SA: Human PAD4 regulates histone arginine methylation levels via demethylimination. Science. 2004 Oct 8;306(5694):279-83. Epub 2004 Sep 2.@@Wysocka J, Allis CD, Coonrod S: Histone arginine methylation and its dynamic regulation. Front Biosci. 2006 Jan 1;11:344-55.@@Yamamoto K, Yamada R: Genome-wide single nucleotide polymorphism analyses of rheumatoid arthritis. J Autoimmun. 2005;25 Suppl:12-5. Epub 2005 Nov 2.@@Chang X, Han J: Expression of peptidylarginine deiminase type 4 (PAD4) in various tumors. Mol Carcinog. 2006 Mar;45(3):183-96.@@Okazaki Y, Suzuki A, Sawada T, Ohtake-Yamanaka M, Inoue T, Hasebe T, Yamada R, Yamamoto K: Identification of citrullinated eukaryotic translation initiation factor 4G1 as novel autoantigen in rheumatoid arthritis. Biochem Biophys Res Commun. 2006 Mar 3;341(1):94-100. Epub 2006 Jan 6."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0002313	PADI6	Q6TGC4	PADI6_HUMAN	product of	18463355; 17587491	"Snow AJ, Puri P, Acker-Palmer A, Bouwmeester T, Vijayaraghavan S, Kline D: Phosphorylation-dependent interaction of tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein (YWHA) with PADI6 following oocyte maturation in mice. Biol Reprod. 2008 Aug;79(2):337-47. doi: 10.1095/biolreprod.108.069328. Epub 2008 May 7.@@Esposito G, Vitale AM, Leijten FP, Strik AM, Koonen-Reemst AM, Yurttas P, Robben TJ, Coonrod S, Gossen JA: Peptidylarginine deiminase (PAD) 6 is essential for oocyte cytoskeletal sheet formation and female fertility. Mol Cell Endocrinol. 2007 Jul 15;273(1-2):25-31. doi: 10.1016/j.mce.2007.05.005. Epub 2007 May 17."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0002314	PADI1	Q9ULC6	PADI1_HUMAN		15150696	"Iida A, Nakamura Y: Identification of 45 novel SNPs in the 83-kb region containing peptidylarginine deiminase types 1 and 3 loci on chromosomal band 1p36.13. J Hum Genet. 2004;49(7):387-90. Epub 2004 May 19."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00155	Citrulline	BE0002315	PADI3	Q9ULW8	PADI3_HUMAN		16671893; 15150696; 11069618	"Dong S, Kanno T, Yamaki A, Kojima T, Shiraiwa M, Kawada A, Mechin MC, Chavanas S, Serre G, Simon M, Takahara H: NF-Y and Sp1/Sp3 are involved in the transcriptional regulation of the peptidylarginine deiminase type III gene (PADI3) in human keratinocytes. Biochem J. 2006 Aug 1;397(3):449-59.@@Iida A, Nakamura Y: Identification of 45 novel SNPs in the 83-kb region containing peptidylarginine deiminase types 1 and 3 loci on chromosomal band 1p36.13. J Hum Genet. 2004;49(7):387-90. Epub 2004 May 19.@@Kanno T, Kawada A, Yamanouchi J, Yosida-Noro C, Yoshiki A, Shiraiwa M, Kusakabe M, Manabe M, Tezuka T, Takahara H: Human peptidylarginine deiminase type III: molecular cloning and nucleotide sequence of the cDNA, properties of the recombinant enzyme, and immunohistochemical localization in human skin. J Invest Dermatol. 2000 Nov;115(5):813-23."	Investigational; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Dicarboxylic Acids; OAT3/SLC22A8 Substrates; Hydroxy Acids; Amino Acids, Peptides, and Proteins; OAT1/SLC22A6 Substrates; Acids, Acyclic; Proteins; Dietary Supplements; Amino Acids, Diamino"	N[C@@H](CCCNC(N)=O)C(O)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Argininemia; Hyperornithinemia with Gyrate Atrophy (HOGA); Canavan Disease; Hypoacetylaspartia; Hyperprolinemia Type II; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Aspartate Metabolism; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Ornithine Transcarbamylase Deficiency (OTC Deficiency); Prolinemia Type II; Urea Cycle"	disease; metabolic; signaling			46506583	D07706	PA164747225			Citrulline	CHEMBL444814	2567
DB00156	Threonine	BE0002317	TARS2	Q9BW92	SYTM_HUMAN		17644600	"Caillet J, Graffe M, Eyermann F, Romby P, Springer M: Mutations in residues involved in zinc binding in the catalytic site of Escherichia coli threonyl-tRNA synthetase confer a dominant lethal phenotype. J Bacteriol. 2007 Oct;189(19):6839-48. Epub 2007 Jul 20."	Approved; Nutraceutical	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Threonine, antagonists & inhibitors; Amino Acids, Essential; Dietary Supplements; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	C[C@@H](O)[C@H](N)C(O)=O		Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Threonine and 2-Oxobutanoate Degradation; Lincomycin Action Pathway; Tobramycin Action Pathway; Azithromycin Action Pathway; Clindamycin Action Pathway; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	metabolic; drug_action		10243	46506798	D00041	PA451673			Threonine	CHEMBL291747	10524
DB00157	NADH	BE0000227	ADH1A	P07327	ADH1A_HUMAN		16760478; 16897483	"Bieganowski P, Seidle HF, Wojcik M, Brenner C: Synthetic lethal and biochemical analyses of NAD and NADH kinases in Saccharomyces cerevisiae establish separation of cellular functions. J Biol Chem. 2006 Aug 11;281(32):22439-45. Epub 2006 Jun 7.@@Manriquez D, El-Sharkawy I, Flores FB, El-Yahyaoui F, Regad F, Bouzayen M, Latche A, Pech JC: Two highly divergent alcohol dehydrogenases of melon exhibit fruit ripening-specific expression and distinct biochemical characteristics. Plant Mol Biol. 2006 Jul;61(4-5):675-85."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000299	SORD	Q00796	DHSO_HUMAN		17508915; 17343568	"Ido Y: Pyridine nucleotide redox abnormalities in diabetes. Antioxid Redox Signal. 2007 Jul;9(7):931-42.@@Klimacek M, Hellmer H, Nidetzky B: Catalytic mechanism of Zn2+-dependent polyol dehydrogenases: kinetic comparison of sheep liver sorbitol dehydrogenase with wild-type and Glu154-->Cys forms of yeast xylitol dehydrogenase. Biochem J. 2007 Jun 15;404(3):421-9."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 12604203	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Plapp BV, Berst KB: Specificity of human alcohol dehydrogenase 1C*2 (gamma2gamma2) for steroids and simulation of the uncompetitive inhibition of ethanol metabolism. Chem Biol Interact. 2003 Feb 1;143-144:183-93."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000297	LDHAL6A	Q6ZMR3	LDH6A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17508915; 17222174	"Ido Y: Pyridine nucleotide redox abnormalities in diabetes. Antioxid Redox Signal. 2007 Jul;9(7):931-42.@@Linster CL, Van Schaftingen E: Vitamin C. Biosynthesis, recycling and degradation in mammals. FEBS J. 2007 Jan;274(1):1-22."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000317	HSD17B10	Q99714	HCD2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000780	MDH2	P40926	MDHM_HUMAN		17619232; 17203264; 16898590; 17487443; 17603759	"Baumchen C, Roth AH, Biedendieck R, Malten M, Follmann M, Sahm H, Bringer-Meyer S, Jahn D: D-mannitol production by resting state whole cell biotrans-formation of D-fructose by heterologous mannitol and formate dehydrogenase gene expression in Bacillus megaterium. Biotechnol J. 2007 Nov;2(11):1408-16.@@Gallarta F, Sainz FJ, Saenz C: Fluorescent sensing layer for the determination of L-malic acid in wine. Anal Bioanal Chem. 2007 Mar;387(6):2297-305. Epub 2007 Jan 4.@@Markova EV, Zotova NV, Savchenko AA, Titova NM, Slepov EV, Cherdantsev DV, Konovalenko AN: [Lymphocyte metabolism in patients with acute pancreatitis with different genotypes of GSTM1 and GSTT1 genes]. Biomed Khim. 2006 May-Jun;52(3):317-26.@@Yennaco LJ, Hu Y, Holden JF: Characterization of malate dehydrogenase from the hyperthermophilic archaeon Pyrobaculum islandicum. Extremophiles. 2007 Sep;11(5):741-6. Epub 2007 May 9.@@Rzem R, Vincent MF, Van Schaftingen E, Veiga-da-Cunha M: L-2-hydroxyglutaric aciduria, a defect of metabolite repair. J Inherit Metab Dis. 2007 Oct;30(5):681-9. Epub 2007 Jun 21."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000148	ME2	P23368	MAOM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000408	HSD17B4	P51659	DHB4_HUMAN		17139284; 17016423; 12517343	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Haapalainen AM, Koski MK, Qin YM, Hiltunen JK, Glumoff T: Binary structure of the two-domain (3R)-hydroxyacyl-CoA dehydrogenase from rat peroxisomal multifunctional enzyme type 2 at 2.38 A resolution. Structure. 2003 Jan;11(1):87-97."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000068	LDHB	P07195	LDHB_HUMAN		17139284; 17016423; 12054772; 16198644; 4303363	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Razeto A, Kochhar S, Hottinger H, Dauter M, Wilson KS, Lamzin VS: Domain closure, substrate specificity and catalysis of D-lactate dehydrogenase from Lactobacillus bulgaricus. J Mol Biol. 2002 Apr 19;318(1):109-19.@@Mdluli K, Booth MP, Brady RL, Rumsby G: A preliminary account of the properties of recombinant human Glyoxylate reductase (GRHPR), LDHA and LDHB with glyoxylate, and their potential roles in its metabolism. Biochim Biophys Acta. 2005 Dec 1;1753(2):209-16. Epub 2005 Aug 22.@@Clausen J: Lactate dehydrogenase isoenzymes of sperm cells and tests. Biochem J. 1969 Jan;111(2):207-18."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000586	EHHADH	Q08426	ECHP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000377	HADH	Q16836	HCDH_HUMAN		17202348	"Norman JP, Perry SW, Kasischke KA, Volsky DJ, Gelbard HA: HIV-1 trans activator of transcription protein elicits mitochondrial hyperpolarization and respiratory deficit, with dysregulation of complex IV and nicotinamide adenine dinucleotide homeostasis in cortical neurons. J Immunol. 2007 Jan 15;178(2):869-76."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000328	ME3	Q16798	MAON_HUMAN		16740313; 17080607; 17603759	"Luo C, Wang X, Long J, Liu J: An NADH-tetrazolium-coupled sensitive assay for malate dehydrogenase in mitochondria and crude tissue homogenates. J Biochem Biophys Methods. 2006 Aug 31;68(2):101-11. Epub 2006 Apr 26.@@Wei H, Dhanaraj AL, Arora R, Rowland LJ, Fu Y, Sun L: Identification of cold acclimation-responsive Rhododendron genes for lipid metabolism, membrane transport and lignin biosynthesis: importance of moderately abundant ESTs in genomic studies. Plant Cell Environ. 2006 Apr;29(4):558-70.@@Rzem R, Vincent MF, Van Schaftingen E, Veiga-da-Cunha M: L-2-hydroxyglutaric aciduria, a defect of metabolite repair. J Inherit Metab Dis. 2007 Oct;30(5):681-9. Epub 2007 Jun 21."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000175	BDH1	Q02338	BDH_HUMAN		17139284; 17016423; 8533882; 2550053; 38961	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tabata M, Totani M: A chemiluminescence-flow injection analysis of serum 3-hydroxybutyrate using a bioreactor consisting of 3-hydroxybutyrate dehydrogenase and NADH oxidase. Anal Biochem. 1995 Jul 20;229(1):133-8.@@Rudy B, Dubois H, Mink R, Trommer WE, McIntyre JO, Fleischer S: Coenzyme binding by 3-hydroxybutyrate dehydrogenase, a lipid-requiring enzyme: lecithin acts as an allosteric modulator to enhance the affinity for coenzyme. Biochemistry. 1989 Jun 27;28(13):5354-66.@@Smith CM, Plaut GW: Activities of NAD-specific and NADP-specific isocitrate dehydrogenases in rat-liver mitochondria. Studies with D-threo-alpha-methylisocitrate. Eur J Biochem. 1979 Jun;97(1):283-95."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000589	MDH1	P40925	MDHC_HUMAN		16983536	"Drew DP, Lunde C, Lahnstein J, Fincher GB: Heterologous expression of cDNAs encoding monodehydroascorbate reductases from the moss, Physcomitrella patens and characterization of the expressed enzymes. Planta. 2007 Mar;225(4):945-54."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000128	HIBADH	P31937	3HIDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000336	HSD17B3	P37058	DHB3_HUMAN		17139284; 17016423; 237755	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Inano H, Tamaoki B: Relationship between steroids and pyridine nucleotides in the oxido-reduction catalyzed by the 17 beta-hydroxysteroid dehydrogenase purified from the porcine testicular microsomal fraction. Eur J Biochem. 1975 May 6;53(2):319-26."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423; 15755483; 15152097; 14511985	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Huber R, Riepe MW: Improved posthypoxic recovery in vitro on treatment with drugs used for secondary stroke prevention. Neuropharmacology. 2005 Mar;48(4):558-65.@@Hedl M, Rodwell VW: Inhibition of the class II HMG-CoA reductase of Pseudomonas mevalonii. Protein Sci. 2004 Jun;13(6):1693-7.@@Li S, Wagner CA, Friesen JA, Borst DW: 3-hydroxy-3-methylglutaryl-coenzyme A reductase in the lobster mandibular organ: regulation by the eyestalk. Gen Comp Endocrinol. 2003 Nov;134(2):147-55."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000604	ME1	P48163	MAOX_HUMAN		17197218	"McKinlay JB, Shachar-Hill Y, Zeikus JG, Vieille C: Determining Actinobacillus succinogenes metabolic pathways and fluxes by NMR and GC-MS analyses of 13C-labeled metabolic product isotopomers. Metab Eng. 2007 Mar;9(2):177-92. Epub 2006 Nov 17."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000161	PHGDH	O43175	SERA_HUMAN		17139284; 17016423; 2692566; 945314; 12183470	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grant GA: A new family of 2-hydroxyacid dehydrogenases. Biochem Biophys Res Commun. 1989 Dec 29;165(3):1371-4.@@Goldsmith LA, O'Barr T: Serine biosynthesis in human hair follicles by the phosphorylated pathway: follicular 3-phosphoglycerate dehydrogenase. J Invest Dermatol. 1976 Jun;66(6):360-6.@@Grant GA, Hu Z, Xu XL: Cofactor binding to Escherichia coli D-3-phosphoglycerate dehydrogenase induces multiple conformations which alter effector binding. J Biol Chem. 2002 Oct 18;277(42):39548-53. Epub 2002 Aug 14."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000771	IDH3G	P51553	IDH3G_HUMAN		17139284; 17016423; 4292141; 14189899; 4380379	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stein AM, Stein JH, Kirkman SK: Diphosphopyridine nucleotide specific isocitric dehydrogenase of mammalian mitochondria. I. On the roles of pyridine nucleotide transhydrogenase and the isocitric dehydrogenases in the respiration of mitochondria of normal and neoplastic tissues. Biochemistry. 1967 May;6(5):1370-9.@@SANWAL BD, ZINK MW, STACHOW CS: NICOTINAMIDE ADENINE DINUCLEOTIDE-SPECIFIC ISOCITRIC DEHYDROGENASE. A POSSIBLE REGULATORY PROTEIN. J Biol Chem. 1964 May;239:1597-603.@@Rose ZB: The stereochemistry of the nicotinamide adenine dinucleotide-specific isocitric dehydrogenase reaction. J Biol Chem. 1966 May 25;241(10):2311-3."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000006	HSD17B2	P37059	DHB2_HUMAN		17139284; 17016423; 3463506; 2615366; 8529651	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fukuda T, Hirato K, Yanaihara T, Nakayama T: Microsomal 20 alpha-hydroxysteroid dehydrogenase activity for progesterone in human placenta. Endocrinol Jpn. 1986 Jun;33(3):361-8.@@Pineda JA, Murdock GL, Watson RJ, Warren JC: Stereospecificity of hydrogen transfer by bovine testicular 20 alpha-hydroxysteroid dehydrogenase. J Steroid Biochem. 1989 Dec;33(6):1223-8.@@Wintergalen N, Thole HH, Galla HJ, Schlegel W: Prostaglandin-E2 9-reductase from corpus luteum of pseudopregnant rabbit is a member of the aldo-keto reductase superfamily featuring 20 alpha-hydroxysteroid dehydrogenase activity. Eur J Biochem. 1995 Nov 15;234(1):264-70."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000357	H6PD	O95479	G6PE_HUMAN		17269701; 17171348; 17531229; 16898590; 17298031	"Siu E, Won K, Park CB: Electrochemical regeneration of NADH using conductive vanadia-silica xerogels. Biotechnol Prog. 2007 Jan-Feb;23(1):293-6.@@Lu Y, Mei L: Co-expression of P450 BM3 and glucose dehydrogenase by recombinant Escherichia coli and its application in an NADPH-dependent indigo production system. J Ind Microbiol Biotechnol. 2007 Mar;34(3):247-53. Epub 2006 Dec 14.@@Takenaka M, Verbitskiy D, van der Merwe JA, Zehrmann A, Plessmann U, Urlaub H, Brennicke A: In vitro RNA editing in plant mitochondria does not require added energy. FEBS Lett. 2007 Jun 12;581(14):2743-7. Epub 2007 May 21.@@Markova EV, Zotova NV, Savchenko AA, Titova NM, Slepov EV, Cherdantsev DV, Konovalenko AN: [Lymphocyte metabolism in patients with acute pancreatitis with different genotypes of GSTM1 and GSTT1 genes]. Biomed Khim. 2006 May-Jun;52(3):317-26.@@Zhang M, Mullens C, Gorski W: Coimmobilization of dehydrogenases and their cofactors in electrochemical biosensors. Anal Chem. 2007 Mar 15;79(6):2446-50. Epub 2007 Feb 14."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		17139284; 17016423; 2615366; 2146972; 6584048	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pineda JA, Murdock GL, Watson RJ, Warren JC: Stereospecificity of hydrogen transfer by bovine testicular 20 alpha-hydroxysteroid dehydrogenase. J Steroid Biochem. 1989 Dec;33(6):1223-8.@@Pineda JA, Murdock GL, Watson RJ, Warren JC: Stereospecificity of hydrogen transfer between progesterone and cofactor by human placental estradiol-17 beta dehydrogenase. J Steroid Biochem Mol Biol. 1990 Sep;37(1):65-70.@@Nicolas JC, Boussioux AM, Boularan AM, Descomps B, Crastes de Paulet A: Bioluminescent assay of femtomole levels of estrone and estradiol. Anal Biochem. 1983 Nov;135(1):141-5."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000329	HSD11B1	P28845	DHI1_HUMAN		17139284; 17016423; 9141556; 8585102	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Diederich S, Hanke B, Oelkers W, Bahr V: Metabolism of dexamethasone in the human kidney: nicotinamide adenine dinucleotide-dependent 11beta-reduction. J Clin Endocrinol Metab. 1997 May;82(5):1598-602.@@Hermans JJ, Steckel B, Thijssen HH, Janssen BJ, Netter KJ, Maser E: Comparison of 11 beta-hydroxysteroid dehydrogenase in spontaneously hypertensive and Wistar-Kyoto rats. Steroids. 1995 Nov;60(11):773-9."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000260	HADHA	P40939	ECHA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000133	ALDH2	P05091	ALDH2_HUMAN		17488809; 16961761	"Quintanilla ME, Tampier L, Sapag A, Gerdtzen Z, Israel Y: Sex differences, alcohol dehydrogenase, acetaldehyde burst, and aversion to ethanol in the rat: a systems perspective. Am J Physiol Endocrinol Metab. 2007 Aug;293(2):E531-7. Epub 2007 May 8.@@Quintanilla ME, Israel Y, Sapag A, Tampier L: The UChA and UChB rat lines: metabolic and genetic differences influencing ethanol intake. Addict Biol. 2006 Sep;11(3-4):310-23."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000044	NSDHL	Q15738	NSDHL_HUMAN		17139284; 17016423; 15805545	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cunningham D, Swartzlander D, Liyanarachchi S, Davuluri RV, Herman GE: Changes in gene expression associated with loss of function of the NSDHL sterol dehydrogenase in mouse embryonic fibroblasts. J Lipid Res. 2005 Jun;46(6):1150-62. Epub 2005 Apr 1."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000554	ALDH1A1	P00352	AL1A1_HUMAN		17139284; 17016423; 16583981; 11872149	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wroczynski P, Nowak M, Wierzchowski J, Szubert A, Polanski J: Activities of cytosolic aldehyde dehydrogenase isozymes in colon cancer: determination using selective, fluorimetric assays. Acta Pol Pharm. 2005 Nov-Dec;62(6):427-33.@@Russo J, Barnes A, Berger K, Desgrosellier J, Henderson J, Kanters A, Merkov L: 4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal. BMC Pharmacol. 2002;2:4. Epub 2002 Feb 12."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000720	GAPDHS	O14556	G3PT_HUMAN		17139284; 17016423; 15488735; 12492483; 16239728	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maeda K, Nagata H, Nonaka A, Kataoka K, Tanaka M, Shizukuishi S: Oral streptococcal glyceraldehyde-3-phosphate dehydrogenase mediates interaction with Porphyromonas gingivalis fimbriae. Microbes Infect. 2004 Nov;6(13):1163-70.@@Graciet E, Lebreton S, Camadro JM, Gontero B: Characterization of native and recombinant A4 glyceraldehyde 3-phosphate dehydrogenase. Kinetic evidence for confromation changes upon association with the small protein CP12. Eur J Biochem. 2003 Jan;270(1):129-36.@@Ismail SA, Park HW: Structural analysis of human liver glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr D Biol Crystallogr. 2005 Nov;61(Pt 11):1508-13. Epub 2005 Oct 19."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000287	ALDH9A1	P49189	AL9A1_HUMAN		17139284; 17016423; 3129020; 7584606	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Prieto MI, Martin J, Balana-Fouce R, Garrido-Pertierra A: Properties of gamma-aminobutyraldehyde dehydrogenase from Escherichia coli. Biochimie. 1987 Nov-Dec;69(11-12):1161-8.@@Testore G, Colombatto S, Silvagno F, Bedino S: Purification and kinetic characterization of gamma-aminobutyraldehyde dehydrogenase from rat liver. Int J Biochem Cell Biol. 1995 Nov;27(11):1201-10."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000513	ALDH1A2	O94788	AL1A2_HUMAN		17139284; 17016423; 10320326; 11872149	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lamb AL, Newcomer ME: The structure of retinal dehydrogenase type II at 2.7 A resolution: implications for retinal specificity. Biochemistry. 1999 May 11;38(19):6003-11.@@Russo J, Barnes A, Berger K, Desgrosellier J, Henderson J, Kanters A, Merkov L: 4-(N,N-dipropylamino)benzaldehyde inhibits the oxidation of all-trans retinal to all-trans retinoic acid by ALDH1A1, but not the differentiation of HL-60 promyelocytic leukemia cells exposed to all-trans retinal. BMC Pharmacol. 2002;2:4. Epub 2002 Feb 12."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000135	ALDH7A1	P49419	AL7A1_HUMAN		17139284; 17016423; 9355735	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@de La Fuente JL, Rumbero A, Martin JF, Liras P: Delta-1-piperideine-6-carboxylate dehydrogenase, a new enzyme that forms alpha-aminoadipate in Streptomyces clavuligerus and other cephamycin C-producing actinomycetes. Biochem J. 1997 Oct 1;327 ( Pt 1):59-64."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000180	GLUD1	P00367	DHE3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000571	PDHA1	P08559	ODPA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000741	BLVRA	P53004	BIEA_HUMAN		17402939	"Franklin E, Browne S, Hayes J, Boland C, Dunne A, Elliot G, Mantle TJ: Activation of biliverdin-IXalpha reductase by inorganic phosphate and related anions. Biochem J. 2007 Jul 1;405(1):61-7."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000330	DHFR	P00374	DYR_HUMAN		17115689; 17032644	"Argyrou A, Jin L, Siconilfi-Baez L, Angeletti RH, Blanchard JS: Proteome-wide profiling of isoniazid targets in Mycobacterium tuberculosis. Biochemistry. 2006 Nov 28;45(47):13947-53.@@Vickers TJ, Orsomando G, de la Garza RD, Scott DA, Kang SO, Hanson AD, Beverley SM: Biochemical and genetic analysis of methylenetetrahydrofolate reductase in Leishmania metabolism and virulence. J Biol Chem. 2006 Dec 15;281(50):38150-8. Epub 2006 Oct 10."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000162	OGDH	Q02218	ODO1_HUMAN		17668068	"Mailloux RJ, Beriault R, Lemire J, Singh R, Chenier DR, Hamel RD, Appanna VD: The tricarboxylic acid cycle, an ancient metabolic network with a novel twist. PLoS One. 2007 Aug 1;2(8):e690."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000031	DHCR7	Q9UBM7	DHCR7_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000073	AASS	Q9UDR5	AASS_HUMAN		17542618; 17002315; 17223709	"Xu H, West AH, Cook PF: Determinants of substrate specificity for saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2007 Jun 26;46(25):7625-36. Epub 2007 Jun 2.@@Xu H, West AH, Cook PF: Overall kinetic mechanism of saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2006 Oct 3;45(39):12156-66.@@Xu H, Alguindigue SS, West AH, Cook PF: A proposed proton shuttle mechanism for saccharopine dehydrogenase from Saccharomyces cerevisiae. Biochemistry. 2007 Jan 23;46(3):871-82."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000617	MTHFD1	P11586	C1TC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000244	ALDH4A1	P30038	AL4A1_HUMAN		16934832	"Inagaki E, Ohshima N, Takahashi H, Kuroishi C, Yokoyama S, Tahirov TH: Crystal structure of Thermus thermophilus Delta1-pyrroline-5-carboxylate dehydrogenase. J Mol Biol. 2006 Sep 22;362(3):490-501. Epub 2006 Jul 29."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000008	NNT	Q13423	NNTM_HUMAN		17216441	"Kabus A, Georgi T, Wendisch VF, Bott M: Expression of the Escherichia coli pntAB genes encoding a membrane-bound transhydrogenase in Corynebacterium glutamicum improves L-lysine formation. Appl Microbiol Biotechnol. 2007 May;75(1):47-53. Epub 2007 Jan 11."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000081	NDUFA10	O95299	NDUAA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000684	NDUFA3	O95167	NDUA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000173	NDUFC2	O95298	NDUC2_HUMAN		17015645; 16898010; 17496098; 17614984; 17513495	"Gyan S, Shiohira Y, Sato I, Takeuchi M, Sato T: Regulatory loop between redox sensing of the NADH/NAD(+) ratio by Rex (YdiH) and oxidation of NADH by NADH dehydrogenase Ndh in Bacillus subtilis. J Bacteriol. 2006 Oct;188(20):7062-71.@@Quiles MJ: Stimulation of chlororespiration by heat and high light intensity in oat plants. Plant Cell Environ. 2006 Aug;29(8):1463-70.@@Brooijmans RJ, Poolman B, Schuurman-Wolters GK, de Vos WM, Hugenholtz J: Generation of a membrane potential by Lactococcus lactis through aerobic electron transport. J Bacteriol. 2007 Jul;189(14):5203-9. Epub 2007 May 11.@@Bao HG, Zhao CJ, Li JY, Wu Ch: Association of MT-ND5 gene variation with mitochondrial respiratory control ratio and NADH dehydrogenase activity in Tibet chicken embryos. Anim Genet. 2007 Oct;38(5):514-6. Epub 2007 Jul 5.@@Zhu X, Liu B, Zhou S, Chen YR, Deng Y, Zweier JL, He G: Ischemic preconditioning prevents in vivo hyperoxygenation in postischemic myocardium with preservation of mitochondrial oxygen consumption. Am J Physiol Heart Circ Physiol. 2007 Sep;293(3):H1442-50. Epub 2007 May 18."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000493	NDUFS1	P28331	NDUS1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000284	NDUFB3	O43676	NDUB3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000596	NDUFB9	Q9Y6M9	NDUB9_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000243	NDUFB5	O43674	NDUB5_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000737	DLD	P09622	DLDH_HUMAN		17315258; 17017892; 17314104	"Yan LJ, Yang SH, Shu H, Prokai L, Forster MJ: Histochemical staining and quantification of dihydrolipoamide dehydrogenase diaphorase activity using blue native PAGE. Electrophoresis. 2007 Apr;28(7):1036-45.@@Gutierrez-Correa J: Trypanosoma cruzi dihydrolipoamide dehydrogenase as target for phenothiazine cationic radicals. Effect of antioxidants. Curr Drug Targets. 2006 Sep;7(9):1155-79.@@Islam MM, Wallin R, Wynn RM, Conway M, Fujii H, Mobley JA, Chuang DT, Hutson SM: A novel branched-chain amino acid metabolon. Protein-protein interactions in a supramolecular complex. J Biol Chem. 2007 Apr 20;282(16):11893-903. Epub 2007 Feb 21."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000648	GSR	P00390	GSHR_HUMAN		17502280; 17540766; 17053903; 17550271; 17565998	"Knapp KG, Swartz JR: Evidence for an additional disulfide reduction pathway in Escherichia coli. J Biosci Bioeng. 2007 Apr;103(4):373-6.@@Aon MA, Cortassa S, Maack C, O'Rourke B: Sequential opening of mitochondrial ion channels as a function of glutathione redox thiol status. J Biol Chem. 2007 Jul 27;282(30):21889-900. Epub 2007 May 31.@@Wan C, Li S, Wen L, Kong J, Wang K, Zhu Y: Damage of oxidative stress on mitochondria during microspores development in Honglian CMS line of rice. Plant Cell Rep. 2007 Mar;26(3):373-82. Epub 2006 Oct 12.@@Cheng Z, Arscott LD, Ballou DP, Williams CH Jr: The relationship of the redox potentials of thioredoxin and thioredoxin reductase from Drosophila melanogaster to the enzymatic mechanism: reduced thioredoxin is the reductant of glutathione in Drosophila. Biochemistry. 2007 Jul 3;46(26):7875-85. Epub 2007 Jun 6.@@Gazaryan IG, Krasinskaya IP, Kristal BS, Brown AM: Zinc irreversibly damages major enzymes of energy production and antioxidant defense prior to mitochondrial permeability transition. J Biol Chem. 2007 Aug 17;282(33):24373-80. Epub 2007 Jun 12."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000754	NDUFA12	Q9UI09	NDUAC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000500	NDUFS4	O43181	NDUS4_HUMAN		17139284; 17016423; 11860175; 11181577; 11864782	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Papa S, Sardanelli AM, Scacco S, Petruzzella V, Technikova-Dobrova Z, Vergari R, Signorile A: The NADH: ubiquinone oxidoreductase (complex I) of the mammalian respiratory chain and the cAMP cascade. J Bioenerg Biomembr. 2002 Feb;34(1):1-10.@@Petruzzella V, Vergari R, Puzziferri I, Boffoli D, Lamantea E, Zeviani M, Papa S: A nonsense mutation in the NDUFS4 gene encoding the 18 kDa (AQDQ) subunit of complex I abolishes assembly and activity of the complex in a patient with Leigh-like syndrome. Hum Mol Genet. 2001 Mar 1;10(5):529-35.@@Raha S, Myint AT, Johnstone L, Robinson BH: Control of oxygen free radical formation from mitochondrial complex I: roles for protein kinase A and pyruvate dehydrogenase kinase. Free Radic Biol Med. 2002 Mar 1;32(5):421-30."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000485	NDUFV1	P49821	NDUV1_HUMAN		17139284; 17016423; 9571201; 8288251; 14662656	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schuelke M, Loeffen J, Mariman E, Smeitink J, van den Heuvel L: Cloning of the human mitochondrial 51 kDa subunit (NDUFV1) reveals a 100% antisense homology of its 3'UTR with the 5'UTR of the gamma-interferon inducible protein (IP-30) precursor: is this a link between mitochondrial myopathy and inflammation? Biochem Biophys Res Commun. 1998 Apr 17;245(2):599-606.@@Ali ST, Duncan AM, Schappert K, Heng HH, Tsui LC, Chow W, Robinson BH: Chromosomal localization of the human gene encoding the 51-kDa subunit of mitochondrial complex I (NDUFV1) to 11q13. Genomics. 1993 Nov;18(2):435-9.@@Grad LI, Lemire BD: Mitochondrial complex I mutations in Caenorhabditis elegans produce cytochrome c oxidase deficiency, oxidative stress and vitamin-responsive lactic acidosis. Hum Mol Genet. 2004 Feb 1;13(3):303-14. Epub 2003 Dec 8."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000137	NDUFV2	P19404	NDUV2_HUMAN		17139284; 17016423; 10716640	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Paunesku T, Chang-Liu CM, Shearin-Jones P, Watson C, Milton J, Oryhon J, Salbego D, Milosavljevic A, Woloschak GE: Identification of genes regulated by UV/salicylic acid. Int J Radiat Biol. 2000 Feb;76(2):189-98."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000735	HMOX1	P09601	HMOX1_HUMAN		17139284; 17016423; 12897089; 12699699	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Calo LA, Pagnin E, Davis PA, Sartori M, Semplicini A: Oxidative stress-related factors in Bartter's and Gitelman's syndromes: relevance for angiotensin II signalling. Nephrol Dial Transplant. 2003 Aug;18(8):1518-25.@@Auclair K, Huang HW, Moenne-Loccoz P, Ortiz de Montellano PR: Cloning and expression of a heme binding protein from the genome of Saccharomyces cerevisiae. Protein Expr Purif. 2003 Apr;28(2):340-9."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000587	HMOX2	P30519	HMOX2_HUMAN		16986858; 17157188	"Tanaka M, Ohkubo K, Fukuzumi S: DNA cleavage by UVA irradiation of NADH with dioxygen via radical chain processes. J Phys Chem A. 2006 Sep 28;110(38):11214-8.@@Goldstone AB, Liochev SI, Fridovich I: Inactivation of copper, zinc superoxide dismutase by H2O2 : mechanism of protection. Free Radic Biol Med. 2006 Dec 15;41(12):1860-3. Epub 2006 Sep 19."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000252	TYR	P14679	TYRO_HUMAN		17292452; 16790533	"Jadhav JP, Parshetti GK, Kalme SD, Govindwar SP: Decolourization of azo dye methyl red by Saccharomyces cerevisiae MTCC 463. Chemosphere. 2007 Jun;68(2):394-400. Epub 2007 Feb 9.@@Zafar KS, Siegel D, Ross D: A potential role for cyclized quinones derived from dopamine, DOPA, and 3,4-dihydroxyphenylacetic acid in proteasomal inhibition. Mol Pharmacol. 2006 Sep;70(3):1079-86. Epub 2006 Jun 21."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00158	Folic acid	BE0000652	FOLR3	P41439	FOLR3_HUMAN	binder	17139284; 17016423; 8110752; 7727426; 8061055; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shen F, Ross JF, Wang X, Ratnam M: Identification of a novel folate receptor, a truncated receptor, and receptor type beta in hematopoietic cells: cDNA cloning, expression, immunoreactivity, and tissue specificity. Biochemistry. 1994 Feb 8;33(5):1209-15.@@Shen F, Wu M, Ross JF, Miller D, Ratnam M: Folate receptor type gamma is primarily a secretory protein due to lack of an efficient signal for glycosylphosphatidylinositol modification: protein characterization and cell type specificity. Biochemistry. 1995 Apr 25;34(16):5660-5.@@Prasad PD, Ramamoorthy S, Moe AJ, Smith CH, Leibach FH, Ganapathy V: Selective expression of the high-affinity isoform of the folate receptor (FR-alpha) in the human placental syncytiotrophoblast and choriocarcinoma cells. Biochim Biophys Acta. 1994 Aug 11;1223(1):71-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Nutraceutical; Vet_approved	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Vitamins; Growth Substances; OAT1/SLC22A6 inhibitors; Dietary Supplements; Vitamin B Complex; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Pterins; BCRP/ABCG2 Substrates; Folic Acid and Derivatives; Biological Factors; Diagnostic Agents; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Hematinics; Food; Micronutrients; Pteridines; Antianemic Preparations; Autacoids; Hematologic Agents"	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1		"Methotrexate Action Pathway; Folate Metabolism; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Folate Malabsorption, Hereditary"	disease; metabolic; drug_action		4991	46508092	D00070	PA449692		DAP001309	Folate	CHEMBL1622	4511
DB00159	Icosapent	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	12055328; 16702329; 11552681; 17052999; 17610002; 15698426	"Chambrier C, Bastard JP, Rieusset J, Chevillotte E, Bonnefont-Rousselot D, Therond P, Hainque B, Riou JP, Laville M, Vidal H: Eicosapentaenoic acid induces mRNA expression of peroxisome proliferator-activated receptor gamma. Obes Res. 2002 Jun;10(6):518-25.@@Selvaraj RK, Klasing KC: Lutein and eicosapentaenoic acid interact to modify iNOS mRNA levels through the PPARgamma/RXR pathway in chickens and HD11 cell lines. J Nutr. 2006 Jun;136(6):1610-6.@@Iwata Y, Miyamoto S, Takamura M, Yanagisawa H, Kasuya A: Interaction between peroxisome proliferator-activated receptor gamma and its agonists: docking study of oximes having 5-benzyl-2,4-thiazolidinedione. J Mol Graph Model. 2001;19(6):536-42, 598-600.@@Horia E, Watkins BA: Complementary actions of docosahexaenoic acid and genistein on COX-2, PGE2 and invasiveness in MDA-MB-231 breast cancer cells. Carcinogenesis. 2007 Apr;28(4):809-15. Epub 2006 Oct 19.@@Ramakers JD, Mensink RP, Schaart G, Plat J: Arachidonic acid but not eicosapentaenoic acid (EPA) and oleic acid activates NF-kappaB and elevates ICAM-1 expression in Caco-2 cells. Lipids. 2007 Aug;42(8):687-98. Epub 2007 Jul 3.@@Li H, Ruan XZ, Powis SH, Fernando R, Mon WY, Wheeler DC, Moorhead JF, Varghese Z: EPA and DHA reduce LPS-induced inflammation responses in HK-2 cells: evidence for a PPAR-gamma-dependent mechanism. Kidney Int. 2005 Mar;67(3):867-74."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0001007	PPARD	Q03181	PPARD_HUMAN	agonist	11552681; 10198642; 17632107; 9610365; 16507691	"Iwata Y, Miyamoto S, Takamura M, Yanagisawa H, Kasuya A: Interaction between peroxisome proliferator-activated receptor gamma and its agonists: docking study of oximes having 5-benzyl-2,4-thiazolidinedione. J Mol Graph Model. 2001;19(6):536-42, 598-600.@@Xu HE, Lambert MH, Montana VG, Parks DJ, Blanchard SG, Brown PJ, Sternbach DD, Lehmann JM, Wisely GB, Willson TM, Kliewer SA, Milburn MV: Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol Cell. 1999 Mar;3(3):397-403.@@Kondo H, Misaki R, Gelman L, Watabe S: Ligand-dependent transcriptional activities of four torafugu pufferfish Takifugu rubripes peroxisome proliferator-activated receptors. Gen Comp Endocrinol. 2007 Oct-Dec;154(1-3):120-7. Epub 2007 Jun 12.@@Inoue I, Shino K, Noji S, Awata T, Katayama S: Expression of peroxisome proliferator-activated receptor alpha (PPAR alpha) in primary cultures of human vascular endothelial cells. Biochem Biophys Res Commun. 1998 May 19;246(2):370-4.@@Caldari-Torres C, Rodriguez-Sallaberry C, Greene ES, Badinga L: Differential effects of n-3 and n-6 fatty acids on prostaglandin F2alpha production by bovine endometrial cells. J Dairy Sci. 2006 Mar;89(3):971-7."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0000688	FFAR1	O14842	FFAR1_HUMAN	agonist	16214394	"Itoh Y, Hinuma S: GPR40, a free fatty acid receptor on pancreatic beta cells, regulates insulin secretion. Hepatol Res. 2005 Oct;33(2):171-3. Epub 2005 Oct 6."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0000986	SLC8A1	P32418	NAC1_HUMAN	inhibitor	15358223	"Xiao YF, Ke Q, Chen Y, Morgan JP, Leaf A: Inhibitory effect of n-3 fish oil fatty acids on cardiac Na+/Ca2+ exchange currents in HEK293t cells. Biochem Biophys Res Commun. 2004 Aug 13;321(1):116-23."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0000996	ACSL4	O60488	ACSL4_HUMAN	inducer	12784866; 15108178	"Heimli H, Hollung K, Drevon CA: Eicosapentaenoic acid-induced apoptosis depends on acyl CoA-synthetase. Lipids. 2003 Mar;38(3):263-8.@@Covault J, Pettinati H, Moak D, Mueller T, Kranzler HR: Association of a long-chain fatty acid-CoA ligase 4 gene polymorphism with depression and with enhanced niacin-induced dermal erythema. Am J Med Genet B Neuropsychiatr Genet. 2004 May 15;127B(1):42-7."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	inducer	17038422	"Matta JA, Miyares RL, Ahern GP: TRPV1 is a novel target for omega-3 polyunsaturated fatty acids. J Physiol. 2007 Jan 15;578(Pt 2):397-411. Epub 2006 Oct 12."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00159	Icosapent	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13."	Approved; Nutraceutical	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Non COX-2 selective NSAIDS; Supplements; Anti-Inflammatory Agents; Nephrotoxic agents; Dietary Fats, Unsaturated; Eicosanoids; Dietary Supplements; Fish Oils; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Oils; Fatty Acids, Omega-3; Fatty Acids; Lipids; Agents that produce hypertension; Fats; Hypolipidemic Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Fatty Acids, Unsaturated; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Alpha Linolenic Acid and Linoleic Acid Metabolism	metabolic		1798	46506267	D08061	PA164746077		DAP000969	Eicosapentaenoic_acid	CHEMBL460026	90
DB00160	Alanine	BE0000316	AGXT	P21549	SPYA_HUMAN		17139284; 17016423; 17110443; 11562405; 10453743	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Salido EC, Li XM, Lu Y, Wang X, Santana A, Roy-Chowdhury N, Torres A, Shapiro LJ, Roy-Chowdhury J: Alanine-glyoxylate aminotransferase-deficient mice, a model for primary hyperoxaluria that responds to adenoviral gene transfer. Proc Natl Acad Sci U S A. 2006 Nov 28;103(48):18249-54. Epub 2006 Nov 16.@@Amoroso A, Pirulli D, Florian F, Puzzer D, Boniotto M, Crovella S, Zezlina S, Spano A, Mazzola G, Savoldi S, Ferrettini C, Berutti S, Petrarulo M, Marangella M: AGXT gene mutations and their influence on clinical heterogeneity of type 1 primary hyperoxaluria. J Am Soc Nephrol. 2001 Oct;12(10):2072-9.@@Pirulli D, Puzzer D, Ferri L, Crovella S, Amoroso A, Ferrettini C, Marangella M, Mazzola G, Florian F: Molecular analysis of hyperoxaluria type 1 in Italian patients reveals eight new mutations in the alanine: glyoxylate aminotransferase gene. Hum Genet. 1999 Jun;104(6):523-5."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000151	NFS1	Q9Y697	NFS1_HUMAN		17469805; 17660944	"You D, Wang L, Yao F, Zhou X, Deng Z: A novel DNA modification by sulfur: DndA is a NifS-like cysteine desulfurase capable of assembling DndC as an iron-sulfur cluster protein in Streptomyces lividans. Biochemistry. 2007 May 22;46(20):6126-33. Epub 2007 May 1.@@Zeng J, Zhang Y, Liu Y, Zhang X, Xia L, Liu J, Qiu G: Expression, purification and characterization of a cysteine desulfurase, IscS, from Acidithiobacillus ferrooxidans. Biotechnol Lett. 2007 Dec;29(12):1983-90. Epub 2007 Jul 28."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000536	SLC36A1	Q7Z2H8	S36A1_HUMAN		17139284; 17016423; 16373326	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Miyauchi S, Abbot EL, Zhuang L, Subramanian R, Ganapathy V, Thwaites DT: Isolation and function of the amino acid transporter PAT1 (slc36a1) from rabbit and discrimination between transport via PAT1 and system IMINO in renal brush-border membrane vesicles. Mol Membr Biol. 2005 Nov-Dec;22(6):549-59."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000789	SLC7A8	Q9UHI5	LAT2_HUMAN		17504263	"Broer S, Broer A, Hansen JT, Bubb WA, Balcar VJ, Nasrallah FA, Garner B, Rae C: Alanine metabolism, transport, and cycling in the brain. J Neurochem. 2007 Sep;102(6):1758-70. Epub 2007 May 14."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000102	AGXT2	Q9BYV1	AGT2_HUMAN		17139284; 17016423; 2907870; 6703688	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Okuno E, Ishikawa T, Kawai J, Kido R: Alanine:glyoxylate aminotransferase activities in liver of Suncus murinus (insectivora). Comp Biochem Physiol B. 1988;90(4):773-8.@@Takada Y, Mori T, Noguchi T: The effect of vitamin B6 deficiency on alanine: glyoxylate aminotransferase isoenzymes in rat liver. Arch Biochem Biophys. 1984 Feb 15;229(1):1-6."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000294	AARS	P49588	SYAC_HUMAN		17139284; 17016423; 10871402; 8601277; 7742303	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nagan MC, Beuning P, Musier-Forsyth K, Cramer CJ: Importance of discriminator base stacking interactions: molecular dynamics analysis of A73 microhelix(Ala) variants. Nucleic Acids Res. 2000 Jul 1;28(13):2527-34.@@McClain WH, Gabriel K, Schneider J: Specific function of a G.U wobble pair from an adjacent helical site in tRNA(Ala) during recognition by alanyl-tRNA synthetase. RNA. 1996 Feb;2(2):105-9.@@Buechter DD, Schimmel P: Minor groove recognition of the critical acceptor helix base pair by an appended module of a class II tRNA synthetase. Biochemistry. 1995 May 9;34(18):6014-9."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000253	ABAT	P80404	GABT_HUMAN	inhibitor	17504214; 11752352	"Amadasi A, Bertoldi M, Contestabile R, Bettati S, Cellini B, di Salvo ML, Borri-Voltattorni C, Bossa F, Mozzarelli A: Pyridoxal 5'-phosphate enzymes as targets for therapeutic agents. Curr Med Chem. 2007;14(12):1291-324.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0000392	KYNU	Q16719	KYNU_HUMAN		17334708; 17300176	"Christensen M, Duno M, Lund AM, Skovby F, Christensen E: Xanthurenic aciduria due to a mutation in KYNU encoding kynureninase. J Inherit Metab Dis. 2007 Apr;30(2):248-55. Epub 2007 Mar 1.@@Lima S, Khristoforov R, Momany C, Phillips RS: Crystal structure of Homo sapiens kynureninase. Biochemistry. 2007 Mar 13;46(10):2735-44. Epub 2007 Feb 15."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00160	Alanine	BE0002166	GPT2	Q8TD30	ALAT2_HUMAN		17139284; 17016423; 11863375; 15122758; 16495081	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Yang RZ, Blaileanu G, Hansen BC, Shuldiner AR, Gong DW: cDNA cloning, genomic structure, chromosomal mapping, and functional expression of a novel human alanine aminotransferase. Genomics. 2002 Mar;79(3):445-50.@@Jadhao SB, Yang RZ, Lin Q, Hu H, Anania FA, Shuldiner AR, Gong DW: Murine alanine aminotransferase: cDNA cloning, functional expression, and differential gene regulation in mouse fatty liver. Hepatology. 2004 May;39(5):1297-302.@@Rajamohan F, Nelms L, Joslin DL, Lu B, Reagan WJ, Lawton M: cDNA cloning, expression, purification, distribution, and characterization of biologically active canine alanine aminotransferase-1. Protein Expr Purif. 2006 Jul;48(1):81-9. Epub 2006 Jan 30."	Nutraceutical	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Alanine; Dietary Supplements; Amino Acids, Peptides, and Proteins"	C[C@H](N)C(O)=O		gamma-Glutamyltranspeptidase Deficiency; Clomocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; 5-Oxoprolinuria; Azithromycin Action Pathway; Glutamate Metabolism; Clindamycin Action Pathway; Clarithromycin Action Pathway; Argininosuccinic Aciduria; Hyperinsulinism-Hyperammonemia Syndrome; Tryptophan Metabolism; Alanine Metabolism; Glutaminolysis and Cancer; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Selenoamino Acid Metabolism; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Erythromycin Action Pathway; Netilmicin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Streptomycin Action Pathway	disease; metabolic; drug_action		2963	46504866	D00012	PA448055		DAP000805	Alanine	CHEMBL279597	426
DB00161	Valine	BE0000544	PCCB	P05166	PCCB_HUMAN		17139284; 17016423; 12409268	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kim SN, Ryu KH, Lee EH, Kim JS, Hahn SH: Molecular analysis of PCCB gene in Korean patients with propionic acidemia. Mol Genet Metab. 2002 Nov;77(3):209-16."	Approved; Nutraceutical	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Malonic Aciduria; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Propanoate Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		9928	46504886	D00039	PA451843			Valine	CHEMBL43068	11115
DB00161	Valine	BE0000517	BCAT1	P54687	BCAT1_HUMAN		17554170; 15667998; 17077963	"Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Beck HC: Branched-chain fatty acid biosynthesis in a branched-chain amino acid aminotransferase mutant of Staphylococcus carnosus. FEMS Microbiol Lett. 2005 Feb 1;243(1):37-44.@@Saito M, Nishimura K, Wakabayashi S, Kurihara T, Nagata Y: Purification of branched-chain amino acid aminotransferase from Helicobacter pylori NCTC 11637. Amino Acids. 2007 Sep;33(3):445-9. Epub 2006 Nov 2."	Approved; Nutraceutical	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC(C)[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Malonic Aciduria; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Propanoate Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		9928	46504886	D00039	PA451843			Valine	CHEMBL43068	11115
DB00162	Vitamin A	BE0000726	RDH12	Q96NR8	RDH12_HUMAN	substrate	17032653; 16269441; 17512723	"Maeda A, Maeda T, Imanishi Y, Sun W, Jastrzebska B, Hatala DA, Winkens HJ, Hofmann KP, Janssen JJ, Baehr W, Driessen CA, Palczewski K: Retinol dehydrogenase (RDH12) protects photoreceptors from light-induced degeneration in mice. J Biol Chem. 2006 Dec 8;281(49):37697-704. Epub 2006 Oct 10.@@Thompson DA, Janecke AR, Lange J, Feathers KL, Hubner CA, McHenry CL, Stockton DW, Rammesmayer G, Lupski JR, Antinolo G, Ayuso C, Baiget M, Gouras P, Heckenlively JR, den Hollander A, Jacobson SG, Lewis RA, Sieving PA, Wissinger B, Yzer S, Zrenner E, Utermann G, Gal A: Retinal degeneration associated with RDH12 mutations results from decreased 11-cis retinal synthesis due to disruption of the visual cycle. Hum Mol Genet. 2005 Dec 15;14(24):3865-75. Epub 2005 Nov 3.@@Keller B, Adamski J: RDH12, a retinol dehydrogenase causing Leber's congenital amaurosis, is also involved in steroid metabolism. J Steroid Biochem Mol Biol. 2007 May;104(3-5):190-4. Epub 2007 Mar 23."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00162	Vitamin A	BE0000513	ALDH1A2	O94788	AL1A2_HUMAN	substrate	17098734; 17184764; 16538685; 16982809; 17270546	"Isken A, Holzschuh J, Lampert JM, Fischer L, Oberhauser V, Palczewski K, von Lintig J: Sequestration of retinyl esters is essential for retinoid signaling in the zebrafish embryo. J Biol Chem. 2007 Jan 12;282(2):1144-51. Epub 2006 Nov 10.@@Halilagic A, Ribes V, Ghyselinck NB, Zile MH, Dolle P, Studer M: Retinoids control anterior and dorsal properties in the developing forebrain. Dev Biol. 2007 Mar 1;303(1):362-75. Epub 2006 Nov 17.@@Asson-Batres MA, Smith WB: Localization of retinaldehyde dehydrogenases and retinoid binding proteins to sustentacular cells, glia, Bowman's gland cells, and stroma: potential sites of retinoic acid synthesis in the postnatal rat olfactory organ. J Comp Neurol. 2006 May 10;496(2):149-71.@@Szatmari I, Pap A, Ruhl R, Ma JX, Illarionov PA, Besra GS, Rajnavolgyi E, Dezso B, Nagy L: PPARgamma controls CD1d expression by turning on retinoic acid synthesis in developing human dendritic cells. J Exp Med. 2006 Oct 2;203(10):2351-62. Epub 2006 Sep 18.@@Nakazawa N, Montedonico S, Takayasu H, Paradisi F, Puri P: Disturbance of retinol transportation causes nitrofen-induced hypoplastic lung. J Pediatr Surg. 2007 Feb;42(2):345-9."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00162	Vitamin A	BE0000554	ALDH1A1	P00352	AL1A1_HUMAN	substrate	16538685; 17329364; 16829625; 17486539; 16763553	"Asson-Batres MA, Smith WB: Localization of retinaldehyde dehydrogenases and retinoid binding proteins to sustentacular cells, glia, Bowman's gland cells, and stroma: potential sites of retinoic acid synthesis in the postnatal rat olfactory organ. J Comp Neurol. 2006 May 10;496(2):149-71.@@Chambers D, Wilson L, Maden M, Lumsden A: RALDH-independent generation of retinoic acid during vertebrate embryogenesis by CYP1B1. Development. 2007 Apr;134(7):1369-83. Epub 2007 Feb 28.@@Gyamfi MA, Kocsis MG, He L, Dai G, Mendy AJ, Wan YJ: The role of retinoid X receptor alpha in regulating alcohol metabolism. J Pharmacol Exp Ther. 2006 Oct;319(1):360-8. Epub 2006 Jul 7.@@Maden M, Blentic A, Reijntjes S, Seguin S, Gale E, Graham A: Retinoic acid is required for specification of the ventral eye field and for Rathke's pouch in the avian embryo. Int J Dev Biol. 2007;51(3):191-200.@@Huq MD, Tsai NP, Gupta P, Wei LN: Regulation of retinal dehydrogenases and retinoic acid synthesis by cholesterol metabolites. EMBO J. 2006 Jul 12;25(13):3203-13. Epub 2006 Jun 8."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00162	Vitamin A	BE0000900	LRAT	O95237	LRAT_HUMAN	substrate	16054134; 16174770	"Kaschula CH, Jin MH, Desmond-Smith NS, Travis GH: Acyl CoA:retinol acyltransferase (ARAT) activity is present in bovine retinal pigment epithelium. Exp Eye Res. 2006 Jan;82(1):111-21. Epub 2005 Jul 27.@@Liu L, Gudas LJ: Disruption of the lecithin:retinol acyltransferase gene makes mice more susceptible to vitamin A deficiency. J Biol Chem. 2005 Dec 2;280(48):40226-34. Epub 2005 Sep 20."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00162	Vitamin A	BE0002319	DHRS3	O75911	DHRS3_HUMAN	substrate	9705317; 11861404; 12697717	"Haeseleer F, Huang J, Lebioda L, Saari JC, Palczewski K: Molecular characterization of a novel short-chain dehydrogenase/reductase that reduces all-trans-retinal. J Biol Chem. 1998 Aug 21;273(34):21790-9.@@Cerignoli F, Guo X, Cardinali B, Rinaldi C, Casaletto J, Frati L, Screpanti I, Gudas LJ, Gulino A, Thiele CJ, Giannini G: retSDR1, a short-chain retinol dehydrogenase/reductase, is retinoic acid-inducible and frequently deleted in human neuroblastoma cell lines. Cancer Res. 2002 Feb 15;62(4):1196-204.@@Chai Z, Brereton P, Suzuki T, Sasano H, Obeyesekere V, Escher G, Saffery R, Fuller P, Enriquez C, Krozowski Z: 17 beta-hydroxysteroid dehydrogenase type XI localizes to human steroidogenic cells. Endocrinology. 2003 May;144(5):2084-91."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00162	Vitamin A	BE0002322	RDH14	Q9HBH5	RDH14_HUMAN	substrate	12435598	"Belyaeva OV, Kedishvili NY: Human pancreas protein 2 (PAN2) has a retinal reductase activity and is ubiquitously expressed in human tissues. FEBS Lett. 2002 Nov 20;531(3):489-93. doi: 10.1016/s0014-5793(02)03588-3."	Approved; Nutraceutical; Vet_approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Antioxidants; Vitamin A; Vitamins; Growth Substances; Protective Agents; Adjuvants, Immunologic; Tests for Fat Absorption; Dermatologicals; Esters; Anti-Acne Preparations; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Immunologic Factors; Cyclohexanes; Pigments, Biological; Nasal Preparations; Alimentary Tract and Metabolism; Terpenes; Anticarcinogenic Agents; Biological Factors; Diagnostic Agents; Diterpenes; Diet, Food, and Nutrition; Food; Retinoids; Compounds used in a research, industrial, or household setting; Micronutrients; Physiological Phenomena; Ophthalmologicals; Polyenes; Retinoids for Topical Use in Acne; Carotenoids; Sensory Organs"	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		230	46508191	D00069	PA451884		DNC001498	Vitamin_A	CHEMBL986	11246
DB00163	Vitamin E	BE0000076	SEC14L4	Q9UDX3	S14L4_HUMAN		26981194	"Schmolz L, Birringer M, Lorkowski S, Wallert M: Complexity of vitamin E metabolism. World J Biol Chem. 2016 Feb 26;7(1):14-43. doi: 10.4331/wjbc.v7.i1.14."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16603143; 16880233	"Rabovsky A, Cuomo J, Eich N: Measurement of plasma antioxidant reserve after supplementation with various antioxidants in healthy subjects. Clin Chim Acta. 2006 Sep;371(1-2):55-60. Epub 2006 Mar 6.@@Meijerman I, Beijnen JH, Schellens JH: Herb-drug interactions in oncology: focus on mechanisms of induction. Oncologist. 2006 Jul-Aug;11(7):742-52."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0000872	PRKCB	P05771	KPCB_HUMAN		17139284; 17016423; 15184978; 11850093; 10644549	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0002324	DGKA	P23743	DGKA_HUMAN		28572624; 15773894	"Hayashi D, Yagi K, Song C, Ueda S, Yamanoue M, Topham M, Suzaki T, Saito N, Emoto N, Shirai Y: Diacylglycerol Kinase alpha is Involved in the Vitamin E-Induced Amelioration of Diabetic Nephropathy in Mice. Sci Rep. 2017 Jun 1;7(1):2597. doi: 10.1038/s41598-017-02354-3.@@Fukunaga-Takenaka R, Shirai Y, Yagi K, Adachi N, Sakai N, Merino E, Merida I, Saito N: Importance of chroman ring and tyrosine phosphorylation in the subtype-specific translocation and activation of diacylglycerol kinase alpha by D-alpha-tocopherol. Genes Cells. 2005 Apr;10(4):311-9. doi: 10.1111/j.1365-2443.2005.00842.x."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0002325	PPP2CB	P62714	PP2AB_HUMAN		9693126; 17320164; 10322434	"Ricciarelli R, Tasinato A, Clement S, Ozer NK, Boscoboinik D, Azzi A: alpha-Tocopherol specifically inactivates cellular protein kinase C alpha by changing its phosphorylation state. Biochem J. 1998 Aug 15;334 ( Pt 1):243-9. doi: 10.1042/bj3340243.@@Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12.@@Millward TA, Zolnierowicz S, Hemmings BA: Regulation of protein kinase cascades by protein phosphatase 2A. Trends Biochem Sci. 1999 May;24(5):186-91. doi: 10.1016/s0968-0004(99)01375-4."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00163	Vitamin E	BE0002326	PPP2CA	P67775	PP2AA_HUMAN		10322434; 9693126; 17320164	"Millward TA, Zolnierowicz S, Hemmings BA: Regulation of protein kinase cascades by protein phosphatase 2A. Trends Biochem Sci. 1999 May;24(5):186-91. doi: 10.1016/s0968-0004(99)01375-4.@@Ricciarelli R, Tasinato A, Clement S, Ozer NK, Boscoboinik D, Azzi A: alpha-Tocopherol specifically inactivates cellular protein kinase C alpha by changing its phosphorylation state. Biochem J. 1998 Aug 15;334 ( Pt 1):243-9. doi: 10.1042/bj3340243.@@Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00165	Pyridoxine	BE0000042	PDXK	O00764	PDXK_HUMAN	ligand	16494569; 16978644; 16466641; 18256491; 17766369	"Adams JB, George F, Audhya T: Abnormally high plasma levels of vitamin B6 in children with autism not taking supplements compared to controls not taking supplements. J Altern Complement Med. 2006 Jan-Feb;12(1):59-63.@@Newman JA, Das SK, Sedelnikova SE, Rice DW: The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parallel emergence of enzyme activity during evolution. J Mol Biol. 2006 Oct 20;363(2):520-30. Epub 2006 Aug 12.@@Kim SY, An JJ, Kim DW, Choi SH, Lee SH, Hwang SI, Kwon OS, Kang TC, Won MH, Cho SW, Park J, Eum WS, Lee KS, Choi SY: Tat-mediated protein transduction of human brain pyridoxine-5-P oxidase into PC12 cells. J Biochem Mol Biol. 2006 Jan 31;39(1):76-83.@@Nagahashi Y, Tazoe M, Hoshino T: Cloning of the pyridoxine 5'-phosphate phosphatase gene (pdxP) and vitamin B6 production in pdxP recombinant Sinorhizobium meliloti. Biosci Biotechnol Biochem. 2008 Feb;72(2):421-7. Epub 2008 Feb 7.@@Musayev FN, di Salvo ML, Ko TP, Gandhi AK, Goswami A, Schirch V, Safo MK: Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation. Protein Sci. 2007 Oct;16(10):2184-94. doi: 10.1110/ps.073022107. Epub 2007 Aug 31."	Approved; Investigational; Nutraceutical; Vet_approved	Pyridoxines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines	"Drugs for Treatment of Tuberculosis; Vitamins; Vitamin B Complex; Diet, Food, and Nutrition; Food; Alimentary Tract and Metabolism; Picolines; Drugs that are Mainly Renally Excreted; Antimycobacterials; Antiinfectives for Systemic Use; Analogs/Derivatives; Pyridines; Micronutrients"	CC1=C(O)C(CO)=C(CO)C=N1		Hypophosphatasia; Vitamin B6 Metabolism	disease; metabolic		11169	46508560		PA451897		DAP000869	Pyridoxine	CHEMBL1364	42954
DB00167	Isoleucine	BE0000573	ACADSB	P45954	ACDSB_HUMAN		15615815; 16317551; 16950638	"Korman SH, Andresen BS, Zeharia A, Gutman A, Boneh A, Pitt JJ: 2-ethylhydracrylic aciduria in short/branched-chain acyl-CoA dehydrogenase deficiency: application to diagnosis and implications for the R-pathway of isoleucine oxidation. Clin Chem. 2005 Mar;51(3):610-7. Epub 2004 Dec 22.@@Madsen PP, Kibaek M, Roca X, Sachidanandam R, Krainer AR, Christensen E, Steiner RD, Gibson KM, Corydon TJ, Knudsen I, Wanders RJ, Ruiter JP, Gregersen N, Andresen BS: Short/branched-chain acyl-CoA dehydrogenase deficiency due to an IVS3+3A>G mutation that causes exon skipping. Hum Genet. 2006 Feb;118(6):680-90. Epub 2005 Nov 30.@@Korman SH: Inborn errors of isoleucine degradation: a review. Mol Genet Metab. 2006 Dec;89(4):289-99. Epub 2006 Sep 6."	Investigational; Nutraceutical	Isoleucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC[C@H](C)[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		9929	46506864	D00065	PA164750430			Isoleucine	CHEMBL1233584	6033
DB00167	Isoleucine	BE0000517	BCAT1	P54687	BCAT1_HUMAN		12667063; 17554170; 15667998; 14962140; 12147502	"Goto M, Miyahara I, Hayashi H, Kagamiyama H, Hirotsu K: Crystal structures of branched-chain amino acid aminotransferase complexed with glutamate and glutarate: true reaction intermediate and double substrate recognition of the enzyme. Biochemistry. 2003 Apr 8;42(13):3725-33.@@Chen CD, Huang TF, Lin CH, Guan HH, Hsieh YC, Lin YH, Huang YC, Liu MY, Chang WC, Chen CJ: Purification, crystallization and preliminary X-ray crystallographic analysis of branched-chain aminotransferase from Deinococcus radiodurans. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2007 Jun 1;63(Pt 6):492-4. Epub 2007 May 5.@@Beck HC: Branched-chain fatty acid biosynthesis in a branched-chain amino acid aminotransferase mutant of Staphylococcus carnosus. FEMS Microbiol Lett. 2005 Feb 1;243(1):37-44.@@Thage BV, Rattray FP, Laustsen MW, Ardo Y, Barkholt V, Houlberg U: Purification and characterization of a branched-chain amino acid aminotransferase from Lactobacillus paracasei subsp. paracasei CHCC 2115. J Appl Microbiol. 2004;96(3):593-602.@@Madsen SM, Beck HC, Ravn P, Vrang A, Hansen AM, Israelsen H: Cloning and inactivation of a branched-chain-amino-acid aminotransferase gene from Staphylococcus carnosus and characterization of the enzyme. Appl Environ Microbiol. 2002 Aug;68(8):4007-14."	Investigational; Nutraceutical	Isoleucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC[C@H](C)[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		9929	46506864	D00065	PA164750430			Isoleucine	CHEMBL1233584	6033
DB00167	Isoleucine	BE0002328	IARS2	Q9NSE4	SYIM_HUMAN		12783542; 14672940; 17095543; 15663927; 16697013	"Wang P, Tang Y, Tirrell DA: Incorporation of trifluoroisoleucine into proteins in vivo. J Am Chem Soc. 2003 Jun 11;125(23):6900-6.@@Fukunaga R, Fukai S, Ishitani R, Nureki O, Yokoyama S: Crystal structures of the CP1 domain from Thermus thermophilus isoleucyl-tRNA synthetase and its complex with L-valine. J Biol Chem. 2004 Feb 27;279(9):8396-402. Epub 2003 Dec 12.@@Zhu B, Zhao MW, Eriani G, Wang ED: A present-day aminoacyl-tRNA synthetase with ancestral editing properties. RNA. 2007 Jan;13(1):15-21. Epub 2006 Nov 9.@@Fukunaga R, Yokoyama S: Crystal structure of leucyl-tRNA synthetase from the archaeon Pyrococcus horikoshii reveals a novel editing domain orientation. J Mol Biol. 2005 Feb 11;346(1):57-71. Epub 2004 Dec 19.@@Fukunaga R, Yokoyama S: Structural basis for substrate recognition by the editing domain of isoleucyl-tRNA synthetase. J Mol Biol. 2006 Jun 16;359(4):901-12. Epub 2006 Apr 25."	Investigational; Nutraceutical	Isoleucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Essential; Amino Acids, Branched-Chain; Dietary Supplements; Amino Acids, Peptides, and Proteins"	CC[C@H](C)[C@H](N)C(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Lincomycin Action Pathway; Isobutyryl-CoA Dehydrogenase Deficiency; Methacycline Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Troleandomycin Action Pathway; Amikacin Action Pathway; Methylmalonic Aciduria; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Doxycycline Action Pathway; 3-Methylglutaconic Aciduria Type IV; Telithromycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Valine, Leucine, and Isoleucine Degradation; Arbekacin Action Pathway; Isovaleric Acidemia; Chloramphenicol Action Pathway"	disease; metabolic; drug_action		9929	46506864	D00065	PA164750430			Isoleucine	CHEMBL1233584	6033
DB00168	Aspartame	BE0000582	TAS1R3	Q7RTX0	TS1R3_HUMAN		26377607	"Maillet EL, Cui M, Jiang P, Mezei M, Hecht E, Quijada J, Margolskee RF, Osman R, Max M: Characterization of the Binding Site of Aspartame in the Human Sweet Taste Receptor. Chem Senses. 2015 Oct;40(8):577-86. doi: 10.1093/chemse/bjv045."	Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Flavoring Agents; OAT3/SLC22A8 Inhibitors; Physiological Phenomena; Diet, Food, and Nutrition; Oligopeptides; OAT1/SLC22A6 inhibitors; Food; Peptides; Food Additives; Food Ingredients; Dipeptides; Sweetening Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O						46507278	D02381	PA448493			Aspartame	CHEMBL171679	1311524
DB00168	Aspartame	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	inducer	17567713	"Riera CE, Vogel H, Simon SA, le Coutre J: Artificial sweeteners and salts producing a metallic taste sensation activate TRPV1 receptors. Am J Physiol Regul Integr Comp Physiol. 2007 Aug;293(2):R626-34. Epub 2007 Jun 13."	Investigational; Nutraceutical	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Flavoring Agents; OAT3/SLC22A8 Inhibitors; Physiological Phenomena; Diet, Food, and Nutrition; Oligopeptides; OAT1/SLC22A6 inhibitors; Food; Peptides; Food Additives; Food Ingredients; Dipeptides; Sweetening Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O						46507278	D02381	PA448493			Aspartame	CHEMBL171679	1311524
DB00169	Cholecalciferol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	15503649; 11752352; 20435140	"Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fujishima T, Tsuji G, Tanaka C, Harayama H: Novel vitamin D receptor ligands having a carboxyl group as an anchor to arginine 274 in the ligand-binding domain. J Steroid Biochem Mol Biol. 2010 Jul;121(1-2):60-2. doi: 10.1016/j.jsbmb.2010.04.020. Epub 2010 May 6."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Vitamins; Growth Substances; Cholecalciferol, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Cholestenes; Cytochrome P-450 CYP2C8 Inhibitors; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Musculo-Skeletal System; Diet, Food, and Nutrition; Vitamin D and Analogues; Calcium-Regulating Hormones and Agents; Lipids; Food; Drugs Affecting Bone Structure and Mineralization; Cytochrome P-450 CYP3A4 Substrates; Drugs for Treatment of Bone Diseases; Micronutrients; Secosteroids; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Membrane Lipids"	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		703	46506365	D00188	PA164748138		DAP001273	Cholecalciferol	CHEMBL1042	1244014
DB00170	Menadione	BE0002329	VKORC1L1	Q8N0U8	VKORL_HUMAN	cofactor	16677080; 16102054	"Oldenburg J, Bevans CG, Muller CR, Watzka M: Vitamin K epoxide reductase complex subunit 1 (VKORC1): the key protein of the vitamin K cycle. Antioxid Redox Signal. 2006 Mar-Apr;8(3-4):347-53.@@Stafford DW: The vitamin K cycle. J Thromb Haemost. 2005 Aug;3(8):1873-8."	Approved; Nutraceutical	Naphthoquinones	Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones	"Supplements; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Phytol; Vitamins; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Dietary Supplements; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antifibrinolytic Agents; Vitamins (Fat Soluble); Cytochrome P-450 Enzyme Inhibitors; Coagulants; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Terpenes; Quinones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Naphthoquinones; Diterpenes; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vitamin K; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Food; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC1=CC(=O)C2=CC=CC=C2C1=O					4913	46505447	D02335	PA450358		DNC001501	Menadione	CHEMBL590	6728
DB00170	Menadione	BE0000364	F9	P00740	FA9_HUMAN	activator	17348045	"Berkessel A, Guixa M, Schmidt F, Neudorfl JM, Lex J: Highly enantioselective epoxidation of 2-methylnaphthoquinone (vitamin K3) mediated by new cinchona alkaloid phase-transfer catalysts. Chemistry. 2007;13(16):4483-98."	Approved; Nutraceutical	Naphthoquinones	Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones	"Supplements; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Phytol; Vitamins; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Dietary Supplements; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antifibrinolytic Agents; Vitamins (Fat Soluble); Cytochrome P-450 Enzyme Inhibitors; Coagulants; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Terpenes; Quinones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Naphthoquinones; Diterpenes; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vitamin K; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Food; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC1=CC(=O)C2=CC=CC=C2C1=O					4913	46505447	D02335	PA450358		DNC001501	Menadione	CHEMBL590	6728
DB00171	ATP	BE0001188	ABCC4	O15439	MRP4_HUMAN		14978246	"Sauna ZE, Peng XH, Nandigama K, Tekle S, Ambudkar SV: The molecular basis of the action of disulfiram as a modulator of the multidrug resistance-linked ATP binding cassette transporters MDR1 (ABCB1) and MRP1 (ABCC1). Mol Pharmacol. 2004 Mar;65(3):675-84."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000785	ABCC1	P33527	MRP1_HUMAN		15459206	"Westlake CJ, Payen L, Gao M, Cole SP, Deeley RG: Identification and characterization of functionally important elements in the multidrug resistance protein 1 COOH-terminal region. J Biol Chem. 2004 Dec 17;279(51):53571-83. Epub 2004 Sep 30."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0001195	CFTR	P13569	CFTR_HUMAN	cofactor	15623556	"Berger AL, Ikuma M, Welsh MJ: Normal gating of CFTR requires ATP binding to both nucleotide-binding domains and hydrolysis at the second nucleotide-binding domain. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):455-60. Epub 2004 Dec 27."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0002379	PIK3CA	P42336	PK3CA_HUMAN		18754654	"Folkes AJ, Ahmadi K, Alderton WK, Alix S, Baker SJ, Box G, Chuckowree IS, Clarke PA, Depledge P, Eccles SA, Friedman LS, Hayes A, Hancox TC, Kugendradas A, Lensun L, Moore P, Olivero AG, Pang J, Patel S, Pergl-Wilson GH, Raynaud FI, Robson A, Saghir N, Salphati L, Sohal S, Ultsch MH, Valenti M, Wallweber HJ, Wan NC, Wiesmann C, Workman P, Zhyvoloup A, Zvelebil MJ, Shuttleworth SJ: The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-t hieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer . J Med Chem. 2008 Sep 25;51(18):5522-32. doi: 10.1021/jm800295d."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000435	ABL2	P42684	ABL2_HUMAN	inhibitor	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000119	ABCA1	O95477	ABCA1_HUMAN		17135600; 17224860; 16858612	"Porchay I, Pean F, Bellili N, Royer B, Cogneau J, Chesnier MC, Caradec A, Tichet J, Balkau B, Marre M, Fumeron F: ABCA1 single nucleotide polymorphisms on high-density lipoprotein-cholesterol and overweight: the D.E.S.I.R. study. Obesity (Silver Spring). 2006 Nov;14(11):1874-9.@@Badeau R, Jauhiainen M, Metso J, Nikander E, Tikkanen MJ, Ylikorkala O, Mikkola TS: Effect of isolated isoflavone supplementation on ABCA1-dependent cholesterol efflux potential in postmenopausal women. Menopause. 2007 Mar-Apr;14(2):293-9.@@Zarubica A, Trompier D, Chimini G: ABCA1, from pathology to membrane function. Pflugers Arch. 2007 Feb;453(5):569-79. Epub 2006 Jul 21."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000350	ACSS2	Q9NR19	ACSA_HUMAN		17139284; 17016423; 12493915; 14704009	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Starai VJ, Celic I, Cole RN, Boeke JD, Escalante-Semerena JC: Sir2-dependent activation of acetyl-CoA synthetase by deacetylation of active lysine. Science. 2002 Dec 20;298(5602):2390-2.@@Schuler AJ, Jenkins D: Enhanced biological phosphorus removal from wastewater by biomass with different phosphorus contents, Part II: Anaerobic adenosine triphosphate utilization and acetate uptake rates. Water Environ Res. 2003 Nov-Dec;75(6):499-511."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000359	ALK	Q9UM73	ALK_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000202	NAE1	Q13564	ULA1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000261	NT5C2	P49902	5NTC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000469	ABCC9	O60706	ABCC9_HUMAN		16845255; 16829188; 16897043	"Zhao JL, Yang YJ, You SJ, Jing ZC, Wu YJ, Cheng JL, Gao RL: Pretreatment with fosinopril or valsartan reduces myocardial no-reflow after acute myocardial infarction and reperfusion. Coron Artery Dis. 2006 Aug;17(5):463-9.@@Yang YJ, Zhao JL, You SJ, Wu YJ, Jing ZC, Gao RL, Chen ZJ: Post-infarction treatment with simvastatin reduces myocardial no-reflow by opening of the KATP channel. Eur J Heart Fail. 2007 Jan;9(1):30-6. Epub 2006 Jul 7.@@Bryan J, Munoz A, Zhang X, Dufer M, Drews G, Krippeit-Drews P, Aguilar-Bryan L: ABCC8 and ABCC9: ABC transporters that regulate K+ channels. Pflugers Arch. 2007 Feb;453(5):703-18. Epub 2006 Aug 8."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000341	ADRBK1	P25098	ARBK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000746	ACSS1	Q9NUB1	ACS2L_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000665	ACVR1B	P36896	ACV1B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000264	ACVR1	Q04771	ACVR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000703	ABCB11	O95342	ABCBB_HUMAN		17126857; 16819395	"Snow KL, Moseley RH: Effect of thiazolidinediones on bile acid transport in rat liver. Life Sci. 2007 Jan 30;80(8):732-40. Epub 2006 Nov 10.@@Suchy FJ, Ananthanarayanan M: Bile salt excretory pump: biology and pathobiology. J Pediatr Gastroenterol Nutr. 2006 Jul;43 Suppl 1:S10-6."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000219	ASNS	P08243	ASNS_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000437	CDK15	Q96Q40	CDK15_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000207	ABCC8	Q09428	ABCC8_HUMAN		17325510; 16931986; 16897043; 17457130	"Nakamura A, Kawahito S, Kawano T, Nazari H, Takahashi A, Kitahata H, Nakaya Y, Oshita S: Differential effects of etomidate and midazolam on vascular adenosine triphosphate-sensitive potassium channels: isometric tension and patch clamp studies. Anesthesiology. 2007 Mar;106(3):515-22.@@Bienengraeber M, Warltier DC, Bosnjak ZJ, Stadnicka A: Mechanism of cardiac sarcolemmal adenosine triphosphate-sensitive potassium channel activation by isoflurane in a heterologous expression system. Anesthesiology. 2006 Sep;105(3):534-40.@@Bryan J, Munoz A, Zhang X, Dufer M, Drews G, Krippeit-Drews P, Aguilar-Bryan L: ABCC8 and ABCC9: ABC transporters that regulate K+ channels. Pflugers Arch. 2007 Feb;453(5):703-18. Epub 2006 Aug 8.@@Tanaka K, Kawano T, Nakamura A, Nazari H, Kawahito S, Oshita S, Takahashi A, Nakaya Y: Isoflurane activates sarcolemmal adenosine triphosphate-sensitive potassium channels in vascular smooth muscle cells: a role for protein kinase A. Anesthesiology. 2007 May;106(5):984-91."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000671	ASS1	P00966	ASSY_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000018	ADRBK2	P35626	ARBK2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000675	AMHR2	Q16671	AMHR2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000772	TNK2	Q07912	ACK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0000269	ADCY1	Q08828	ADCY1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0001032	ABCB1	P08183	MDR1_HUMAN		16842213; 16890580; 16944963; 17120199; 17417072	"Lage H: MDR1/P-glycoprotein (ABCB1) as target for RNA interference-mediated reversal of multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):813-21.@@Gardner ER, Burger H, van Schaik RH, van Oosterom AT, de Bruijn EA, Guetens G, Prenen H, de Jong FA, Baker SD, Bates SE, Figg WD, Verweij J, Sparreboom A, Nooter K: Association of enzyme and transporter genotypes with the pharmacokinetics of imatinib. Clin Pharmacol Ther. 2006 Aug;80(2):192-201.@@Blume H, Donath F, Warnke A, Schug BS: Pharmacokinetic drug interaction profiles of proton pump inhibitors. Drug Saf. 2006;29(9):769-84. doi: 10.2165/00002018-200629090-00002.@@Gervasini G, Carrillo JA, Garcia M, San Jose C, Cabanillas A, Benitez J: Adenosine triphosphate-binding cassette B1 (ABCB1) (multidrug resistance 1) G2677T/A gene polymorphism is associated with high risk of lung cancer. Cancer. 2006 Dec 15;107(12):2850-7.@@Fukui N, Suzuki Y, Sawamura K, Sugai T, Watanabe J, Inoue Y, Someya T: Dose-dependent effects of the 3435 C>T genotype of ABCB1 gene on the steady-state plasma concentration of fluvoxamine in psychiatric patients. Ther Drug Monit. 2007 Apr;29(2):185-9."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00171	ATP	BE0001168	ABCG1	P45844	ABCG1_HUMAN		16842213; 16876126; 16902423; 17117613; 17158291	"Lage H: MDR1/P-glycoprotein (ABCB1) as target for RNA interference-mediated reversal of multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):813-21.@@Materna V, Stege A, Surowiak P, Priebsch A, Lage H: RNA interference-triggered reversal of ABCC2-dependent cisplatin resistance in human cancer cells. Biochem Biophys Res Commun. 2006 Sep 15;348(1):153-7. Epub 2006 Jul 14.@@Thomas AC, Cullup T, Norgett EE, Hill T, Barton S, Dale BA, Sprecher E, Sheridan E, Taylor AE, Wilroy RS, DeLozier C, Burrows N, Goodyear H, Fleckman P, Stephens KG, Mehta L, Watson RM, Graham R, Wolf R, Slavotinek A, Martin M, Bourn D, Mein CA, O'Toole EA, Kelsell DP: ABCA12 is the major harlequin ichthyosis gene. J Invest Dermatol. 2006 Nov;126(11):2408-13. Epub 2006 Aug 10.@@Girardin F: Membrane transporter proteins: a challenge for CNS drug development. Dialogues Clin Neurosci. 2006;8(3):311-21.@@Pinkett HW, Lee AT, Lum P, Locher KP, Rees DC: An inward-facing conformation of a putative metal-chelate-type ABC transporter. Science. 2007 Jan 19;315(5810):373-7. Epub 2006 Dec 7."	Investigational; Nutraceutical	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Supplements; Adenosine Triphosphate; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O		Glycerolipid Metabolism; Fatty Acid Metabolism; Pamidronate Action Pathway; Simvastatin Action Pathway; Citric Acid Cycle; Glutamate Metabolism; Argininosuccinic Aciduria; Gluconeogenesis; Betaine Metabolism; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Rosuvastatin Action Pathway; Propanoate Metabolism; Pentose Phosphate Pathway; Pyruvate Metabolism; Inositol Metabolism; Zoledronate Action Pathway; Glycine and Serine Metabolism; Selenoamino Acid Metabolism; Thiamine Metabolism; Pyrimidine Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Ammonia Recycling; Histidine Metabolism; Pravastatin Action Pathway; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Purine Metabolism; Fluvastatin Action Pathway; Galactose Metabolism	disease; metabolic; drug_action			46507614	D08646	PA164743471		DNC000262	Adenosine_triphosphate	CHEMBL14249	318
DB00172	Proline	BE0000188	EPRS	P07814	SYEP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00172	Proline	BE0000723	SLC6A7	Q99884	SC6A7_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00172	Proline	BE0002253	P4HA2	O15460	P4HA2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00172	Proline	BE0002334	PPIG	Q13427	PPIG_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00172	Proline	BE0002206	P3H2	Q8IVL5	P3H2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00172	Proline	BE0002337	L3HYPDH	Q96EM0	T3HPD_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Imino Acids; Proteinogenic Amino Acids; Amino Acids, Cyclic; Dietary Supplements; Amino Acids, Peptides, and Proteins"	OC(=O)[C@@H]1CCCN1		"Clomocycline Action Pathway; The Oncogenic Action of Succinate; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Rolitetracycline Action Pathway; Hyperornithinemia with Gyrate Atrophy (HOGA); Josamycin Action Pathway; Kanamycin Action Pathway; Gentamicin Action Pathway; Tobramycin Action Pathway; The Oncogenic Action of Fumarate; Azithromycin Action Pathway; Hyperprolinemia Type II; Clindamycin Action Pathway; Clarithromycin Action Pathway; L-Arginine:Glycine Amidinotransferase Deficiency; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Troleandomycin Action Pathway; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Hyperprolinemia Type I; Neomycin Action Pathway; Roxithromycin Action Pathway; Arginine and Proline Metabolism; Prolinemia Type II; Arbekacin Action Pathway; Streptomycin Action Pathway"	disease; metabolic; drug_action		9396	46506858	D00035	PA451125		DAP000198	Proline	CHEMBL54922	8737
DB00173	Adenine	BE0001128	MTAP	Q13126	MTAP_HUMAN		16631464; 17041099; 17090056	"Chow WA, Bedell V, Gaytan P, Borden E, Goldblum J, Hicks D, Slovak ML: Methylthioadenosine phosphorylase gene deletions are frequently detected by fluorescence in situ hybridization in conventional chondrosarcomas. Cancer Genet Cytogenet. 2006 Apr 15;166(2):95-100.@@Chattopadhyay S, Zhao R, Tsai E, Schramm VL, Goldman ID: The effect of a novel transition state inhibitor of methylthioadenosine phosphorylase on pemetrexed activity. Mol Cancer Ther. 2006 Oct;5(10):2549-55.@@Singh V, Schramm VL: Transition-state structure of human 5'-methylthioadenosine phosphorylase. J Am Chem Soc. 2006 Nov 15;128(45):14691-6."	Approved; Nutraceutical	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements"	NC1=C2NC=NC2=NC=N1		Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II	disease; metabolic; drug_action		5028	46507319	D00034	PA448048		DAP000982	Adenine	CHEMBL226345	290
DB00173	Adenine	BE0000702	ACACB	O00763	ACACB_HUMAN		17139284; 17016423; 8318018; 2880560; 12829626; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rasmussen JT, Rosendal J, Knudsen J: Interaction of acyl-CoA binding protein (ACBP) on processes for which acyl-CoA is a substrate, product or inhibitor. Biochem J. 1993 Jun 15;292 ( Pt 3):907-13.@@Witters LA, Mendel DB, Colliton JW: Modulation of acetyl-CoA carboxylase by inhibitors of IMP dehydrogenase: implications for insulin regulation. Arch Biochem Biophys. 1987 Jan;252(1):130-5.@@Itani SI, Saha AK, Kurowski TG, Coffin HR, Tornheim K, Ruderman NB: Glucose autoregulates its uptake in skeletal muscle: involvement of AMP-activated protein kinase. Diabetes. 2003 Jul;52(7):1635-40.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements"	NC1=C2NC=NC2=NC=N1		Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II	disease; metabolic; drug_action		5028	46507319	D00034	PA448048		DAP000982	Adenine	CHEMBL226345	290
DB00173	Adenine	BE0002791	PECR	Q9BY49	PECR_HUMAN				Approved; Nutraceutical	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements"	NC1=C2NC=NC2=NC=N1		Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II	disease; metabolic; drug_action		5028	46507319	D00034	PA448048		DAP000982	Adenine	CHEMBL226345	290
DB00173	Adenine	BE0004323	SRPK2	P78362	SRPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Supplements; Purines; Heterocyclic Compounds, Fused-Ring; UGT1A1 Inhibitors; Dietary Supplements"	NC1=C2NC=NC2=NC=N1		Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II	disease; metabolic; drug_action		5028	46507319	D00034	PA448048		DAP000982	Adenine	CHEMBL226345	290
DB00174	Asparagine	BE0009976	SLC38A1	Q969I6	S38A4_HUMAN	inhibitor	7595553	"Keep RF, Xiang J: N-system amino acid transport at the blood--CSF barrier. J Neurochem. 1995 Dec;65(6):2571-6. doi: 10.1046/j.1471-4159.1995.65062571.x."	Approved; Investigational; Nutraceutical	Asparagine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral"	N[C@@H](CC(N)=O)C(O)=O		Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46507804		PA164776968			Asparagine	CHEMBL58832	1157
DB00174	Asparagine	BE0000219	ASNS	P08243	ASNS_HUMAN		12706338; 14990305; 15574844; 16164412; 17380207	"Tesson AR, Soper TS, Ciustea M, Richards NG: Revisiting the steady state kinetic mechanism of glutamine-dependent asparagine synthetase from Escherichia coli. Arch Biochem Biophys. 2003 May 1;413(1):23-31.@@Fresquet V, Thoden JB, Holden HM, Raushel FM: Kinetic mechanism of asparagine synthetase from Vibrio cholerae. Bioorg Chem. 2004 Apr;32(2):63-75.@@Chaffei C, Pageau K, Suzuki A, Gouia H, Ghorbel MH, Masclaux-Daubresse C: Cadmium toxicity induced changes in nitrogen management in Lycopersicon esculentum leading to a metabolic safeguard through an amino acid storage strategy. Plant Cell Physiol. 2004 Nov;45(11):1681-93.@@Al Sarraj J, Vinson C, Thiel G: Regulation of asparagine synthetase gene transcription by the basic region leucine zipper transcription factors ATF5 and CHOP. Biol Chem. 2005 Sep;386(9):873-9.@@Iwamoto S, Mihara K, Downing JR, Pui CH, Campana D: Mesenchymal cells regulate the response of acute lymphoblastic leukemia cells to asparaginase. J Clin Invest. 2007 Apr;117(4):1049-57. Epub 2007 Mar 22."	Approved; Investigational; Nutraceutical	Asparagine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral"	N[C@@H](CC(N)=O)C(O)=O		Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46507804		PA164776968			Asparagine	CHEMBL58832	1157
DB00174	Asparagine	BE0000607	NARS	O43776	SYNC_HUMAN		16753178; 17380207	"Iwasaki W, Sekine S, Kuroishi C, Kuramitsu S, Shirouzu M, Yokoyama S: Structural basis of the water-assisted asparagine recognition by asparaginyl-tRNA synthetase. J Mol Biol. 2006 Jul 7;360(2):329-42. Epub 2006 May 15.@@Iwamoto S, Mihara K, Downing JR, Pui CH, Campana D: Mesenchymal cells regulate the response of acute lymphoblastic leukemia cells to asparaginase. J Clin Invest. 2007 Apr;117(4):1049-57. Epub 2007 Mar 22."	Approved; Investigational; Nutraceutical	Asparagine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Amino Acids, Basic; Proteinogenic Amino Acids; Amino Acids, Peptides, and Proteins; Dietary Supplements; Amino Acids, Diamino; Amino Acids, Neutral"	N[C@@H](CC(N)=O)C(O)=O		Clomocycline Action Pathway; Rolitetracycline Action Pathway; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Canavan Disease; Hypoacetylaspartia; Tobramycin Action Pathway; Azithromycin Action Pathway; Clarithromycin Action Pathway; Minocycline Action Pathway; Lymecycline Action Pathway; Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Aspartate Metabolism; Telithromycin Action Pathway; Ammonia Recycling; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46507804		PA164776968			Asparagine	CHEMBL58832	1157
DB00175	Pravastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	11752352; 25591572; 11298482	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ye YC, Zhao XL, Zhang SY: Use of atorvastatin in lipid disorders and cardiovascular disease in Chinese patients. Chin Med J (Engl). 2015 Jan 20;128(2):259-66. doi: 10.4103/0366-6999.149226.@@Ray SK, Rege NN: Atorvastatin: in the management of hyperlipidaemia. J Postgrad Med. 2000 Jul-Sep;46(3):242-3."	Approved	Medium-chain hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives	"OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Lipid Modifying Agents; Noxae; BCRP/ABCG2 Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Toxic Actions"	[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC		Pravastatin Action Pathway	drug_action		1201	46504851	D08410	PA451089		DAP000550	Pravastatin	CHEMBL1144	42463
DB00175	Pravastatin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	18381445	"Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807."	Approved	Medium-chain hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives	"OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Lipid Modifying Agents; Noxae; BCRP/ABCG2 Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Toxic Actions"	[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC		Pravastatin Action Pathway	drug_action		1201	46504851	D08410	PA451089		DAP000550	Pravastatin	CHEMBL1144	42463
DB00176	Fluvoxamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	11304754; 11817517; 12208313; 12695316; 15170064; 11166521; 12721776; 16316311; 18568110; 20687077	"Kakiuchi T, Tsukada H, Fukumoto D, Nishiyama S: Effects of aging on serotonin transporter availability and its response to fluvoxamine in the living brain: PET study with [(11)C](+)McN5652 and [(11)C](-)McN5652 in conscious monkeys. Synapse. 2001 Jun 1;40(3):170-9.@@Yoshida K, Ito K, Sato K, Takahashi H, Kamata M, Higuchi H, Shimizu T, Itoh K, Inoue K, Tezuka T, Suzuki T, Ohkubo T, Sugawara K, Otani K: Influence of the serotonin transporter gene-linked polymorphic region on the antidepressant response to fluvoxamine in Japanese depressed patients. Prog Neuropsychopharmacol Biol Psychiatry. 2002 Feb;26(2):383-6.@@Miolo G, Caffieri S, Levorato L, Imbesi M, Giusti P, Uz T, Manev R, Manev H: Photoisomerization of fluvoxamine generates an isomer that has reduced activity on the 5-hydroxytryptamine transporter and does not affect cell proliferation. Eur J Pharmacol. 2002 Aug 30;450(3):223-9.@@Suhara T, Takano A, Sudo Y, Ichimiya T, Inoue M, Yasuno F, Ikoma Y, Okubo Y: High levels of serotonin transporter occupancy with low-dose clomipramine in comparative occupancy study with fluvoxamine using positron emission tomography. Arch Gen Psychiatry. 2003 Apr;60(4):386-91.@@Inoue K: [Analysis and its application for prevention of side-effects of drugs and for evaluation of drug responsiveness]. Yakugaku Zasshi. 2004 Jun;124(6):293-9.@@McMahon LR, Cunningham KA: Role of 5-HT(2a) and 5-HT(2B/2C) receptors in the behavioral interactions between serotonin and catecholamine reuptake inhibitors. Neuropsychopharmacology. 2001 Mar;24(3):319-29.@@Millan MJ, Veiga S, Girardon S, Brocco M: Blockade of serotonin 5-HT1B and 5-HT2A receptors suppresses the induction of locomotor activity by 5-HT reuptake inhibitors, citalopram and fluvoxamine, in NMRI mice exposed to a novel environment: a comparison to other 5-HT receptor subtypes. Psychopharmacology (Berl). 2003 Aug;168(4):397-409. Epub 2003 Apr 30.@@Dell'Osso B, Allen A, Hollander E: Fluvoxamine: a selective serotonin re-uptake inhibitor for the treatment of obsessive-compulsive disorder. Expert Opin Pharmacother. 2005 Dec;6(15):2727-40.@@Irons J: Fluvoxamine in the treatment of anxiety disorders. Neuropsychiatr Dis Treat. 2005 Dec;1(4):289-99.@@Williams K, Wheeler DM, Silove N, Hazell P: Selective serotonin reuptake inhibitors (SSRIs) for autism spectrum disorders (ASD). Cochrane Database Syst Rev. 2010 Aug 4;(8):CD004677. doi: 10.1002/14651858.CD004677.pub2."	Approved; Investigational			"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Oximes; Serotonin Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates"	COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F					1212	46507588		PA449690		DNC000897	Fluvoxamine	CHEMBL814	42355
DB00178	Ramipril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 16398929; 11030016; 11929321	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Levitt DG, Schoemaker RC: Human physiologically based pharmacokinetic model for ACE inhibitors: ramipril and ramiprilat. BMC Clin Pharmacol. 2006 Jan 6;6:1.@@Piepho RW: Overview of the angiotensin-converting-enzyme inhibitors. Am J Health Syst Pharm. 2000 Oct 1;57 Suppl 1:S3-7.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Hypotensive Agents; Heterocyclic Compounds, Fused-Ring; Protease Inhibitors; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Cholinesterase Inhibitors; Drugs causing inadvertant photosensitivity; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Lipid Modifying Agents"	[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC		Ramipril Action Pathway; Ramipril Metabolism Pathway	drug_metabolism; drug_action		932	46506390	D00421	PA451223		DAP000581	Ramipril	CHEMBL1168	35296
DB00180	Flunisolide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	2386110; 9563368; 15285788; 9523318; 11368283; 8466638; 11752352	"Hochhaus G, Moellmann HW: Binding affinities of rimexolone (ORG 6216), flunisolide and their putative metabolites for the glucocorticoid receptor of human synovial tissue. Agents Actions. 1990 Jun;30(3-4):377-80.@@Johnson M: Development of fluticasone propionate and comparison with other inhaled corticosteroids. J Allergy Clin Immunol. 1998 Apr;101(4 Pt 2):S434-9.@@Valotis A, Hogger P: Significant receptor affinities of metabolites and a degradation product of mometasone furoate. Respir Res. 2004 Jul 22;5:7.@@Hogger P, Erpenstein U, Rohdewald P, Sorg C: Biochemical characterization of a glucocorticoid-induced membrane protein (RM3/1) in human monocytes and its application as model system for ranking glucocorticoid potency. Pharm Res. 1998 Feb;15(2):296-302.@@Badia L, Lund V: Topical corticosteroids in nasal polyposis. Drugs. 2001;61(5):573-8.@@Philibert D, Bouchoux F, Cerede E, Corallo F, Allaire JM: [Pharmacologic study of the glucocorticoid activity of flunisolide compared with other steroids in the rat]. Allerg Immunol (Paris). 1993 Feb;25(2):77-81.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnanes; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Adrenals; Corticosteroids for Systemic Use"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					2133	46507894		PA449661		DAP001046	Flunisolide	CHEMBL1512	1546428
DB00181	Baclofen	BE0002340	GABBR2	O75899	GABR2_HUMAN	agonist	15235087; 8388192; 10751439; 19303900; 10328880; 10545129; 22559224; 16182939	"Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629.@@Fu Z, Yang H, Xiao Y, Zhao G, Huang H: The gamma-aminobutyric acid type B (GABAB) receptor agonist baclofen inhibits morphine sensitization by decreasing the dopamine level in rat nucleus accumbens. Behav Brain Funct. 2012 Jul 10;8:20. doi: 10.1186/1744-9081-8-20.@@Chen K, Li HZ, Ye N, Zhang J, Wang JJ: Role of GABAB receptors in GABA and baclofen-induced inhibition of adult rat cerebellar interpositus nucleus neurons in vitro. Brain Res Bull. 2005 Oct 30;67(4):310-8. doi: 10.1016/j.brainresbull.2005.07.004."	Approved	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"GABA Agonists; GABA-B Receptor Agonists; Amino Acids, Peptides, and Proteins; Butyrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Central Nervous System Depressants; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Agents Causing Muscle Toxicity; Amino Acids; Musculo-Skeletal System; Gaba-derivative Skeletal Muscle Relaxants; Aminobutyrates; Central Nervous System Agents; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; gamma-Aminobutyric Acid-ergic Agonist"	NCC(CC(O)=O)C1=CC=C(Cl)C=C1					2104	46508181	D00241	PA448533		DAP000257	Baclofen	CHEMBL701	1292
DB00181	Baclofen	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	8388192; 10386831; 19303900; 10444662; 10482760; 10494996; 10545129; 10094428; 22559224; 16182939; 17011315	"Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Garcia-Gil L, de Miguel R, Romero J, Perez A, Ramos JA, Fernandez-Ruiz JJ: Perinatal delta9-tetrahydrocannabinol exposure augmented the magnitude of motor inhibition caused by GABA(B), but not GABA(A), receptor agonists in adult rats. Neurotoxicol Teratol. 1999 May-Jun;21(3):277-83.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Motalli R, Louvel J, Tancredi V, Kurcewicz I, Wan-Chow-Wah D, Pumain R, Avoli M: GABA(B) receptor activation promotes seizure activity in the juvenile rat hippocampus. J Neurophysiol. 1999 Aug;82(2):638-47.@@Mott DD, Li Q, Okazaki MM, Turner DA, Lewis DV: GABAB-Receptor-mediated currents in interneurons of the dentate-hilus border. J Neurophysiol. 1999 Sep;82(3):1438-50.@@Ogasawara T, Itoh Y, Tamura M, Mushiroi T, Ukai Y, Kise M, Kimura K: Involvement of cholinergic and GABAergic systems in the reversal of memory disruption by NS-105, a cognition enhancer. Pharmacol Biochem Behav. 1999 Sep;64(1):41-52.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629.@@Stringer JL, Lorenzo N: The reduction in paired-pulse inhibition in the rat hippocampus by gabapentin is independent of GABA(B) receptor receptor activation. Epilepsy Res. 1999 Feb;33(2-3):169-76.@@Fu Z, Yang H, Xiao Y, Zhao G, Huang H: The gamma-aminobutyric acid type B (GABAB) receptor agonist baclofen inhibits morphine sensitization by decreasing the dopamine level in rat nucleus accumbens. Behav Brain Funct. 2012 Jul 10;8:20. doi: 10.1186/1744-9081-8-20.@@Chen K, Li HZ, Ye N, Zhang J, Wang JJ: Role of GABAB receptors in GABA and baclofen-induced inhibition of adult rat cerebellar interpositus nucleus neurons in vitro. Brain Res Bull. 2005 Oct 30;67(4):310-8. doi: 10.1016/j.brainresbull.2005.07.004.@@Omari TI, Benninga MA, Sansom L, Butler RN, Dent J, Davidson GP: Effect of baclofen on esophagogastric motility and gastroesophageal reflux in children with gastroesophageal reflux disease: a randomized controlled trial. J Pediatr. 2006 Oct;149(4):468-74. doi: 10.1016/j.jpeds.2006.05.029."	Approved	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"GABA Agonists; GABA-B Receptor Agonists; Amino Acids, Peptides, and Proteins; Butyrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Central Nervous System Depressants; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Agents Causing Muscle Toxicity; Amino Acids; Musculo-Skeletal System; Gaba-derivative Skeletal Muscle Relaxants; Aminobutyrates; Central Nervous System Agents; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; gamma-Aminobutyric Acid-ergic Agonist"	NCC(CC(O)=O)C1=CC=C(Cl)C=C1					2104	46508181	D00241	PA448533		DAP000257	Baclofen	CHEMBL701	1292
DB00182	Amphetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	15602501; 15661631; 15764732; 15795321; 15950014; 15728379	"Lott DC, Kim SJ, Cook EH Jr, de Wit H: Dopamine transporter gene associated with diminished subjective response to amphetamine. Neuropsychopharmacology. 2005 Mar;30(3):602-9.@@Fone KC, Nutt DJ: Stimulants: use and abuse in the treatment of attention deficit hyperactivity disorder. Curr Opin Pharmacol. 2005 Feb;5(1):87-93.@@Miller GM, Verrico CD, Jassen A, Konar M, Yang H, Panas H, Bahn M, Johnson R, Madras BK: Primate trace amine receptor 1 modulation by the dopamine transporter. J Pharmacol Exp Ther. 2005 Jun;313(3):983-94. Epub 2005 Mar 11.@@Garcia BG, Wei Y, Moron JA, Lin RZ, Javitch JA, Galli A: Akt is essential for insulin modulation of amphetamine-induced human dopamine transporter cell-surface redistribution. Mol Pharmacol. 2005 Jul;68(1):102-9. Epub 2005 Mar 28.@@Madras BK, Miller GM, Fischman AJ: The dopamine transporter and attention-deficit/hyperactivity disorder. Biol Psychiatry. 2005 Jun 1;57(11):1397-409. Epub 2005 Jan 5.@@Kahlig KM, Binda F, Khoshbouei H, Blakely RD, McMahon DG, Javitch JA, Galli A: Amphetamine induces dopamine efflux through a dopamine transporter channel. Proc Natl Acad Sci U S A. 2005 Mar 1;102(9):3495-500. Epub 2005 Feb 22."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00182	Amphetamine	BE0004909	MAOA	P27338	AOFB_HUMAN	inhibitor	23539642	"Heal DJ, Smith SL, Gosden J, Nutt DJ: Amphetamine, past and present--a pharmacological and clinical perspective. J Psychopharmacol. 2013 Jun;27(6):479-96. doi: 10.1177/0269881113482532. Epub 2013 Mar 28."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00182	Amphetamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	agonist	12954796; 7700252	"Rothman RB, Vu N, Partilla JS, Roth BL, Hufeisen SJ, Compton-Toth BA, Birkes J, Young R, Glennon RA: In vitro characterization of ephedrine-related stereoisomers at biogenic amine transporters and the receptorome reveals selective actions as norepinephrine transporter substrates. J Pharmacol Exp Ther. 2003 Oct;307(1):138-45. Epub 2003 Sep 3.@@Wall SC, Gu H, Rudnick G: Biogenic amine flux mediated by cloned transporters stably expressed in cultured cell lines: amphetamine specificity for inhibition and efflux. Mol Pharmacol. 1995 Mar;47(3):544-50."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00182	Amphetamine	BE0000756	DRD2	P14416	DRD2_HUMAN	binder	1532675	"Innis RB, Malison RT, al-Tikriti M, Hoffer PB, Sybirska EH, Seibyl JP, Zoghbi SS, Baldwin RM, Laruelle M, Smith EO, et al.: Amphetamine-stimulated dopamine release competes in vivo for [123I]IBZM binding to the D2 receptor in nonhuman primates. Synapse. 1992 Mar;10(3):177-84."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00182	Amphetamine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	7059347	"Clarke DE, Lyles GA, Callingham BA: A comparison of cardiac and vascular clorgyline-resistant amine oxidase and monoamine oxidase. Inhibition by amphetamine, mexiletine and other drugs. Biochem Pharmacol. 1982 Jan 1;31(1):27-35."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00182	Amphetamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	binder	17209801	"Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Approved; Illicit; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Autonomic Agents; Amphetamines; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Catechols; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Dopamine Agents"	CC(N)CC1=CC=CC=C1					23170	46506414	D07445	PA448408		DAP001146	Amphetamine	CHEMBL405	725
DB00183	Pentagastrin	BE0001158	CCKBR	P32239	GASR_HUMAN	agonist	12073167; 15157745; 1732532; 3004700; 7491961; 11752352	"Radu D, Ahlin A, Svanborg P, Lindefors N: Anxiogenic effects of the CCK(B) agonist pentagastrin in humans and dose-dependent increase in plasma C-peptide levels. Psychopharmacology (Berl). 2002 Jun;161(4):396-403. Epub 2002 Apr 17.@@Khan S, Liberzon I, Abelson JL: Effect of repeat exposure on neuroendocrine and symptom responses to pentagastrin. Psychiatry Res. 2004 May 30;126(3):189-95.@@Makovec F, Peris W, Revel L, Giovanetti R, Mennuni L, Rovati LC: Structure-antigastrin activity relationships of new (R)-4-benzamido-5-oxopentanoic acid derivatives. J Med Chem. 1992 Jan;35(1):28-38.@@Singh P, Walker JP, Townsend CM Jr, Thompson JC: Role of gastrin and gastrin receptors on the growth of a transplantable mouse colon carcinoma (MC-26) in BALB/c mice. Cancer Res. 1986 Apr;46(4 Pt 1):1612-6.@@Nishida A, Kobayashi-Uchida A, Akuzawa S, Takinami Y, Shishido T, Kamato T, Ito H, Yamano M, Yuki H, Nagakura Y, et al.: Gastrin receptor antagonist YM022 prevents hypersecretion after long-term acid suppression. Am J Physiol. 1995 Nov;269(5 Pt 1):G699-705.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Gastrointestinal Hormones; Gastrins; Diagnostic Agents; Oligopeptides; Tests for Gastric Secretion; Peptides; Proteins; Pentagastrin, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O					2659	46507747	D01631	PA450849		DNC001170	Pentagastrin	CHEMBL1328	7993
DB00184	Nicotine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	agonist	17590520; 17613539; 17226798; 17146052; 16636791; 19560048; 11006350; 20400469; 20081230	"Espeseth T, Endestad T, Rootwelt H, Reinvang I: Nicotine receptor gene CHRNA4 modulates early event-related potentials in auditory and visual oddball target detection tasks. Neuroscience. 2007 Jul 29;147(4):974-85. Epub 2007 Jun 27.@@Winterer G, Musso F, Konrad A, Vucurevic G, Stoeter P, Sander T, Gallinat J: Association of attentional network function with exon 5 variations of the CHRNA4 gene. Hum Mol Genet. 2007 Sep 15;16(18):2165-74. Epub 2007 Jul 5.@@Ehringer MA, Clegg HV, Collins AC, Corley RP, Crowley T, Hewitt JK, Hopfer CJ, Krauter K, Lessem J, Rhee SH, Schlaepfer I, Smolen A, Stallings MC, Young SE, Zeiger JS: Association of the neuronal nicotinic receptor beta2 subunit gene (CHRNB2) with subjective responses to alcohol and nicotine. Am J Med Genet B Neuropsychiatr Genet. 2007 Jul 5;144B(5):596-604.@@Klaassen A, Glykys J, Maguire J, Labarca C, Mody I, Boulter J: Seizures and enhanced cortical GABAergic inhibition in two mouse models of human autosomal dominant nocturnal frontal lobe epilepsy. Proc Natl Acad Sci U S A. 2006 Dec 12;103(50):19152-7. Epub 2006 Dec 4.@@De Luca V, Voineskos S, Wong G, Kennedy JL: Genetic interaction between alpha4 and beta2 subunits of high affinity nicotinic receptor: analysis in schizophrenia. Exp Brain Res. 2006 Sep;174(2):292-6. Epub 2006 Apr 25.@@Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	agonist	17360707; 16754836; 19560048; 11006350; 20400469; 20081230	"Mexal S, Jenkins PM, Lautner MA, Iacob E, Crouch EL, Stitzel JA: alpha7 nicotinic receptor gene promoter polymorphisms in inbred mice affect expression in a cell type-specific fashion. J Biol Chem. 2007 May 4;282(18):13220-7. Epub 2007 Mar 14.@@Olincy A, Harris JG, Johnson LL, Pender V, Kongs S, Allensworth D, Ellis J, Zerbe GO, Leonard S, Stevens KE, Stevens JO, Martin L, Adler LE, Soti F, Kem WR, Freedman R: Proof-of-concept trial of an alpha7 nicotinic agonist in schizophrenia. Arch Gen Psychiatry. 2006 Jun;63(6):630-8.@@Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	agonist	17226798; 16636791; 19560048; 11006350; 20400469; 20081230	"Ehringer MA, Clegg HV, Collins AC, Corley RP, Crowley T, Hewitt JK, Hopfer CJ, Krauter K, Lessem J, Rhee SH, Schlaepfer I, Smolen A, Stallings MC, Young SE, Zeiger JS: Association of the neuronal nicotinic receptor beta2 subunit gene (CHRNB2) with subjective responses to alcohol and nicotine. Am J Med Genet B Neuropsychiatr Genet. 2007 Jul 5;144B(5):596-604.@@De Luca V, Voineskos S, Wong G, Kennedy JL: Genetic interaction between alpha4 and beta2 subunits of high affinity nicotinic receptor: analysis in schizophrenia. Exp Brain Res. 2006 Sep;174(2):292-6. Epub 2006 Apr 25.@@Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	agonist	19560048; 11006350; 20400469; 20081230; 15048644	"Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65.@@Sullivan PF, Neale BM, van den Oord E, Miles MF, Neale MC, Bulik CM, Joyce PR, Straub RE, Kendler KS: Candidate genes for nicotine dependence via linkage, epistasis, and bioinformatics. Am J Med Genet B Neuropsychiatr Genet. 2004 Apr 1;126B(1):23-36."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0003588	CHRNB3	Q05901	ACHB3_HUMAN	agonist	19560048; 11006350; 20400469; 20081230	"Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	agonist	19560048; 11006350; 20400469; 20081230	"Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	3711333	"Barbieri RL, Gochberg J, Ryan KJ: Nicotine, cotinine, and anabasine inhibit aromatase in human trophoblast in vitro. J Clin Invest. 1986 Jun;77(6):1727-33."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00184	Nicotine	BE0000519	CHAT	P28329	CLAT_HUMAN	inhibitor	13192619	"FAHMY AR, RYMAN BE, WALSH EO: The inhibition of choline acetylase by nicotine. J Pharm Pharmacol. 1954 Sep;6(9):607-9."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00185	Cevimeline	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	17139284; 17016423; 18450949; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Li X, Azlina A, Karabasil MR, Purwanti N, Hasegawa T, Yao C, Akamatsu T, Hosoi K: Degradation of submandibular gland AQP5 by parasympathetic denervation of chorda tympani and its recovery by cevimeline, an M3 muscarinic receptor agonist. Am J Physiol Gastrointest Liver Physiol. 2008 Jul;295(1):G112-G123. doi: 10.1152/ajpgi.00359.2007. Epub 2008 May 1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Azaspirodecane derivatives	Organic compounds; Organoheterocyclic compounds; Azaspirodecane derivatives	Cholinergic Agonists; Parasympathomimetics; Muscarinic Agonists; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Nervous System; Sulfur Compounds; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Autonomic Agents	CC1O[C@@]2(CS1)CN1CCC2CC1						46507202	D00661	PA164754754		DAP000075	Cevimeline		44281
DB00186	Lorazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	18384456; 23038269; 29950725	"Riss J, Cloyd J, Gates J, Collins S: Benzodiazepines in epilepsy: pharmacology and pharmacokinetics. Acta Neurol Scand. 2008 Aug;118(2):69-86. doi: 10.1111/j.1600-0404.2008.01004.x. Epub 2008 Mar 31.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anticonvulsants"	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2					2300	46508468	D00365	PA450267		DAP000237	Lorazepam	CHEMBL580	6470
DB00186	Lorazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anticonvulsants"	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2					2300	46508468	D00365	PA450267		DAP000237	Lorazepam	CHEMBL580	6470
DB00188	Bortezomib	BE0002348	PSMB5	P28074	PSB5_HUMAN	inhibitor	15846363; 21247388	"Berkers CR, Verdoes M, Lichtman E, Fiebiger E, Kessler BM, Anderson KC, Ploegh HL, Ovaa H, Galardy PJ: Activity probe for in vivo profiling of the specificity of proteasome inhibitor bortezomib. Nat Methods. 2005 May;2(5):357-62. Epub 2005 Apr 21.@@Chen D, Frezza M, Schmitt S, Kanwar J, Dou QP: Bortezomib as the first proteasome inhibitor anticancer drug: current status and future perspectives. Curr Cancer Drug Targets. 2011 Mar;11(3):239-53. doi: 10.2174/156800911794519752."	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Myelosuppressive Agents; QTc Prolonging Agents; Acids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Pyrazines; Hypotensive Agents; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Boron Compounds; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Boronic Acids; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Proteasome Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Acids, Noncarboxylic"	CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O					13053	46508736	D03150	PA10252		DAP001318	Bortezomib	CHEMBL325041	358258
DB00189	Ethchlorvynol	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	1585214	"Smeyatsky N, Baldwin D, Botros W, Gura R, Kurian T, Lambert MT, Patel AG, Steinert J, Priest RG: The treatment of sleep disorders. S Afr Med J. 1992 May 2;Suppl:1-8."	Approved; Illicit; Withdrawn	Ynones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Chlorohydrins; Alcohols; Nervous System; Psycholeptics	CCC(O)(\C=C\Cl)C#C					6015	46505006	D00704	PA164746383		DAP000163	Ethchlorvynol	CHEMBL591	4118
DB00190	Carbidopa	BE0002151	DDC	P20711	DDC_HUMAN	inhibitor	11752352; 10934669; 11709201; 12885750; 16184369; 17241115; 11106255	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Durso R, Evans JE, Josephs E, Szabo G, Evans B, Fernandez HH, Browne TR: Variable absorption of carbidopa affects both peripheral and central levodopa metabolism. J Clin Pharmacol. 2000 Aug;40(8):854-60.@@Yee RE, Cheng DW, Huang SC, Namavari M, Satyamurthy N, Barrio JR: Blood-brain barrier and neuronal membrane transport of 6-[18F]fluoro-L-DOPA. Biochem Pharmacol. 2001 Nov 15;62(10):1409-15.@@Kaufmann H, Saadia D, Voustianiouk A, Goldstein DS, Holmes C, Yahr MD, Nardin R, Freeman R: Norepinephrine precursor therapy in neurogenic orthostatic hypotension. Circulation. 2003 Aug 12;108(6):724-8. Epub 2003 Jul 28.@@Orlefors H, Sundin A, Lu L, Oberg K, Langstrom B, Eriksson B, Bergstrom M: Carbidopa pretreatment improves image interpretation and visualisation of carcinoid tumours with 11C-5-hydroxytryptophan positron emission tomography. Eur J Nucl Med Mol Imaging. 2006 Jan;33(1):60-5. Epub 2005 Sep 24.@@Calabrese V, Mancuso C, Ravagna A, Perluigi M, Cini C, De Marco C, Butterfield DA, Stella AM: In vivo induction of heat shock proteins in the substantia nigra following L-DOPA administration is associated with increased activity of mitochondrial complex I and nitrosative stress in rats: regulation by glutathione redox state. J Neurochem. 2007 May;101(3):709-17. Epub 2007 Jan 4.@@Gilbert JA, Frederick LM, Ames MM: The aromatic-L-amino acid decarboxylase inhibitor carbidopa is selectively cytotoxic to human pulmonary carcinoid and small cell lung carcinoma cells. Clin Cancer Res. 2000 Nov;6(11):4365-72."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	Anti-Parkinson Drugs; Amines; Catechols; Central Nervous System Agents; Enzyme Inhibitors; Biogenic Monoamines; Phenols; Biogenic Amines; Hydrazines; Catecholamines; Benzene Derivatives; Drugs that are Mainly Renally Excreted; Anti-Dyskinesia Agents; Aromatic L-amino Acid Decarboxylase Inhibitors; Aromatic Amino Acid Decarboxylase Inhibitors	C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O					2370	46508775	D00558	PA448794		DAP000592	Carbidopa	CHEMBL1201236	2019
DB00191	Phentermine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17139284; 17016423; 16119498; 7902561; 11060745	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stephens LC, Katz SG: Phentermine and anaesthesia. Anaesth Intensive Care. 2005 Aug;33(4):525-7.@@Samanin R, Garattini S: Neurochemical mechanism of action of anorectic drugs. Pharmacol Toxicol. 1993 Aug;73(2):63-8.@@Proietto J, Fam BC, Ainslie DA, Thorburn AW: Novel anti-obesity drugs. Expert Opin Investig Drugs. 2000 Jun;9(6):1317-26."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Autonomic Agents; Appetite Depressants; Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Central Nervous System Agents; Anti-Obesity Agents; Neurotransmitter Agents; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CC(C)(N)CC1=CC=CC=C1					8289	46508515	D05458	PA164748099		DAP000719	Phentermine	CHEMBL1574	221138
DB00191	Phentermine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17459426; 14675103; 16380550; 10458725; 16644904	"John CE, Jones SR: Voltammetric characterization of the effect of monoamine uptake inhibitors and releasers on dopamine and serotonin uptake in mouse caudate-putamen and substantia nigra slices. Neuropharmacology. 2007 Jun;52(8):1596-605. Epub 2007 Mar 16.@@Johnson GJ, Leis LA, Dunlop PC, Weir EK: The effect of the anorectic agent, d-fenfluramine, and its primary metabolite, d-norfenfluramine, on intact human platelet serotonin uptake and efflux. J Thromb Haemost. 2003 Dec;1(12):2663-8.@@Mekontso-Dessap A, Brouri F, Pascal O, Lechat P, Hanoun N, Lanfumey L, Seif I, Benhaiem-Sigaux N, Kirsch M, Hamon M, Adnot S, Eddahibi S: Deficiency of the 5-hydroxytryptamine transporter gene leads to cardiac fibrosis and valvulopathy in mice. Circulation. 2006 Jan 3;113(1):81-9. Epub 2005 Dec 27.@@Rothman RB, Ayestas MA, Dersch CM, Baumann MH: Aminorex, fenfluramine, and chlorphentermine are serotonin transporter substrates. Implications for primary pulmonary hypertension. Circulation. 1999 Aug 24;100(8):869-75.@@Zolkowska D, Rothman RB, Baumann MH: Amphetamine analogs increase plasma serotonin: implications for cardiac and pulmonary disease. J Pharmacol Exp Ther. 2006 Aug;318(2):604-10. Epub 2006 Apr 27."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Autonomic Agents; Appetite Depressants; Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Central Nervous System Agents; Anti-Obesity Agents; Neurotransmitter Agents; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CC(C)(N)CC1=CC=CC=C1					8289	46508515	D05458	PA164748099		DAP000719	Phentermine	CHEMBL1574	221138
DB00191	Phentermine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	17459426; 19928382	"John CE, Jones SR: Voltammetric characterization of the effect of monoamine uptake inhibitors and releasers on dopamine and serotonin uptake in mouse caudate-putamen and substantia nigra slices. Neuropharmacology. 2007 Jun;52(8):1596-605. Epub 2007 Mar 16.@@Gruner JA, Marcy VR, Lin YG, Bozyczko-Coyne D, Marino MJ, Gasior M: The roles of dopamine transport inhibition and dopamine release facilitation in wake enhancement and rebound hypersomnolence induced by dopaminergic agents. Sleep. 2009 Nov;32(11):1425-38."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Autonomic Agents; Appetite Depressants; Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Central Nervous System Agents; Anti-Obesity Agents; Neurotransmitter Agents; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CC(C)(N)CC1=CC=CC=C1					8289	46508515	D05458	PA164748099		DAP000719	Phentermine	CHEMBL1574	221138
DB00191	Phentermine	BE0002196	MAOB	P27338	AOFB_HUMAN	antagonist	10218558; 10231134; 10799660; 11673765; 11911838	"Rothman RB: Does phentermine inhibit monoamine oxidase? Lancet. 1999 Apr 17;353(9161):1362-3.@@Rothman RB: Is phentermine an inhibitor of monoamine oxidase? A critical appraisal. Synapse. 1999 May;32(2):141-5.@@Ulus IH, Maher TJ, Wurtman RJ: Characterization of phentermine and related compounds as monoamine oxidase (MAO) inhibitors. Biochem Pharmacol. 2000 Jun 15;59(12):1611-21.@@Kilpatrick IC, Traut M, Heal DJ: Monoamine oxidase inhibition is unlikely to be relevant to the risks associated with phentermine and fenfluramine: a comparison with their abilities to evoke monoamine release. Int J Obes Relat Metab Disord. 2001 Oct;25(10):1454-8.@@Nandigama RK, Newton-Vinson P, Edmondson DE: Phentermine inhibition of recombinant human liver monoamine oxidases A and B. Biochem Pharmacol. 2002 Mar 1;63(5):865-9."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Autonomic Agents; Appetite Depressants; Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Central Nervous System Agents; Anti-Obesity Agents; Neurotransmitter Agents; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CC(C)(N)CC1=CC=CC=C1					8289	46508515	D05458	PA164748099		DAP000719	Phentermine	CHEMBL1574	221138
DB00192	Indecainide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 11752352; 2688391; 2476626; 6206315	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jaillon P, Drici M: Recent antiarrhythmic drugs. Am J Cardiol. 1989 Dec 5;64(20):65J-69J.@@Holland DR, Lacefield WB, Gonzales CR, Johnston SR, Turk JA: Indecainide: effects on arrhythmias, electrophysiology, and cardiovascular dynamics. J Cardiovasc Pharmacol. 1989 Sep;14(3):454-61.@@Steinberg MI, Wiest SA: Electrophysiological studies of indecainide hydrochloride, a new antiarrhythmic agent, in canine cardiac tissues. J Cardiovasc Pharmacol. 1984 Jul-Aug;6(4):614-21."	Approved	Fluorenes	Organic compounds; Benzenoids; Fluorenes		CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12						46506714		PA164754881		DAP000503	Indecainide	CHEMBL1201242	
DB00193	Tramadol	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11916794; 11752352; 19341511; 8955860; 31004280	"Sagata K, Minami K, Yanagihara N, Shiraishi M, Toyohira Y, Ueno S, Shigematsu A: Tramadol inhibits norepinephrine transporter function at desipramine-binding sites in cultured bovine adrenal medullary cells. Anesth Analg. 2002 Apr;94(4):901-6, table of contents.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berrocoso E, Mico JA: Cooperative opioid and serotonergic mechanisms generate superior antidepressant-like effects in a mice model of depression. Int J Neuropsychopharmacol. 2009 Sep;12(8):1033-44. doi: 10.1017/S1461145709000236. Epub 2009 Apr 3.@@Frink MC, Hennies HH, Englberger W, Haurand M, Wilffert B: Influence of tramadol on neurotransmitter systems of the rat brain. Arzneimittelforschung. 1996 Nov;46(11):1029-36.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	16427041; 1596676; 8955860; 31004280	"Barann M, Urban B, Stamer U, Dorner Z, Bonisch H, Bruss M: Effects of tramadol and O-demethyl-tramadol on human 5-HT reuptake carriers and human 5-HT3A receptors: a possible mechanism for tramadol-induced early emesis. Eur J Pharmacol. 2006 Feb 15;531(1-3):54-8. Epub 2006 Jan 19.@@Driessen B, Reimann W: Interaction of the central analgesic, tramadol, with the uptake and release of 5-hydroxytryptamine in the rat brain in vitro. Br J Pharmacol. 1992 Jan;105(1):147-51.@@Frink MC, Hennies HH, Englberger W, Haurand M, Wilffert B: Influence of tramadol on neurotransmitter systems of the rat brain. Arzneimittelforschung. 1996 Nov;46(11):1029-36.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	inhibitor	16949748; 31004280	"Haeseler G, Foadi N, Ahrens J, Dengler R, Hecker H, Leuwer M: Tramadol, fentanyl and sufentanil but not morphine block voltage-operated sodium channels. Pain. 2006 Dec 15;126(1-3):234-44. doi: 10.1016/j.pain.2006.07.003. Epub 2006 Sep 1.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000013	ADORA1	P30542	AA1R_HUMAN	agonist	23872384; 31004280; 33932698	"Sawynok J, Reid AR, Liu J: Spinal and peripheral adenosine A(1) receptors contribute to antinociception by tramadol in the formalin test in mice. Eur J Pharmacol. 2013 Aug 15;714(1-3):373-8. doi: 10.1016/j.ejphar.2013.07.012. Epub 2013 Jul 16.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5.@@Abdalla HB, Napimoga MH, de Macedo Maganin AG, Lopes AH, Cunha TM, Gill HS, Clemente-Napimoga JT: The role of adenosine A1 receptor in the peripheral tramadol's effect in the temporomandibular joint of rats. Int Immunopharmacol. 2021 Aug;97:107680. doi: 10.1016/j.intimp.2021.107680. Epub 2021 Apr 28."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	15105221; 16679816	"Ogata J, Minami K, Uezono Y, Okamoto T, Shiraishi M, Shigematsu A, Ueta Y: The inhibitory effects of tramadol on 5-hydroxytryptamine type 2C receptors expressed in Xenopus oocytes. Anesth Analg. 2004 May;98(5):1401-6, table of contents.@@Horishita T, Minami K, Uezono Y, Shiraishi M, Ogata J, Okamoto T, Shigematsu A: The tramadol metabolite, O-desmethyl tramadol, inhibits 5-hydroxytryptamine type 2C receptors expressed in Xenopus Oocytes. Pharmacology. 2006;77(2):93-9. Epub 2006 May 5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	12570923; 31004280	"Sun HL, Zheng JW, Wang K, Liu RK, Liang JH: Tramadol reduces the 5-HTP-induced head-twitch response in mice via the activation of mu and kappa opioid receptors. Life Sci. 2003 Jan 31;72(11):1221-30.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	12010769; 31004280	"Shiraishi M, Minami K, Uezono Y, Yanagihara N, Shigematsu A, Shibuya I: Inhibitory effects of tramadol on nicotinic acetylcholine receptors in adrenal chromaffin cells and in Xenopus oocytes expressing alpha 7 receptors. Br J Pharmacol. 2002 May;136(2):207-16.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11561087; 12401609; 31004280	"Shiraishi M, Minami K, Uezono Y, Yanagihara N, Shigematsu A: Inhibition by tramadol of muscarinic receptor-induced responses in cultured adrenal medullary cells and in Xenopus laevis oocytes expressing cloned M1 receptors. J Pharmacol Exp Ther. 2001 Oct;299(1):255-60.@@Shiga Y, Minami K, Shiraishi M, Uezono Y, Murasaki O, Kaibara M, Shigematsu A: The inhibitory effects of tramadol on muscarinic receptor-induced responses in Xenopus oocytes expressing cloned M(3) receptors. Anesth Analg. 2002 Nov;95(5):1269-73, table of contents.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0000384	TACR1	P25103	NK1R_HUMAN	inhibitor	31004280	Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5.	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00193	Tramadol	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	18499628; 31004280	"Marincsak R, Toth BI, Czifra G, Szabo T, Kovacs L, Biro T: The analgesic drug, tramadol, acts as an agonist of the transient receptor potential vanilloid-1. Anesth Analg. 2008 Jun;106(6):1890-6. doi: 10.1213/ane.0b013e318172fefc.@@Barakat A: Revisiting Tramadol: A Multi-Modal Agent for Pain Management. CNS Drugs. 2019 May;33(5):481-501. doi: 10.1007/s40263-019-00623-5."	Approved; Investigational			Sensory System Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin Receptor Antagonists; Cyclohexanols; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alcohols; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; Dimethylamines; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Central Nervous System Agents; UGT1A1 Substrates; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Opioids	COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C		Tramadol Metabolism Pathway; Tramadol Action Action Pathway	drug_metabolism; drug_action		13904	46506256	D08623	PA451735		DAP000140	Tramadol	CHEMBL1237044	10689
DB00197	Troglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	10076568; 10097144; 10200320; 10214942; 10222233; 11752352; 12475986; 11278336	"Kitamura S, Miyazaki Y, Shinomura Y, Kondo S, Kanayama S, Matsuzawa Y: Peroxisome proliferator-activated receptor gamma induces growth arrest and differentiation markers of human colon cancer cells. Jpn J Cancer Res. 1999 Jan;90(1):75-80.@@Demetri GD, Fletcher CD, Mueller E, Sarraf P, Naujoks R, Campbell N, Spiegelman BM, Singer S: Induction of solid tumor differentiation by the peroxisome proliferator-activated receptor-gamma ligand troglitazone in patients with liposarcoma. Proc Natl Acad Sci U S A. 1999 Mar 30;96(7):3951-6.@@Petrova TV, Akama KT, Van Eldik LJ: Cyclopentenone prostaglandins suppress activation of microglia: down-regulation of inducible nitric-oxide synthase by 15-deoxy-Delta12,14-prostaglandin J2. Proc Natl Acad Sci U S A. 1999 Apr 13;96(8):4668-73.@@Camp HS, Whitton AL, Tafuri SR: PPARgamma activators down-regulate the expression of PPARgamma in 3T3-L1 adipocytes. FEBS Lett. 1999 Mar 26;447(2-3):186-90.@@Satoh T, Furuta K, Suzuki M, Watanabe Y: Prostaglandin J2 and its metabolites promote neurite outgrowth induced by nerve growth factor in PC12 cells. Biochem Biophys Res Commun. 1999 Apr 29;258(1):50-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Baek SJ, Wilson LC, Hsi LC, Eling TE: Troglitazone, a peroxisome proliferator-activated receptor gamma (PPAR gamma ) ligand, selectively induces the early growth response-1 gene independently of PPAR gamma. A novel mechanism for its anti-tumorigenic activity. J Biol Chem. 2003 Feb 21;278(8):5845-53. Epub 2002 Dec 9.@@Subbaramaiah K, Lin DT, Hart JC, Dannenberg AJ: Peroxisome proliferator-activated receptor gamma ligands suppress the transcriptional activation of cyclooxygenase-2. Evidence for involvement of activator protein-1 and CREB-binding protein/p300. J Biol Chem. 2001 Apr 13;276(15):12440-8. Epub 2001 Jan 23."	Approved; Investigational; Withdrawn	1-benzopyrans	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate"	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O						46504655	D00395	PA451799		DAP001337	Troglitazone	CHEMBL408	72610
DB00197	Troglitazone	BE0002088	ESRRG	P62508	ERR3_HUMAN	inverse agonist	20298676	"Wang Y, Fang F, Wong CW: Troglitazone is an estrogen-related receptor alpha and gamma inverse agonist. Biochem Pharmacol. 2010 Jul 1;80(1):80-5. doi: 10.1016/j.bcp.2010.03.013. Epub 2010 Mar 16."	Approved; Investigational; Withdrawn	1-benzopyrans	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate"	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O						46504655	D00395	PA451799		DAP001337	Troglitazone	CHEMBL408	72610
DB00197	Troglitazone	BE0001007	PPARD	Q03181	PPARD_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Approved; Investigational; Withdrawn	1-benzopyrans	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate"	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O						46504655	D00395	PA451799		DAP001337	Troglitazone	CHEMBL408	72610
DB00197	Troglitazone	BE0000071	PPARA	Q07869	PPARA_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Approved; Investigational; Withdrawn	1-benzopyrans	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate"	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O						46504655	D00395	PA451799		DAP001337	Troglitazone	CHEMBL408	72610
DB00197	Troglitazone	BE0000996	ACSL4	O60488	ACSL4_HUMAN	inhibitor	11319222; 12147264; 11319232	"Kim JH, Lewin TM, Coleman RA: Expression and characterization of recombinant rat Acyl-CoA synthetases 1, 4, and 5. Selective inhibition by triacsin C and thiazolidinediones. J Biol Chem. 2001 Jul 6;276(27):24667-73. Epub 2001 Apr 23.@@Lewin TM, Van Horn CG, Krisans SK, Coleman RA: Rat liver acyl-CoA synthetase 4 is a peripheral-membrane protein located in two distinct subcellular organelles, peroxisomes, and mitochondrial-associated membrane. Arch Biochem Biophys. 2002 Aug 15;404(2):263-70.@@Lewin TM, Kim JH, Granger DA, Vance JE, Coleman RA: Acyl-CoA synthetase isoforms 1, 4, and 5 are present in different subcellular membranes in rat liver and can be inhibited independently. J Biol Chem. 2001 Jul 6;276(27):24674-9. Epub 2001 Apr 23."	Approved; Investigational; Withdrawn	1-benzopyrans	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT1A6 Inhibitors; UGT2B7 substrates; Benzopyrans; Thiazolidinediones; Cytochrome P-450 CYP3A5 Inhibitors; Pyrans; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Chromans; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; UGT1A6 substrate"	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O						46504655	D00395	PA451799		DAP001337	Troglitazone	CHEMBL408	72610
DB00200	Hydroxocobalamin	BE0000734	MTR	Q99707	METH_HUMAN	cofactor	1744096; 9587031; 18565; 7599160; 3812589	"Kolhouse JF, Utley C, Stabler SP, Allen RH: Mechanism of conversion of human apo- to holomethionine synthase by various forms of cobalamin. J Biol Chem. 1991 Dec 5;266(34):23010-5.@@Ogier de Baulny H, Gerard M, Saudubray JM, Zittoun J: Remethylation defects: guidelines for clinical diagnosis and treatment. Eur J Pediatr. 1998 Apr;157 Suppl 2:S77-83.@@Tkachuck RD, Weinstein PP, Mueller JF: Metabolic fate of cyanocobalamin taken up by Spirometra mansonoides spargana. J Parasitol. 1977 Aug;63(4):694-700.@@Quadros EV, Jacobsen DW: The dynamics of cobalamin utilization in L-1210 mouse leukemia cells: a model of cellular cobalamin metabolism. Biochim Biophys Acta. 1995 Jun 9;1244(2-3):395-403.@@Rosenblatt DS, Thomas IT, Watkins D, Cooper BA, Erbe RW: Vitamin B12 responsive homocystinuria and megaloblastic anemia: heterogeneity in methylcobalamin deficiency. Am J Med Genet. 1987 Feb;26(2):377-83."	Approved	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]					4971	46505751	D01027	PA164768689		DAP001336	Hydroxocobalamin	CHEMBL2103737	5514
DB00200	Hydroxocobalamin	BE0000320	MMAA	Q8IVH4	MMAA_HUMAN	other/unknown	20301409	"Manoli I, Sloan JL, Venditti CP: Isolated Methylmalonic Acidemia ."	Approved	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]					4971	46505751	D01027	PA164768689		DAP001336	Hydroxocobalamin	CHEMBL2103737	5514
DB00200	Hydroxocobalamin	BE0000238	TCN1	P20061	TCO1_HUMAN	other	844253; 6726060	"MacDonald CM, Farquharson J, Bessent RG, Adams JF: The forms of vitamin B12 on the transcobalamins. Clin Sci Mol Med. 1977 Feb;52(2):215-8.@@Rothenberg SP, Marcoullis GP, Schwarz S, Lader E: Measurement of cyanocobalamin in serum by a specific radioimmunoassay. J Lab Clin Med. 1984 Jun;103(6):959-72."	Approved	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]					4971	46505751	D01027	PA164768689		DAP001336	Hydroxocobalamin	CHEMBL2103737	5514
DB00200	Hydroxocobalamin	BE0000936	CUBN	O60494	CUBN_HUMAN	other	17139284; 17016423; 14585166	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Seetharam B, Yammani RR: Cobalamin transport proteins and their cell-surface receptors. Expert Rev Mol Med. 2003 Jun 13;5(18):1-18."	Approved	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]					4971	46505751	D01027	PA164768689		DAP001336	Hydroxocobalamin	CHEMBL2103737	5514
DB00200	Hydroxocobalamin	BE0002175	MMACHC	Q9Y4U1	MMAC_HUMAN	other/unknown	17139284; 17016423; 16311595	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lerner-Ellis JP, Tirone JC, Pawelek PD, Dore C, Atkinson JL, Watkins D, Morel CF, Fujiwara TM, Moras E, Hosack AR, Dunbar GV, Antonicka H, Forgetta V, Dobson CM, Leclerc D, Gravel RA, Shoubridge EA, Coulton JW, Lepage P, Rommens JM, Morgan K, Rosenblatt DS: Identification of the gene responsible for methylmalonic aciduria and homocystinuria, cblC type. Nat Genet. 2006 Jan;38(1):93-100. Epub 2005 Nov 27."	Approved	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Corrinoids; Antidotes; Antianemic Preparations; Heterocyclic Compounds, Fused-Ring; Vitamin B Complex; Blood and Blood Forming Organs; Hematinics; Hematologic Agents; Nutritional Support; Drugs that are Mainly Renally Excreted; Vitamin B12 and Folic Acid; Micronutrients"	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]					4971	46505751	D01027	PA164768689		DAP001336	Hydroxocobalamin	CHEMBL2103737	5514
DB00201	Caffeine	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	16702031; 17372967; 17126319; 17162470; 17085856	"Gaytan SP, Saadani-Makki F, Bodineau L, Frugiere A, Larnicol N, Pasaro R: Effect of postnatal exposure to caffeine on the pattern of adenosine A1 receptor distribution in respiration-related nuclei of the rat brainstem. Auton Neurosci. 2006 Jun 30;126-127:339-46. Epub 2006 May 15.@@Wang SJ: Caffeine facilitation of glutamate release from rat cerebral cortex nerve terminals (synaptosomes) through activation protein kinase C pathway: an interaction with presynaptic adenosine A1 receptors. Synapse. 2007 Jun;61(6):401-11.@@Rieg T, Schnermann J, Vallon V: Adenosine A1 receptors determine effects of caffeine on total fluid intake but not caffeine appetite. Eur J Pharmacol. 2007 Jan 26;555(2-3):174-7. Epub 2006 Oct 25.@@Mustafa S, Venkatesh P, Pasha K, Mullangi R, Srinivas NR: Altered intravenous pharmacokinetics of topotecan in rats with acute renal failure (ARF) induced by uranyl nitrate: do adenosine A1 antagonists (selective/non-selective) normalize the altered topotecan kinetics in ARF? Xenobiotica. 2006 Dec;36(12):1239-58.@@Listos J, Malec D, Fidecka S: Adenosine receptor antagonists intensify the benzodiazepine withdrawal signs in mice. Pharmacol Rep. 2006 Sep-Oct;58(5):643-51."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0000241	ADORA2B	P29275	AA2BR_HUMAN	antagonist	20164566	"Ribeiro JA, Sebastiao AM: Caffeine and adenosine. J Alzheimers Dis. 2010;20 Suppl 1:S3-15. doi: 10.3233/JAD-2010-1379."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0009789	PDE1B	O76074	PDE5A_HUMAN	inhibitor	16402111; 7689104	"Boswell-Smith V, Spina D, Page CP: Phosphodiesterase inhibitors. Br J Pharmacol. 2006 Jan;147 Suppl 1:S252-7. doi: 10.1038/sj.bjp.0706495.@@Howell LL: Comparative effects of caffeine and selective phosphodiesterase inhibitors on respiration and behavior in rhesus monkeys. J Pharmacol Exp Ther. 1993 Aug;266(2):894-903."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 17514358	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0000739	RYR1	P21817	RYR1_HUMAN		17514358	Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69.	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0004922	PDE1A	P35913	PDE6B_HUMAN	inhibitor	20164566; 11692087	"Ribeiro JA, Sebastiao AM: Caffeine and adenosine. J Alzheimers Dis. 2010;20 Suppl 1:S3-15. doi: 10.3233/JAD-2010-1379.@@Essayan DM: Cyclic nucleotide phosphodiesterases. J Allergy Clin Immunol. 2001 Nov;108(5):671-80."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0002385	PRKDC	P78527	PRKDC_HUMAN	inhibitor	12145276	"Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	12145276	"Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0002379	PIK3CA	P42336	PK3CA_HUMAN	inhibitor	12145276	"Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0002407	PIK3CB	P42338	PK3CB_HUMAN	inhibitor	12145276	"Foukas LC, Daniele N, Ktori C, Anderson KE, Jensen J, Shepherd PR: Direct effects of caffeine and theophylline on p110 delta and other phosphoinositide 3-kinases. Differential effects on lipid kinase and protein kinase activities. J Biol Chem. 2002 Oct 4;277(40):37124-30. Epub 2002 Jul 26."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00201	Caffeine	BE0004874	ATM	Q13315	ATM_HUMAN	inhibitor	10485486; 10531013	"Sarkaria JN, Busby EC, Tibbetts RS, Roos P, Taya Y, Karnitz LM, Abraham RT: Inhibition of ATM and ATR kinase activities by the radiosensitizing agent, caffeine. Cancer Res. 1999 Sep 1;59(17):4375-82.@@Blasina A, Price BD, Turenne GA, McGowan CH: Caffeine inhibits the checkpoint kinase ATM. Curr Biol. 1999 Oct 7;9(19):1135-8."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory and CNS Stimulants; Purines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Central Nervous System Stimulants; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs for Obstructive Airway Diseases; Purinergic Agents; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Heterocyclic Compounds, Fused-Ring; Purinones; Cytochrome P-450 CYP3A4 Substrates; Caffeine and Caffeine Containing Products; Xanthine derivatives; Phosphodiesterase Inhibitors; Anorexigenic Agents & Respiratory and CNS Stimulants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tricarboxylic Acids; Neurotransmitter Agents; Nervous System; Central Nervous System Stimulation; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	CN1C=NC2=C1C(=O)N(C)C(=O)N2C		Caffeine Metabolism	metabolic		9357	46506408	D00528	PA448710		DAP000099	Caffeine	CHEMBL113	1886
DB00202	Succinylcholine	BE0009927	CHRNA10	P30926	ACHB4_HUMAN	agonist	26398623	"Alvarellos ML, McDonagh EM, Patel S, McLeod HL, Altman RB, Klein TE: PharmGKB summary: succinylcholine pathway, pharmacokinetics/pharmacodynamics. Pharmacogenet Genomics. 2015 Dec;25(12):622-30. doi: 10.1097/FPC.0000000000000170."	Approved	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Succinates; Amines; Trimethyl Ammonium Compounds; Neuromuscular Depolarizing Agents; Neuromuscular Blocking Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Musculo-Skeletal System; Dicarboxylic Acids; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Neurotoxic agents; Neuromuscular Depolarizing Blockade; Neuromuscular Agents; Cholinesterase substrates; Ammonium Compounds; Ethanolamines; Muscle Relaxants, Peripherally Acting Agents; Choline Derivatives"	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C					8833	46506023		PA451522		DAP001132	Suxamethonium_chloride	CHEMBL703	10154
DB00202	Succinylcholine	BE0000560	CHRM2	P08172	ACM2_HUMAN	agonist	9523819	"Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50."	Approved	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Succinates; Amines; Trimethyl Ammonium Compounds; Neuromuscular Depolarizing Agents; Neuromuscular Blocking Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Musculo-Skeletal System; Dicarboxylic Acids; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Neurotoxic agents; Neuromuscular Depolarizing Blockade; Neuromuscular Agents; Cholinesterase substrates; Ammonium Compounds; Ethanolamines; Muscle Relaxants, Peripherally Acting Agents; Choline Derivatives"	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C					8833	46506023		PA451522		DAP001132	Suxamethonium_chloride	CHEMBL703	10154
DB00202	Succinylcholine	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	9523819	"Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50."	Approved	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Succinates; Amines; Trimethyl Ammonium Compounds; Neuromuscular Depolarizing Agents; Neuromuscular Blocking Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Musculo-Skeletal System; Dicarboxylic Acids; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Neurotoxic agents; Neuromuscular Depolarizing Blockade; Neuromuscular Agents; Cholinesterase substrates; Ammonium Compounds; Ethanolamines; Muscle Relaxants, Peripherally Acting Agents; Choline Derivatives"	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C					8833	46506023		PA451522		DAP001132	Suxamethonium_chloride	CHEMBL703	10154
DB00203	Sildenafil	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	12614192; 11752352; 12414329; 12477710; 12554648; 16735511; 17959709; 12567500; 17979301	"Carson CC: Long-term use of sildenafil. Expert Opin Pharmacother. 2003 Mar;4(3):397-405.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Corbin JD, Francis SH, Webb DJ: Phosphodiesterase type 5 as a pharmacologic target in erectile dysfunction. Urology. 2002 Sep;60(2 Suppl 2):4-11.@@Kruuse C, Thomsen LL, Birk S, Olesen J: Migraine can be induced by sildenafil without changes in middle cerebral artery diameter. Brain. 2003 Jan;126(Pt 1):241-7.@@Rybalkin SD, Rybalkina IG, Shimizu-Albergine M, Tang XB, Beavo JA: PDE5 is converted to an activated state upon cGMP binding to the GAF A domain. EMBO J. 2003 Feb 3;22(3):469-78.@@Wang H, Liu Y, Huai Q, Cai J, Zoraghi R, Francis SH, Corbin JD, Robinson H, Xin Z, Lin G, Ke H: Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development. J Biol Chem. 2006 Jul 28;281(30):21469-79. Epub 2006 May 30.@@Wang H, Ye M, Robinson H, Francis SH, Ke H: Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol Pharmacol. 2008 Jan;73(1):104-10. Epub 2007 Oct 24.@@Wang J, Re J, Wang Z: [Mode of action of sildenafil]. Zhongguo Yi Xue Ke Xue Yuan Xue Bao. 1999 Dec;21(6):493-6.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction"	CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1					11854	46508371	D08514	PA451346		DAP000614	Sildenafil	CHEMBL192	136411
DB00203	Sildenafil	BE0003556	PDE6G	P18545	CNRG_HUMAN	inhibitor	16815627	"Uckert S, Hedlund P, Andersson KE, Truss MC, Jonas U, Stief CG: Update on phosphodiesterase (PDE) isoenzymes as pharmacologic targets in urology: present and future. Eur Urol. 2006 Dec;50(6):1194-207; discussion 1207. Epub 2006 Jun 6."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction"	CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1					11854	46508371	D08514	PA451346		DAP000614	Sildenafil	CHEMBL192	136411
DB00203	Sildenafil	BE0000404	ODC1	P11926	DCOR_HUMAN	downregulator	28812434	"Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction"	CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1					11854	46508371	D08514	PA451346		DAP000614	Sildenafil	CHEMBL192	136411
DB00203	Sildenafil	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	downregulator	28812434	"Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OATP1B1/SLCO1B1 Inhibitors; Purines; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Sulfonamides; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Erectile Dysfunction"	CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1					11854	46508371	D08514	PA451346		DAP000614	Sildenafil	CHEMBL192	136411
DB00204	Dofetilide	BE0000210	KCNK2	O95069	KCNK2_HUMAN	inhibitor	17139284; 17016423; 17187453	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Roukoz H, Saliba W: Dofetilide: a new class III antiarrhythmic agent. Expert Rev Cardiovasc Ther. 2007 Jan;5(1):9-19."	Approved; Investigational	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; OCT2 Substrates; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Membrane Transport Modulators; OCT2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Ethylamines; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Antiarrhythmics, Class III"	CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1						46509127	D00647	PA449389		DAP000495	Dofetilide	CHEMBL473	49247
DB00205	Pyrimethamine	BE0000330	DHFR	P00374	DYR_HUMAN	inhibitor	12951104; 9380737; 9108546; 11752352	"Rastelli G, Pacchioni S, Parenti MD: Structure of Plasmodium vivax dihydrofolate reductase determined by homology modeling and molecular dynamics refinement. Bioorg Med Chem Lett. 2003 Oct 6;13(19):3257-60.@@Fidock DA, Wellems TE: Transformation with human dihydrofolate reductase renders malaria parasites insensitive to WR99210 but does not affect the intrinsic activity of proguanil. Proc Natl Acad Sci U S A. 1997 Sep 30;94(20):10931-6.@@Wooden JM, Hartwell LH, Vasquez B, Sibley CH: Analysis in yeast of antimalaria drugs that target the dihydrofolate reductase of Plasmodium falciparum. Mol Biochem Parasitol. 1997 Mar;85(1):25-40.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Aminopyrimidines and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 CYP2C8 Inhibitors; Anti-Infective Agents; MATE 2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Pyrimidines; MATE 1 Inhibitors; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP2C8 Inhibitors (weak); Folic Acid Antagonists; Antimalarial diaminopyrimidines; MATE inhibitors; Antiparasitic Agents"	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1					5918	46505987	D00488	PA451193		DAP000633	Pyrimethamine	CHEMBL36	9010
DB00206	Reserpine	BE0004674	SLC18A1	P54219	VMAT1_HUMAN	inhibitor	21712771	"Ashe KM, Chiu WL, Khalifa AM, Nicolas AN, Brown BL, De Martino RR, Alexander CP, Waggener CT, Fischer-Stenger K, Stewart JK: Vesicular monoamine transporter-1 (VMAT-1) mRNA and immunoreactive proteins in mouse brain. Neuro Endocrinol Lett. 2011;32(3):253-8."	Approved; Investigational; Withdrawn	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Decreased Sympathetic Activity; Antiadrenergic Agents, Centrally Acting; Indolizidines; Antihypertensive Agents; P-glycoprotein inducers; Neurotransmitter Uptake Inhibitors; Indoles; Antidepressive Agents; OCT2 Substrates; Hypotensive Agents; Antipsychotic Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Alkaloids; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Gastrointestinal Acidifying Agents; Neurotoxic agents; Catecholamine-depleting Sympatholytic; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Adrenergic Agents; Indolizines"	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2					9025	46505863	D00197	PA451236		DAP000755	Reserpine	CHEMBL772	9260
DB00207	Azithromycin	BE0001092	PADI4	Q9UM07	PADI4_HUMAN	inhibitor	17964793	"Knuckley B, Luo Y, Thompson PR: Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem. 2008 Jan 15;16(2):739-45. Epub 2007 Oct 13."	Approved	Aminoglycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Macrolide Antimicrobial; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Lactones; Macrolides, Lincosamides and Streptogramins; Antibacterials for Systemic Use; Polyketides; Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Ophthalmologicals; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O		Azithromycin Action Pathway	drug_action		20613	46507743		PA448519		DNC001539	Azithromycin	CHEMBL529	1299904
DB00208	Ticlopidine	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	11454254; 15816504; 15955565; 17110146; 11752352	"Storey RF: The P2Y12 receptor as a therapeutic target in cardiovascular disease. Platelets. 2001 Jun;12(4):197-209.@@Boeynaems JM, van Giezen H, Savi P, Herbert JM: P2Y receptor antagonists in thrombosis. Curr Opin Investig Drugs. 2005 Mar;6(3):275-82.@@Gachet C: The platelet P2 receptors as molecular targets for old and new antiplatelet drugs. Pharmacol Ther. 2005 Nov;108(2):180-92. Epub 2005 Jun 13.@@Zhan C, Yang J, Dong XC, Wang YL: Molecular modeling of purinergic receptor P2Y12 and interaction with its antagonists. J Mol Graph Model. 2007 Jul;26(1):20-31. Epub 2006 Sep 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Thienopyridines	Organic compounds; Organoheterocyclic compounds; Thienopyridines	"Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Thienopyridines; Pyridines; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted; Purinergic Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (weak); Purinergic P2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Decreased Platelet Aggregation; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Neurotransmitter Agents; Sulfur Compounds; Thiophenes; Fibrin Modulating Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Purinergic Antagonists"	ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2		Ticlopidine Action Pathway; Ticlopidine Metabolism Pathway	drug_metabolism; drug_action		945	46504438	D08594	PA451686		DAP000723	Ticlopidine	CHEMBL833	10594
DB00209	Trospium	BE0000045	CHRM3	P20309	ACM3_HUMAN		17637888	Hesch K: Agents for treatment of overactive bladder: a therapeutic class review. Proc (Bayl Univ Med Cent). 2007 Jul;20(3):307-14.	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Urological Agents; Phenylacetates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Acids, Carbocyclic; Urologicals; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents"	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1					17368	46506398	D01103	PA164748976		DAP000342	Trospium_chloride	CHEMBL1888176	236778
DB00210	Adapalene	BE0000206	RARB	P10826	RARB_HUMAN	agonist	9204085; 19929446; 31273085; 10651997	"Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2					224	46505019	D01112	PA448047		DAP000115	Adapalene	CHEMBL1265	60223
DB00210	Adapalene	BE0000144	RARG	P13631	RARG_HUMAN	agonist	9204085; 19929446; 31273085; 10651997	"Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2					224	46505019	D01112	PA448047		DAP000115	Adapalene	CHEMBL1265	60223
DB00210	Adapalene	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	9204085; 19929446; 31273085; 10651997	"Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2					224	46505019	D01112	PA448047		DAP000115	Adapalene	CHEMBL1265	60223
DB00210	Adapalene	BE0001164	TLR2	O60603	TLR2_HUMAN	antagonist	17518990; 26947815	"Tenaud I, Khammari A, Dreno B: In vitro modulation of TLR-2, CD1d and IL-10 by adapalene on normal human skin and acne inflammatory lesions. Exp Dermatol. 2007 Jun;16(6):500-6. doi: 10.1111/j.1600-0625.2007.00552.x.@@Leyden J: Recent advances in the use of adapalene 0.1%/benzoyl peroxide 2.5% to treat patients with moderate to severe acne. J Dermatolog Treat. 2016;27 Suppl 1:S4-13. doi: 10.3109/09546634.2016.1145338."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2					224	46505019	D01112	PA448047		DAP000115	Adapalene	CHEMBL1265	60223
DB00210	Adapalene	BE0000663	RARA	P10276	RARA_HUMAN		9204085; 19929446; 31273085; 10651997	"Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103.@@Pierard GE, Pierard-Franchimont C, Paquet P, Quatresooz P: Spotlight on adapalene. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1565-75. doi: 10.1517/17425250903386269.@@Ghyselinck NB, Duester G: Retinoic acid signaling pathways. Development. 2019 Jul 4;146(13). pii: 146/13/dev167502. doi: 10.1242/dev.167502.@@Kim MJ, Ciletti N, Michel S, Reichert U, Rosenfield RL: The role of specific retinoid receptors in sebocyte growth and differentiation in culture. J Invest Dermatol. 2000 Feb;114(2):349-53."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Inflammatory Agents; Naphthalenes; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Retinoids	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2					224	46505019	D01112	PA448047		DAP000115	Adapalene	CHEMBL1265	60223
DB00211	Midodrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	12163120; 9007522; 15163201	"Buckner SA, Milicic I, Daza AV, Meyer MD, Altenbach RJ, Williams M, Sullivan JP, Brioni JD: ABT-866, a novel alpha(1A)-adrenoceptor agonist with antagonist properties at the alpha(1B)- and alpha(1D)-adrenoceptor subtypes. Eur J Pharmacol. 2002 Aug 2;449(1-2):159-65.@@Taniguchi N, Hamada K, Ogasawara T, Ukai Y, Yoshikuni Y, Kimura K: NS-49, an alpha 1A-adrenoceptor agonist, selectively increases intraurethral pressure in dogs. Eur J Pharmacol. 1996 Dec 27;318(1):117-22.@@Altenbach RJ, Khilevich A, Kolasa T, Rohde JJ, Bhatia PA, Patel MV, Searle XB, Yang F, Bunnelle WH, Tietje K, Bayburt EK, Carroll WA, Meyer MD, Henry R, Buckner SA, Kuk J, Daza AV, Milicic IV, Cain JC, Kang CH, Ireland LM, Carr TL, Miller TR, Hancock AA, Nakane M, Esbenshade TA, Brune ME, O'Neill AB, Gauvin DM, Katwala SP, Holladay MW, Brioni JD, Sullivan JP: Synthesis and structure-activity studies on N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an imidazole-containing alpha(1A)-adrenoceptor agonist. J Med Chem. 2004 Jun 3;47(12):3220-35."	Approved	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Substrates; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Cardiac Therapy; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethanolamines; Adrenergic Agents	COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1					918	46507373	D08220	PA164749381		DAP000229	Midodrine	CHEMBL1201212	6963
DB00211	Midodrine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	15163201	"Altenbach RJ, Khilevich A, Kolasa T, Rohde JJ, Bhatia PA, Patel MV, Searle XB, Yang F, Bunnelle WH, Tietje K, Bayburt EK, Carroll WA, Meyer MD, Henry R, Buckner SA, Kuk J, Daza AV, Milicic IV, Cain JC, Kang CH, Ireland LM, Carr TL, Miller TR, Hancock AA, Nakane M, Esbenshade TA, Brune ME, O'Neill AB, Gauvin DM, Katwala SP, Holladay MW, Brioni JD, Sullivan JP: Synthesis and structure-activity studies on N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an imidazole-containing alpha(1A)-adrenoceptor agonist. J Med Chem. 2004 Jun 3;47(12):3220-35."	Approved	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Substrates; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Sympathomimetics; Agents that produce hypertension; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Cardiac Therapy; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethanolamines; Adrenergic Agents	COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1					918	46507373	D08220	PA164749381		DAP000229	Midodrine	CHEMBL1201212	6963
DB00212	Remikiren	BE0000270	REN	P00797	RENI_HUMAN	inhibitor	10583449; 7769797; 7994817; 8206619; 8319997; 11752352	"van Paassen P, Navis GJ, De Jong PE, De Zeeuw D: Pretreatment renal vascular tone predicts the effect of specific renin inhibition on natriuresis in essential hypertension. Eur J Clin Invest. 1999 Dec;29(12):1019-26.@@MacFadyen RJ, Jones CR, Doig JK, Birnbock H, Reid JL: Responses to an orally active renin inhibitor, remikiren (Ro 42-5892), after controlled salt depletion in humans. J Cardiovasc Pharmacol. 1995 Mar;25(3):347-53.@@Kiowski W, Beermann J, Rickenbacher P, Haemmerli R, Thomas M, Burkart F, Meinertz T: Angiotensinergic versus nonangiotensinergic hemodynamic effects of converting enzyme inhibition in patients with chronic heart failure. Assessment by acute renin and converting enzyme inhibition. Circulation. 1994 Dec;90(6):2748-56.@@Hilgers KF, Fischli W, Veelken R, Mann JF: Vascular renin in the guinea pig. Suppression by the renin inhibitor remikiren. Hypertension. 1994 Jun;23(6 Pt 2):861-4.@@Clozel JP, Fischli W: Comparative effects of three different potent renin inhibitors in primates. Hypertension. 1993 Jul;22(1):9-17.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Histidine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Antihypertensive Agents; Renin Inhibitors	CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1						46507286		PA164774779		DAP001220	Remikiren	CHEMBL31601	
DB00213	Pantoprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	19938880; 12487624; 18433349	"Moreira Dias L: Pantoprazole: a proton pump inhibitor. Clin Drug Investig. 2009;29 Suppl 2:3-12. doi: 10.2165/1153121-S0-000000000-00000.@@Cheer SM, Prakash A, Faulds D, Lamb HM: Pantoprazole: an update of its pharmacological properties and therapeutic use in the management of acid-related disorders. Drugs. 2003;63(1):101-33.@@Bardou M, Martin J: Pantoprazole: from drug metabolism to clinical relevance. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):471-83. doi: 10.1517/17425255.4.4.471 ."	Approved	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1		Pantoprazole Metabolism Pathway; Pantoprazole Action Pathway	drug_metabolism; drug_action		11086	46504622	D05353	PA450774		DAP000724	Pantoprazole	CHEMBL1502	40790
DB00213	Pantoprazole	BE0000766	DDAH1	O94760	DDAH1_HUMAN	inhibitor	23825361; 28588208	"Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1."	Approved	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1		Pantoprazole Metabolism Pathway; Pantoprazole Action Pathway	drug_metabolism; drug_action		11086	46504622	D05353	PA450774		DAP000724	Pantoprazole	CHEMBL1502	40790
DB00214	Torasemide	BE0000281	SLC12A2	P55011	S12A2_HUMAN	inhibitor	11752352; 8732438; 1632943	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Baumann P: Pharmacology and pharmacokinetics of citalopram and other SSRIs. Int Clin Psychopharmacol. 1996 Mar;11 Suppl 1:5-11.@@Hyttel J, Bogeso KP, Perregaard J, Sanchez C: The pharmacological effect of citalopram residues in the (S)-(+)-enantiomer. J Neural Transm Gen Sect. 1992;88(2):157-60."	Approved	Pyridinesulfonamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinesulfonamides	Ototoxic agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Increased Diuresis at Loop of Henle; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; High-Ceiling Diuretics; Diuretics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Cytochrome P-450 CYP2C9 Substrates; Sulfur Compounds	CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1		Torsemide Action Pathway	drug_action		286	46504760	D00382	PA451733		DAP000745	Torasemide	CHEMBL1148	38413
DB00214	Torasemide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	11752352; 17460608; 10406837	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Vormfelde SV, Sehrt D, Toliat MR, Schirmer M, Meineke I, Tzvetkov M, Nurnberg P, Brockmoller J: Genetic variation in the renal sodium transporters NKCC2, NCC, and ENaC in relation to the effects of loop diuretic drugs. Clin Pharmacol Ther. 2007 Sep;82(3):300-9. Epub 2007 Apr 25.@@Fortuno A, Muniz P, Ravassa S, Rodriguez JA, Fortuno MA, Zalba G, Diez J: Torasemide inhibits angiotensin II-induced vasoconstriction and intracellular calcium increase in the aorta of spontaneously hypertensive rats. Hypertension. 1999 Jul;34(1):138-43."	Approved	Pyridinesulfonamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinesulfonamides	Ototoxic agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Increased Diuresis at Loop of Henle; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; High-Ceiling Diuretics; Diuretics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Cytochrome P-450 CYP2C9 Substrates; Sulfur Compounds	CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1		Torsemide Action Pathway	drug_action		286	46504760	D00382	PA451733		DAP000745	Torasemide	CHEMBL1148	38413
DB00215	Citalopram	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	21546862; 27049939	"Sangkuhl K, Klein TE, Altman RB: PharmGKB summary: citalopram pharmacokinetics pathway. Pharmacogenet Genomics. 2011 Nov;21(11):769-72. doi: 10.1097/FPC.0b013e328346063f.@@Coleman JA, Green EM, Gouaux E: X-ray structures and mechanism of the human serotonin transporter. Nature. 2016 Apr 21;532(7599):334-9. doi: 10.1038/nature17629. Epub 2016 Apr 6."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Citalopram Action Pathway; Citalopram Metabolism Pathway	drug_metabolism; drug_action		11847	46508746	D07704	PA449015		DAP000118	Citalopram	CHEMBL549	2556
DB00215	Citalopram	BE0000442	HRH1	P35367	HRH1_HUMAN	binder	17916059	"Bareggi SR, Mundo E, Dell'Osso B, Altamura AC: The use of escitalopram beyond major depression: pharmacological aspects, efficacy and tolerability in anxiety disorders. Expert Opin Drug Metab Toxicol. 2007 Oct;3(5):741-53."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Amines; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Citalopram Action Pathway; Citalopram Metabolism Pathway	drug_metabolism; drug_action		11847	46508746	D07704	PA449015		DAP000118	Citalopram	CHEMBL549	2556
DB00216	Eletriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11752352; 10193663; 15821444; 11513839; 12498013; 11152011	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Napier C, Stewart M, Melrose H, Hopkins B, McHarg A, Wallis R: Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors. Eur J Pharmacol. 1999 Mar 5;368(2-3):259-68.@@Wackenfors A, Jarvius M, Ingemansson R, Edvinsson L, Malmsjo M: Triptans induce vasoconstriction of human arteries and veins from the thoracic wall. J Cardiovasc Pharmacol. 2005 May;45(5):476-84.@@Johnson DE, Rollema H, Schmidt AW, McHarg AD: Serotonergic effects and extracellular brain levels of eletriptan, zolmitriptan and sumatriptan in rat brain. Eur J Pharmacol. 2001 Aug 17;425(3):203-10.@@Strijbos PJ, Parsons AA, Fugelli A: Eletriptan Pfizer. Curr Opin Investig Drugs. 2002 Sep;3(9):1359-68.@@Tfelt-Hansen P, De Vries P, Saxena PR: Triptans in migraine: a comparative review of pharmacology, pharmacokinetics and efficacy. Drugs. 2000 Dec;60(6):1259-87."	Approved; Investigational	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP2C9 Substrates; Antimigraine Preparations; Biogenic Monoamines; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System"	CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2					13346	46506380	D07887	PA134687947		DAP000008	Eletriptan	CHEMBL1510	231049
DB00216	Eletriptan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	10193663; 11834243; 15185063	"Napier C, Stewart M, Melrose H, Hopkins B, McHarg A, Wallis R: Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors. Eur J Pharmacol. 1999 Mar 5;368(2-3):259-68.@@Bhalla P, Sharma HS, Wurch T, Pauwels PJ, Saxena PR: Molecular cloning and expression of the porcine trigeminal ganglion cDNA encoding a 5-ht(1F) receptor. Eur J Pharmacol. 2002 Feb 1;436(1-2):23-33.@@Jahnichen S, Radtke OA, Pertz HH: Involvement of 5-HT1B receptors in triptan-induced contractile responses in guinea-pig isolated iliac artery. Naunyn Schmiedebergs Arch Pharmacol. 2004 Jul;370(1):54-63. Epub 2004 Jun 8."	Approved; Investigational	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP2C9 Substrates; Antimigraine Preparations; Biogenic Monoamines; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System"	CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2					13346	46506380	D07887	PA134687947		DAP000008	Eletriptan	CHEMBL1510	231049
DB00222	Glimepiride	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inducer	8172912; 8911984; 8529521	"Muller G, Hartz D, Punter J, Okonomopulos R, Kramer W: Differential interaction of glimepiride and glibenclamide with the beta-cell sulfonylurea receptor. I. Binding characteristics. Biochim Biophys Acta. 1994 May 11;1191(2):267-77.@@Kramer W, Muller G, Geisen K: Characterization of the molecular mode of action of the sulfonylurea, glimepiride, at beta-cells. Horm Metab Res. 1996 Sep;28(9):464-8.@@Kramer W, Muller G, Girbig F, Gutjahr U, Kowalewski S, Hartz D, Summ HD: The molecular interaction of sulfonylureas with beta-cell ATP-sensitive K(+)-channels. Diabetes Res Clin Pract. 1995 Aug;28 Suppl:S67-80."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Drugs Used in Diabetes; Cardiovascular Agents; Immunosuppressive Agents; Insulin Secretagogues; Oral Hypoglycemics; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Sulfones; Sulfonylureas; Sulfur Compounds; Amides; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates	CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O					12597	46508842	D00593	PA449761		DAP000132	Glimepiride	CHEMBL1481	25789
DB00223	Diflorasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15764038	"Pearce DJ, Spencer L, Hu J, Balkrishnan R, Fleischer AB Jr, Feldman SR: Class I topical corticosteroid use by psoriasis patients in an academic practice. J Dermatolog Treat. 2004 Jul;15(4):235-8."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					2049	46504519	D07827	PA164749408		DAP001184	Diflorasone	CHEMBL1201380	91311
DB00226	Guanadrel	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	partial agonist	17139284; 17016423; 6850722; 3896742; 6351026	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Malinow SH: Comparison of guanadrel and guanethidine efficacy and side effects. Clin Ther. 1983;5(3):284-9.@@Finnerty FA Jr, Brogden RN: Guanadrel. A review of its pharmacodynamic and pharmacokinetic properties and therapeutic use in hypertension. Drugs. 1985 Jul;30(1):22-31.@@Palmer JD, Nugent CA: Guanadrel sulfate: a postganglionic sympathetic inhibitor for the treatment of mild to moderate hypertension. Pharmacotherapy. 1983 Jul-Aug;3(4):220-9."	Approved	Ketals	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cardiovascular Agents; Amidines; Adrenergic Antagonists; Antihypertensive Agents	NC(N)=NCC1COC2(CCCCC2)O1						46506457	D08029	PA164745308		DAP000059	Guanadrel	CHEMBL1037	26296
DB00227	Lovastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	12172803; 12204108; 12214063; 12369143; 12405293; 11752352; 19249983; 12082550	"Abe Y, Suzuki T, Ono C, Iwamoto K, Hosobuchi M, Yoshikawa H: Molecular cloning and characterization of an ML-236B (compactin) biosynthetic gene cluster in Penicillium citrinum. Mol Genet Genomics. 2002 Jul;267(5):636-46. Epub 2002 Jun 28.@@Miyazaki A, Koieyama T, Shimada Y, Kikuchi T, Nezu H, Ito K, Kasanuki N, Koga T: Effects of pravastatin sodium on mevalonate metabolism in common marmosets. J Biochem. 2002 Sep;132(3):395-400.@@Buxbaum JD, Geoghagen NS, Friedhoff LT: Cholesterol depletion with physiological concentrations of a statin decreases the formation of the Alzheimer amyloid Abeta peptide. J Alzheimers Dis. 2001 Apr;3(2):221-229.@@Baranova NA, Kreier VG, Egorov NS: [Concentration on Diapak C 16 capsules of lovastatin, mevinolinic acid and other inhibitors of biosynthesis of sterins produced by Penicillium citrinum 89]. Antibiot Khimioter. 2002;47(4):3-6.@@Farina HG, Bublik DR, Alonso DF, Gomez DE: Lovastatin alters cytoskeleton organization and inhibits experimental metastasis of mammary carcinoma cells. Clin Exp Metastasis. 2002;19(6):551-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Podar K, Tai YT, Hideshima T, Vallet S, Richardson PG, Anderson KC: Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127. doi: 10.1517/14728210802676278 .@@Dimitroulakos J, Marhin WH, Tokunaga J, Irish J, Gullane P, Penn LZ, Kamel-Reid S: Microarray and biochemical analysis of lovastatin-induced apoptosis of squamous cell carcinomas. Neoplasia. 2002 Jul-Aug;4(4):337-46."	Approved; Investigational	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC		Lovastatin Action Pathway	drug_action		1290	46508223	D00359	PA450272		DAP000551	Lovastatin	CHEMBL503	6472
DB00227	Lovastatin	BE0000516	ITGAL	P20701	ITAL_HUMAN	inhibitor	10493852; 11385505; 15822172	"Kallen J, Welzenbach K, Ramage P, Geyl D, Kriwacki R, Legge G, Cottens S, Weitz-Schmidt G, Hommel U: Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain. J Mol Biol. 1999 Sep 10;292(1):1-9.@@Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748."	Approved; Investigational	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC		Lovastatin Action Pathway	drug_action		1290	46508223	D00359	PA450272		DAP000551	Lovastatin	CHEMBL503	6472
DB00227	Lovastatin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	18381445; 30266498; 30216432	"Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807.@@Zhang L, Kang W, Lu X, Ma S, Dong L, Zou B: Weighted gene co-expression network analysis and connectivity map identifies lovastatin as a treatment option of gastric cancer by inhibiting HDAC2. Gene. 2019 Jan 10;681:15-25. doi: 10.1016/j.gene.2018.09.040. Epub 2018 Sep 25.@@Luthje P, Walker S, Kamolvit W, Mohanty S, Putsep K, Brauner A: Statins influence epithelial expression of the anti-microbial peptide LL-37/hCAP-18 independently of the mevalonate pathway. Clin Exp Immunol. 2019 Feb;195(2):265-276. doi: 10.1111/cei.13217. Epub 2018 Oct 11."	Approved; Investigational	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A7 Substrates	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC		Lovastatin Action Pathway	drug_action		1290	46508223	D00359	PA450272		DAP000551	Lovastatin	CHEMBL503	6472
DB00228	Enflurane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	potentiator	16402123; 16973644; 11465594	"Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13.@@Greenblatt EP, Meng X: Divergence of volatile anesthetic effects in inhibitory neurotransmitter receptors. Anesthesiology. 2001 Jun;94(6):1026-33."	Approved; Investigational; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation"	FC(F)OC(F)(F)C(F)Cl					2425	46505314	D00543	PA449461		DAP000799	Enflurane	CHEMBL1257	3920
DB00228	Enflurane	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inhibitor	8053596; 1850580; 7741301	"Connelly TJ, Coronado R: Activation of the Ca2+ release channel of cardiac sarcoplasmic reticulum by volatile anesthetics. Anesthesiology. 1994 Aug;81(2):459-69. doi: 10.1097/00000542-199408000-00025.@@Eskinder H, Rusch NJ, Supan FD, Kampine JP, Bosnjak ZJ: The effects of volatile anesthetics on L- and T-type calcium channel currents in canine cardiac Purkinje cells. Anesthesiology. 1991 May;74(5):919-26. doi: 10.1097/00000542-199105000-00018.@@Haworth RA, Goknur AB: Inhibition of sodium/calcium exchange and calcium channels of heart cells by volatile anesthestics. Anesthesiology. 1995 May;82(5):1255-65. doi: 10.1097/00000542-199505000-00021."	Approved; Investigational; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation"	FC(F)OC(F)(F)C(F)Cl					2425	46505314	D00543	PA449461		DAP000799	Enflurane	CHEMBL1257	3920
DB00228	Enflurane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	potentiator	25807016; 10683198; 16973644	"Borghese CM: The molecular pharmacology of volatile anesthetics. Int Anesthesiol Clin. 2015 Spring;53(2):28-39. doi: 10.1097/AIA.0000000000000060.@@Krasowski MD, Harrison NL: The actions of ether, alcohol and alkane general anaesthetics on GABAA and glycine receptors and the effects of TM2 and TM3 mutations. Br J Pharmacol. 2000 Feb;129(4):731-43.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13."	Approved; Investigational; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation"	FC(F)OC(F)(F)C(F)Cl					2425	46505314	D00543	PA449461		DAP000799	Enflurane	CHEMBL1257	3920
DB00228	Enflurane	BE0009847	KCNA1	Q13303	KCAB2_HUMAN	inhibitor	19298752; 11605938; 10794813	"Matchett GA, Allard MW, Martin RD, Zhang JH: Neuroprotective effect of volatile anesthetic agents: molecular mechanisms. Neurol Res. 2009 Mar;31(2):128-34. doi: 10.1179/174313209X393546.@@Friederich P, Benzenberg D, Trellakis S, Urban BW: Interaction of volatile anesthetics with human Kv channels in relation to clinical concentrations. Anesthesiology. 2001 Oct;95(4):954-8. doi: 10.1097/00000542-200110000-00026.@@Namba T, Ishii TM, Ikeda M, Hisano T, Itoh T, Hirota K, Adelman JP, Fukuda K: Inhibition of the human intermediate conductance Ca(2+)-activated K(+) channel, hIK1, by volatile anesthetics. Eur J Pharmacol. 2000 Apr 28;395(2):95-101."	Approved; Investigational; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation"	FC(F)OC(F)(F)C(F)Cl					2425	46505314	D00543	PA449461		DAP000799	Enflurane	CHEMBL1257	3920
DB00228	Enflurane	BE0000218	ATP2C1	P98194	AT2C1_HUMAN	inhibitor	7873420; 8214757	"Kosk-Kosicka D: Plasma membrane Ca(2+)-ATPase as a target for volatile anesthetics. Adv Pharmacol. 1994;31:313-22.@@Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80."	Approved; Investigational; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethers; Nervous System; Anesthetics, Inhalation"	FC(F)OC(F)(F)C(F)Cl					2425	46505314	D00543	PA449461		DAP000799	Enflurane	CHEMBL1257	3920
DB00230	Pregabalin	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN		24533015	"Verma V, Singh N, Singh Jaggi A: Pregabalin in neuropathic pain: evidences and possible mechanisms. Curr Neuropharmacol. 2014 Jan;12(1):44-56. doi: 10.2174/1570159X1201140117162802."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; QTc Prolonging Agents; Agents causing angioedema; Amino Acids, Peptides, and Proteins; Butyrates; Muscle Relaxants, Centrally Acting Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Amino Acids; Vasodilating Agents; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Aminobutyrates; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Hypoglycemia-Associated Agents; Bradycardia-Causing Agents; Nervous System; Anticonvulsants; Gabapentinoids"	CC(C)C[C@H](CN)CC(O)=O					15568	46504934	D02716	PA164754814		DAP001264	Pregabalin	CHEMBL1059	187832
DB00231	Temazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents"	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1					2014	46506604	D00370	PA451608		DAP000238	Temazepam	CHEMBL967	10355
DB00231	Temazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents"	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1					2014	46506604	D00370	PA451608		DAP000238	Temazepam	CHEMBL967	10355
DB00232	Methyclothiazide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Hypotensive Agents; Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Increased Diuresis; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Hyperglycemia-Associated Agents; Sulfur Compounds; Benzothiadiazines; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O		Methyclothiazide Action Pathway	drug_action		10199	46509197	D00656	PA164748094		DAP000746	Methyclothiazide	CHEMBL1577	6860
DB00232	Methyclothiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	10713865; 9546276; 19119014	"Puscas I, Coltau M, Baican M, Domuta G, Hecht A: Vasodilatory effect of diuretics is dependent on inhibition of vascular smooth muscle carbonic anhydrase by a direct mechanism of action. Drugs Exp Clin Res. 1999;25(6):271-9.@@Couloigner V, Loiseau A, Sterkers O, Amiel C, Ferrary E: Effect of locally applied drugs on the endolymphatic sac potential. Laryngoscope. 1998 Apr;108(4 Pt 1):592-8.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Hypotensive Agents; Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Increased Diuresis; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Hyperglycemia-Associated Agents; Sulfur Compounds; Benzothiadiazines; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O		Methyclothiazide Action Pathway	drug_action		10199	46509197	D00656	PA164748094		DAP000746	Methyclothiazide	CHEMBL1577	6860
DB00232	Methyclothiazide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	10713865; 19119014	"Puscas I, Coltau M, Baican M, Domuta G, Hecht A: Vasodilatory effect of diuretics is dependent on inhibition of vascular smooth muscle carbonic anhydrase by a direct mechanism of action. Drugs Exp Clin Res. 1999;25(6):271-9.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Hypotensive Agents; Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Increased Diuresis; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Hyperglycemia-Associated Agents; Sulfur Compounds; Benzothiadiazines; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O		Methyclothiazide Action Pathway	drug_action		10199	46509197	D00656	PA164748094		DAP000746	Methyclothiazide	CHEMBL1577	6860
DB00234	Reboxetine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	12388649; 12623106; 15878511; 16633143; 16893531; 11249515	"Rauhut AS, Mullins SN, Dwoskin LP, Bardo MT: Reboxetine: attenuation of intravenous nicotine self-administration in rats. J Pharmacol Exp Ther. 2002 Nov;303(2):664-72.@@Wilson AA, Johnson DP, Mozley D, Hussey D, Ginovart N, Nobrega J, Garcia A, Meyer J, Houle S: Synthesis and in vivo evaluation of novel radiotracers for the in vivo imaging of the norepinephrine transporter. Nucl Med Biol. 2003 Feb;30(2):85-92.@@Lin KS, Ding YS, Kim SW, Kil KE: Synthesis, enantiomeric resolution, F-18 labeling and biodistribution of reboxetine analogs: promising radioligands for imaging the norepinephrine transporter with positron emission tomography. Nucl Med Biol. 2005 May;32(4):415-22.@@Spivak B, Strous RD, Shaked G, Shabash E, Kotler M, Weizman A: Reboxetine versus fluvoxamine in the treatment of motor vehicle accident-related posttraumatic stress disorder: a double-blind, fixed-dosage, controlled trial. J Clin Psychopharmacol. 2006 Apr;26(2):152-6.@@Mitchell HA, Ahern TH, Liles LC, Javors MA, Weinshenker D: The effects of norepinephrine transporter inactivation on locomotor activity in mice. Biol Psychiatry. 2006 Nov 15;60(10):1046-52. Epub 2006 Aug 7.@@Kasper S, el Giamal N, Hilger E: Reboxetine: the first selective noradrenaline re-uptake inhibitor. Expert Opin Pharmacother. 2000 May;1(4):771-82."	Approved; Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Cytochrome P-450 CYP3A4 Substrates; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Adrenergic Agents	[H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1						46504845		PA144614921		DAP000720	Reboxetine	CHEMBL383921	60842
DB00235	Milrinone	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	10511123; 10859452; 12135876; 12181427; 12652111; 11752352; 6177950	"Cone J, Wang S, Tandon N, Fong M, Sun B, Sakurai K, Yoshitake M, Kambayashi J, Liu Y: Comparison of the effects of cilostazol and milrinone on intracellular cAMP levels and cellular function in platelets and cardiac cells. J Cardiovasc Pharmacol. 1999 Oct;34(4):497-504.@@Kuthe A, Magert H, Uckert S, Forssmann WG, Stief CG, Jonas U: Gene expression of the phosphodiesterases 3A and 5A in human corpus cavernosum penis. Eur Urol. 2000 Jul;38(1):108-14.@@Lefievre L, de Lamirande E, Gagnon C: Presence of cyclic nucleotide phosphodiesterases PDE1A, existing as a stable complex with calmodulin, and PDE3A in human spermatozoa. Biol Reprod. 2002 Aug;67(2):423-30.@@Zhang W, Ke H, Colman RW: Identification of interaction sites of cyclic nucleotide phosphodiesterase type 3A with milrinone and cilostazol using molecular modeling and site-directed mutagenesis. Mol Pharmacol. 2002 Sep;62(3):514-20.@@Shakur Y, Fong M, Hensley J, Cone J, Movsesian MA, Kambayashi J, Yoshitake M, Liu Y: Comparison of the effects of cilostazol and milrinone on cAMP-PDE activity, intracellular cAMP and calcium in the heart. Cardiovasc Drugs Ther. 2002 Sep;16(5):417-27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kariya T, Wille LJ, Dage RC: Biochemical studies on the mechanism of cardiotonic activity of MDL 17,043. J Cardiovasc Pharmacol. 1982 May-Jun;4(3):509-14. doi: 10.1097/00005344-198205000-00024."	Approved	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines	"Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Pyridines; Hematologic Agents; Protective Agents; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Phosphodiesterase Inhibitors; Cardiotonic Agents"	CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1					1216	46507838	D00417	PA164749171		DAP000150	Milrinone	CHEMBL189	52769
DB00237	Butabarbital	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0009927	CHRNA10	P30926	ACHB4_HUMAN	inhibitor	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	10487207; 11264449	"Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000831	GRIA3	P42263	GRIA3_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000830	GRIA4	P48058	GRIA4_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000346	GRIK1	P39086	GRIK1_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000832	GRIK3	Q13003	GRIK3_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00237	Butabarbital	BE0000827	GRIK4	Q16099	GRIK4_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Psycholeptics; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Drugs that are Mainly Renally Excreted; Barbiturates; Anticonvulsants	CCC(C)C1(CC)C(=O)NC(=O)NC1=O					8245	46505051	D03180	PA164743463		DAP000667	Butabarbital	CHEMBL449	477631
DB00239	Oxiconazole	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	17998298	"Svecova L, Vrzal R, Burysek L, Anzenbacherova E, Cerveny L, Grim J, Trejtnar F, Kunes J, Pour M, Staud F, Anzenbacher P, Dvorak Z, Pavek P: Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug Metab Dispos. 2008 Feb;36(2):339-48. Epub 2007 Nov 12."	Approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Imidazole Derivatives; Cytochrome P-450 Enzyme Inducers; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Imidazole and Triazole Derivatives; Gynecological Antiinfectives and Antiseptics; Antifungals for Dermatological Use; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Dermatologicals; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates	ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1					11326	46504752	D08313	PA164754742		DAP001204	Oxiconazole	CHEMBL1262	32638
DB00240	Alclometasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	20920967; 9891987	"Labeur M, Holsboer F: Molecular mechanisms of glucocorticoid receptor signaling. Medicina (B Aires). 2010;70(5):457-62.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C						46508296	D07116	PA164747650		DAP000415	Alclometasone	CHEMBL1201361	108088
DB00241	Butalbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00241	Butalbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Psycholeptics; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Methemoglobinemia Associated Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Barbiturates; Anticonvulsants	CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O					8231	46505876	D03182	PA448695		DAP000668	Butalbital	CHEMBL454	19860
DB00242	Cladribine	BE0002450	RRM2	P31350	RIR2_HUMAN	inhibitor	19715446; 17852710; 19576186; 16316309; 9923554	"Sampat K, Kantarjian H, Borthakur G: Clofarabine: emerging role in leukemias. Expert Opin Investig Drugs. 2009 Oct;18(10):1559-64. doi: 10.1517/13543780903173222.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues"	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1					1739	46504588	D01370	PA449027		DAP000565	Cladribine	CHEMBL1619	44157
DB00242	Cladribine	BE0003613	RRM2B	Q7LG56	RIR2B_HUMAN	inhibitor	19715446; 17852710; 19576186; 16316309; 9923554	"Sampat K, Kantarjian H, Borthakur G: Clofarabine: emerging role in leukemias. Expert Opin Investig Drugs. 2009 Oct;18(10):1559-64. doi: 10.1517/13543780903173222.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues"	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1					1739	46504588	D01370	PA449027		DAP000565	Cladribine	CHEMBL1619	44157
DB00242	Cladribine	BE0000546	POLA1	P09884	DPOLA_HUMAN	inhibitor	19576186; 16316309; 9923554; 14722255	"Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1.@@Kline JP, Larson RA: Clofarabine in the treatment of acute myeloid leukaemia and acute lymphoblastic leukaemia: a review. Expert Opin Pharmacother. 2005 Dec;6(15):2711-8.@@Takahashi T, Kanazawa J, Akinaga S, Tamaoki T, Okabe M: Antitumor activity of 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl) adenine, a novel deoxyadenosine analog, against human colon tumor xenografts by oral administration. Cancer Chemother Pharmacol. 1999;43(3):233-40.@@Hartman WR, Hentosh P: The antileukemia drug 2-chloro-2'-deoxyadenosine: an intrinsic transcriptional antagonist. Mol Pharmacol. 2004 Jan;65(1):227-34."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues"	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1					1739	46504588	D01370	PA449027		DAP000565	Cladribine	CHEMBL1619	44157
DB00242	Cladribine	BE0003614	POLE	Q07864	DPOE1_HUMAN	inhibitor	19576186	"Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues"	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1					1739	46504588	D01370	PA449027		DAP000565	Cladribine	CHEMBL1619	44157
DB00242	Cladribine	BE0003615	POLE2	P56282	DPOE2_HUMAN	inhibitor	19576186	"Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Purines; Nucleosides; Antimetabolites; Purine Antimetabolite; Cardiotoxic antineoplastic agents; Immunologic Factors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Deoxyribonucleosides; Selective Immunosuppressants; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; 2-Chloroadenosine; Narrow Therapeutic Index Drugs; Purine Analogues"	NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1					1739	46504588	D01370	PA449027		DAP000565	Cladribine	CHEMBL1619	44157
DB00243	Ranolazine	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	26979079; 26459200; 16640453	"Rayner-Hartley E, Sedlak T: Ranolazine: A Contemporary Review. J Am Heart Assoc. 2016 Mar 15;5(3):e003196. doi: 10.1161/JAHA.116.003196.@@Saad M, Mahmoud A, Elgendy IY, Richard Conti C: Ranolazine in Cardiac Arrhythmia. Clin Cardiol. 2016 Mar;39(3):170-8. doi: 10.1002/clc.22476. Epub 2015 Oct 13.@@Jerling M: Clinical pharmacokinetics of ranolazine. Clin Pharmacokinet. 2006;45(5):469-91. doi: 10.2165/00003088-200645050-00003."	Approved; Investigational	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Miscellaneous Cardiac Drugs; OCT2 Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cardiovascular Agents; Acetamides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; MATE 2 Inhibitors; Cardiac Therapy; Antianginal Agents; Moderate Risk QTc-Prolonging Agents	COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1					23546	46505145		PA164746007		DAP000875	Ranolazine	CHEMBL1404	35829
DB00243	Ranolazine	BE0009739	CACNA1C	O00305	CACB4_HUMAN	inhibitor	26459200; 23472826; 16520744; 26185330	"Saad M, Mahmoud A, Elgendy IY, Richard Conti C: Ranolazine in Cardiac Arrhythmia. Clin Cardiol. 2016 Mar;39(3):170-8. doi: 10.1002/clc.22476. Epub 2015 Oct 13.@@Peters CH, Sokolov S, Rajamani S, Ruben PC: Effects of the antianginal drug, ranolazine, on the brain sodium channel Na(V)1.2 and its modulation by extracellular protons. Br J Pharmacol. 2013 Jun;169(3):704-16. doi: 10.1111/bph.12150.@@Fredj S, Sampson KJ, Liu H, Kass RS: Molecular basis of ranolazine block of LQT-3 mutant sodium channels: evidence for site of action. Br J Pharmacol. 2006 May;148(1):16-24. doi: 10.1038/sj.bjp.0706709.@@Neshatian L, Strege PR, Rhee PL, Kraichely RE, Mazzone A, Bernard CE, Cima RR, Larson DW, Dozois EJ, Kline CF, Mohler PJ, Beyder A, Farrugia G: Ranolazine inhibits voltage-gated mechanosensitive sodium channels in human colon circular smooth muscle cells. Am J Physiol Gastrointest Liver Physiol. 2015 Sep 15;309(6):G506-12. doi: 10.1152/ajpgi.00051.2015. Epub 2015 Jul 16."	Approved; Investigational	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Miscellaneous Cardiac Drugs; OCT2 Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cardiovascular Agents; Acetamides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; MATE 2 Inhibitors; Cardiac Therapy; Antianginal Agents; Moderate Risk QTc-Prolonging Agents	COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1					23546	46505145		PA164746007		DAP000875	Ranolazine	CHEMBL1404	35829
DB00244	Mesalazine	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	15824083; 18544567; 18077625; 16939423	"Rousseaux C, Lefebvre B, Dubuquoy L, Lefebvre P, Romano O, Auwerx J, Metzger D, Wahli W, Desvergne B, Naccari GC, Chavatte P, Farce A, Bulois P, Cortot A, Colombel JF, Desreumaux P: Intestinal antiinflammatory effect of 5-aminosalicylic acid is dependent on peroxisome proliferator-activated receptor-gamma. J Exp Med. 2005 Apr 18;201(8):1205-15. Epub 2005 Apr 11.@@Schwab M, Reynders V, Loitsch S, Shastri YM, Steinhilber D, Schroder O, Stein J: PPARgamma is involved in mesalazine-mediated induction of apoptosis and inhibition of cell growth in colon cancer cells. Carcinogenesis. 2008 Jul;29(7):1407-14. doi: 10.1093/carcin/bgn118. Epub 2008 Jun 9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9."	Approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents"	NC1=CC(C(O)=O)=C(O)C=C1					14088	46509142	D00377	PA450384		DAP000729	Mesalazine	CHEMBL704	52582
DB00244	Mesalazine	BE0001154	IKBKB	O14920	IKKB_HUMAN	inhibitor	11151876; 12950415; 11054378	"Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18."	Approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Aminosalicylate; Aminosalicylic Acids; Agents causing hyperkalemia; Anti-Inflammatory Agents; OATP1B3 substrates; Phenols; Salicylates; Analgesics, Non-Narcotic; OATP1B1/SLCO1B1 Substrates; OATP2B1/SLCO2B1 substrates; Nephrotoxic agents; Agents that produce hypertension; Hydroxybenzoates; Benzene Derivatives; Analgesics; Intestinal Antiinflammatory Agents"	NC1=CC(C(O)=O)=C(O)C=C1					14088	46509142	D00377	PA450384		DAP000729	Mesalazine	CHEMBL704	52582
DB00245	Benzatropine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	11349389; 16460947; 11395483; 11277529; 10230713; 11728190	"Katz JL, Agoston GE, Alling KL, Kline RH, Forster MJ, Woolverton WL, Kopajtic TA, Newman AH: Dopamine transporter binding without cocaine-like behavioral effects: synthesis and evaluation of benztropine analogs alone and in combination with cocaine in rodents. Psychopharmacology (Berl). 2001 Apr;154(4):362-74.@@Kulkarni SS, Kopajtic TA, Katz JL, Newman AH: Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem. 2006 Jun 1;14(11):3625-34. Epub 2006 Feb 3.@@Reith ME, Berfield JL, Wang LC, Ferrer JV, Javitch JA: The uptake inhibitors cocaine and benztropine differentially alter the conformation of the human dopamine transporter. J Biol Chem. 2001 Aug 3;276(31):29012-8. Epub 2001 Jun 6.@@Simoni D, Roberti M, Rondanin R, Baruchello R, Rossi M, Invidiata FP, Merighi S, Varani K, Gessi S, Borea PA, Marino S, Cavallini S, Bianchi C, Siniscalchi A: Effects of two-carbon bridge region methoxylation of benztropine: discovery of novel chiral ligands for the dopamine transporter. Bioorg Med Chem Lett. 2001 Mar 26;11(6):823-7.@@Todd CL, Grace AA: Interaction of benztropine and haloperidol actions on rat substantia nigra dopamine cell electrophysiological activity in vivo. Brain Res Bull. 1999 Jan 15;48(2):219-22.@@Zou MF, Kopajtic T, Katz JL, Wirtz S, Justice JB Jr, Newman AH: Novel tropane-based irreversible ligands for the dopamine transporter. J Med Chem. 2001 Dec 6;44(25):4453-61."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Histamine H1 Antagonists; Agents producing tachycardia; Cholinergic Agents; Neurotransmitter Uptake Inhibitors; Ethers of Tropine or Tropine Derivatives; Aza Compounds; Cytochrome P-450 Substrates; Histamine Antagonists; Alkaloids; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Anti-Dyskinesia Agents	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C					5922	46505349	D07511	PA448591		DAP001460	Benzatropine	CHEMBL1201203	1424
DB00245	Benzatropine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	16460947	"Kulkarni SS, Kopajtic TA, Katz JL, Newman AH: Comparative structure-activity relationships of benztropine analogues at the dopamine transporter and histamine H(1) receptors. Bioorg Med Chem. 2006 Jun 1;14(11):3625-34. Epub 2006 Feb 3."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Histamine H1 Antagonists; Agents producing tachycardia; Cholinergic Agents; Neurotransmitter Uptake Inhibitors; Ethers of Tropine or Tropine Derivatives; Aza Compounds; Cytochrome P-450 Substrates; Histamine Antagonists; Alkaloids; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Anti-Dyskinesia Agents	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C					5922	46505349	D07511	PA448591		DAP001460	Benzatropine	CHEMBL1201203	1424
DB00245	Benzatropine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17897630	"Rothman RB, Baumann MH, Prisinzano TE, Newman AH: Dopamine transport inhibitors based on GBR12909 and benztropine as potential medications to treat cocaine addiction. Biochem Pharmacol. 2008 Jan 1;75(1):2-16. doi: 10.1016/j.bcp.2007.08.007. Epub 2007 Aug 9."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Histamine H1 Antagonists; Agents producing tachycardia; Cholinergic Agents; Neurotransmitter Uptake Inhibitors; Ethers of Tropine or Tropine Derivatives; Aza Compounds; Cytochrome P-450 Substrates; Histamine Antagonists; Alkaloids; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Anti-Dyskinesia Agents	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C					5922	46505349	D07511	PA448591		DAP001460	Benzatropine	CHEMBL1201203	1424
DB00245	Benzatropine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17897630	"Rothman RB, Baumann MH, Prisinzano TE, Newman AH: Dopamine transport inhibitors based on GBR12909 and benztropine as potential medications to treat cocaine addiction. Biochem Pharmacol. 2008 Jan 1;75(1):2-16. doi: 10.1016/j.bcp.2007.08.007. Epub 2007 Aug 9."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Histamine H1 Antagonists; Agents producing tachycardia; Cholinergic Agents; Neurotransmitter Uptake Inhibitors; Ethers of Tropine or Tropine Derivatives; Aza Compounds; Cytochrome P-450 Substrates; Histamine Antagonists; Alkaloids; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Anti-Dyskinesia Agents	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C					5922	46505349	D07511	PA448591		DAP001460	Benzatropine	CHEMBL1201203	1424
DB00246	Ziprasidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11873706; 15726024; 7562537; 14728084; 17848919	"Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Kopecek M, Bares M, Mohr P: Ziprasidone-induced galactorrhea: a case report. Neuro Endocrinol Lett. 2005 Feb;26(1):69-70.@@Seeger TF, Seymour PA, Schmidt AW, Zorn SH, Schulz DW, Lebel LA, McLean S, Guanowsky V, Howard HR, Lowe JA 3rd, et al.: Ziprasidone (CP-88,059): a new antipsychotic with combined dopamine and serotonin receptor antagonist activity. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13.@@Stahl SM, Shayegan DK: The psychopharmacology of ziprasidone: receptor-binding properties and real-world psychiatric practice. J Clin Psychiatry. 2003;64 Suppl 19:6-12.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000659	HTR1D	P28221	5HT1D_HUMAN	antagonist	14728084; 11910268; 7562537; 11132243; 10516958; 14638642	"Stahl SM, Shayegan DK: The psychopharmacology of ziprasidone: receptor-binding properties and real-world psychiatric practice. J Clin Psychiatry. 2003;64 Suppl 19:6-12.@@Wilner KD, Anziano RJ, Johnson AC, Miceli JJ, Fricke JR, Titus CK: The anxiolytic effect of the novel antipsychotic ziprasidone compared with diazepam in subjects anxious before dental surgery. J Clin Psychopharmacol. 2002 Apr;22(2):206-10.@@Seeger TF, Seymour PA, Schmidt AW, Zorn SH, Schulz DW, Lebel LA, McLean S, Guanowsky V, Howard HR, Lowe JA 3rd, et al.: Ziprasidone (CP-88,059): a new antipsychotic with combined dopamine and serotonin receptor antagonist activity. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Sprouse JS, Reynolds LS, Braselton JP, Rollema H, Zorn SH: Comparison of the novel antipsychotic ziprasidone with clozapine and olanzapine: inhibition of dorsal raphe cell firing and the role of 5-HT1A receptor activation. Neuropsychopharmacology. 1999 Nov;21(5):622-31.@@Cates ME: Ziprasidone--not an option for serotonin syndrome. CMAJ. 2003 Nov 25;169(11):1147-8."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	14728084; 11103883; 7562537; 11132243; 16918396; 14638642	"Stahl SM, Shayegan DK: The psychopharmacology of ziprasidone: receptor-binding properties and real-world psychiatric practice. J Clin Psychiatry. 2003;64 Suppl 19:6-12.@@Sanchez C, Arnt J: In-vivo assessment of 5-HT2A and 5-HT2C antagonistic properties of newer antipsychotics. Behav Pharmacol. 2000 Jun;11(3-4):291-8.@@Seeger TF, Seymour PA, Schmidt AW, Zorn SH, Schulz DW, Lebel LA, McLean S, Guanowsky V, Howard HR, Lowe JA 3rd, et al.: Ziprasidone (CP-88,059): a new antipsychotic with combined dopamine and serotonin receptor antagonist activity. J Pharmacol Exp Ther. 1995 Oct;275(1):101-13.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Wood MD, Scott C, Clarke K, Cato KJ, Patel N, Heath J, Worby A, Gordon L, Campbell L, Riley G, Davies CH, Gribble A, Jones DN: Pharmacological profile of antipsychotics at monoamine receptors: atypicality beyond 5-HT2A receptor blockade. CNS Neurol Disord Drug Targets. 2006 Aug;5(4):445-52.@@Cates ME: Ziprasidone--not an option for serotonin syndrome. CMAJ. 2003 Nov 25;169(11):1147-8."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	17139284; 17016423; 17848919	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000476	HTR1E	P28566	5HT1E_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	20075651; 17848919	"Andersohn F, Schmedt N, Weinmann S, Willich SN, Garbe E: Priapism associated with antipsychotics: role of alpha1 adrenoceptor affinity. J Clin Psychopharmacol. 2010 Feb;30(1):68-71. doi: 10.1097/JCP.0b013e3181c8273d.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00246	Ziprasidone	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Indole Derivatives; Dopamine Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1					11753	46507627	D08687	PA451974		DAP000079	Ziprasidone	CHEMBL708	115698
DB00247	Methysergide	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	11752352; 12555241	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Johnson MP, Lea RA, Curtain RP, MacMillan JC, Griffiths LR: An investigation of the 5-HT2C receptor gene as a migraine candidate gene. Am J Med Genet B Neuropsychiatr Genet. 2003 Feb;117B(1):86-9."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO					5187	46506117	D02357	PA164743265		DAP000366	Methysergide	CHEMBL485253	6911
DB00247	Methysergide	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	14501155	"Sugimoto Y, Inoue K, Yamada J: The tricyclic antidepressant clomipramine increases plasma glucose levels of mice. J Pharmacol Sci. 2003 Sep;93(1):74-9."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO					5187	46506117	D02357	PA164743265		DAP000366	Methysergide	CHEMBL485253	6911
DB00247	Methysergide	BE0000460	HTR1F	P30939	5HT1F_HUMAN	binder	8380639	"Adham N, Kao HT, Schecter LE, Bard J, Olsen M, Urquhart D, Durkin M, Hartig PR, Weinshank RL, Branchek TA: Cloning of another human serotonin receptor (5-HT1F): a fifth 5-HT1 receptor subtype coupled to the inhibition of adenylate cyclase. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):408-12."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO					5187	46506117	D02357	PA164743265		DAP000366	Methysergide	CHEMBL485253	6911
DB00247	Methysergide	BE0000476	HTR1E	P28566	5HT1E_HUMAN	binder	8380639	"Adham N, Kao HT, Schecter LE, Bard J, Olsen M, Urquhart D, Durkin M, Hartig PR, Weinshank RL, Branchek TA: Cloning of another human serotonin receptor (5-HT1F): a fifth 5-HT1 receptor subtype coupled to the inhibition of adenylate cyclase. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):408-12."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cardiovascular Agents; Lysergic Acid; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Vasoconstrictor Agents; Ergolines; Ergot Alkaloids and Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Serotonin Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO					5187	46506117	D02357	PA164743265		DAP000366	Methysergide	CHEMBL485253	6911
DB00248	Cabergoline	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	11752352; 12464354; 12008749; 12721865; 15341508; 8951172; 11436517; 18303487	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Lombardi G, Varsaldi F, Miglio G, Papini MG, Battaglia A, Canonico PL: Cabergoline prevents necrotic neuronal death in an in vitro model of oxidative stress. Eur J Pharmacol. 2002 Dec 20;457(2-3):95-8.@@Kageyama K, Nigawara T, Kamata Y, Takahashi T, Anzai J, Suzuki S, Osamura YR, Suda T: A case of macroprolactinoma with subclinical growth hormone production. Endocr J. 2002 Feb;49(1):41-7.@@Pastor P, Tolosa E: [Cabergoline in the treatment of Parkinson's disease]. Neurologia. 2003 May;18(4):202-9.@@Curran MP, Perry CM: Cabergoline : a review of its use in the treatment of Parkinson's disease. Drugs. 2004;64(18):2125-41.@@Miyagi M, Arai N, Taya F, Itoh F, Komatsu Y, Kojima M, Isaji M: Effect of cabergoline, a long-acting dopamine D2 agonist, on reserpine-treated rodents. Biol Pharm Bull. 1996 Nov;19(11):1499-502.@@Ichikawa K, Kojima M: [Pharmacological effects of cabergoline against parkinsonism]. Nihon Yakurigaku Zasshi. 2001 Jun;117(6):395-400.@@Linazasoro G: Conversion from dopamine agonists to cabergoline: an open-label trial in 128 patients with advanced Parkinson disease. Clin Neuropharmacol. 2008 Jan-Feb;31(1):19-24. doi: 10.1097/wnf.0b013e318067bcc4."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132; 10641988; 18992242	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	18691132; 10641988	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	18691132; 10641988; 20426763; 18992242	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Sharif NA: Serotonin-2 receptor agonists as novel ocular hypotensive agents and their cellular and molecular mechanisms of action. Curr Drug Targets. 2010 Aug;11(8):978-93.@@Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	18992242	"Sharif NA, McLaughlin MA, Kelly CR, Katoli P, Drace C, Husain S, Crosson C, Toris C, Zhan GL, Camras C: Cabergoline: Pharmacology, ocular hypotensive studies in multiple species, and aqueous humor dynamic modulation in the Cynomolgus monkey eyes. Exp Eye Res. 2009 Mar;88(3):386-97. doi: 10.1016/j.exer.2008.10.003. Epub 2008 Nov 1."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	binder	12388666	"Millan MJ, Maiofiss L, Cussac D, Audinot V, Boutin JA, Newman-Tancredi A: Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes. J Pharmacol Exp Ther. 2002 Nov;303(2):791-804."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00248	Cabergoline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	binder	12388666	"Millan MJ, Maiofiss L, Cussac D, Audinot V, Boutin JA, Newman-Tancredi A: Differential actions of antiparkinson agents at multiple classes of monoaminergic receptor. I. A multivariate analysis of the binding profiles of 14 drugs at 21 native and cloned human receptor subtypes. J Pharmacol Exp Ther. 2002 Nov;303(2):791-804."	Approved	Lysergic acids and derivatives	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC					12006	46508571	D00987	PA448708		DAP000251	Cabergoline	CHEMBL1201087	47579
DB00252	Phenytoin	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	150666; 15001403; 22678159	"Mitiushin VM, Kozyreva EV: [Several types of mitochondrial ultrastructure in animal cell mitochondria and their relationship to energy production]. Tsitologiia. 1978 Apr;20(4):371-9.@@Swadron SP, Rudis MI, Azimian K, Beringer P, Fort D, Orlinsky M: A comparison of phenytoin-loading techniques in the emergency department. Acad Emerg Med. 2004 Mar;11(3):244-52.@@Yang M, Kozminski DJ, Wold LA, Modak R, Calhoun JD, Isom LL, Brackenbury WJ: Therapeutic potential for phenytoin: targeting Na(v)1.5 sodium channels to reduce migration and invasion in metastatic breast cancer. Breast Cancer Res Treat. 2012 Jul;134(2):603-15. doi: 10.1007/s10549-012-2102-9. Epub 2012 Jun 8."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0000141	SCN1A	P35498	SCN1A_HUMAN	inhibitor	15805193; 17001291; 20298965	"Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1.@@Tate SK, Singh R, Hung CC, Tai JJ, Depondt C, Cavalleri GL, Sisodiya SM, Goldstein DB, Liou HH: A common polymorphism in the SCN1A gene associates with phenytoin serum levels at maintenance dose. Pharmacogenet Genomics. 2006 Oct;16(10):721-6.@@Mantegazza M, Curia G, Biagini G, Ragsdale DS, Avoli M: Voltage-gated sodium channels as therapeutic targets in epilepsy and other neurological disorders. Lancet Neurol. 2010 Apr;9(4):413-24. doi: 10.1016/S1474-4422(10)70059-4."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	28349209	Keppel Hesselink JM: Phenytoin: a step by step insight into its multiple mechanisms of action-80 years of mechanistic studies in neuropharmacology. J Neurol. 2017 Sep;264(9):2043-2047. doi: 10.1007/s00415-017-8465-4. Epub 2017 Mar 27.	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	inhibitor	15805193	"Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0002084	SCN8A	Q9UQD0	SCN8A_HUMAN	inhibitor	15805193	"Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0000956	NR1I2	O75469	NR1I2_HUMAN		14977870; 15039302	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58.@@Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0002082	SCN3A	Q9NY46	SCN3A_HUMAN		15922564; 15805193	"Lucas PT, Meadows LS, Nicholls J, Ragsdale DS: An epilepsy mutation in the beta1 subunit of the voltage-gated sodium channel results in reduced channel sensitivity to phenytoin. Epilepsy Res. 2005 May;64(3):77-84.@@Tate SK, Depondt C, Sisodiya SM, Cavalleri GL, Schorge S, Soranzo N, Thom M, Sen A, Shorvon SD, Sander JW, Wood NW, Goldstein DB: Genetic predictors of the maximum doses patients receive during clinical use of the anti-epileptic drugs carbamazepine and phenytoin. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5507-12. Epub 2005 Apr 1."	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00252	Phenytoin	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN		28349209	Keppel Hesselink JM: Phenytoin: a step by step insight into its multiple mechanisms of action-80 years of mechanistic studies in neuropharmacology. J Neurol. 2017 Sep;264(9):2043-2047. doi: 10.1007/s00415-017-8465-4. Epub 2017 Mar 27.	Approved; Vet_approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong); Phenytoin and Prodrugs; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A5 Inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates; UGT1A6 substrate; Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers (strong); UGT1A9 Inhibitors; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A7 Inducers (weak); COMT Substrates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; UGT1A1 Inducers; UGT1A6 Inhibitors; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strong); UGT1A6 Substrates with a Narrow Therapeutic Index; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; UGT1A1 Substrates; Inducers of Drug Clearance; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway; Phenytoin (Antiarrhythmic) Action Pathway	drug_metabolism; drug_action		10209	46508847	D00512	PA450947		DAP000130	Phenytoin	CHEMBL16	8183
DB00253	Medrysone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	6336597; 11752352; 15634032	"Southren AL, Dominguez MO, Gordon GG, Wenk EJ, Hernandez MR, Dunn MW, Weinstein BI: Nuclear translocation of the cytoplasmic glucocorticoid receptor in the iris-ciliary body and adjacent corneoscleral tissue of the rabbit following topical administration of various glucocorticoids. A rapid screening method for glucocorticoid activity. Invest Ophthalmol Vis Sci. 1983 Feb;24(2):147-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C					7537	46506584	D02289	PA450346		DAP001048	Medrysone	CHEMBL1201173	29439
DB00255	Diethylstilbestrol	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	19101832; 15123288	"Authors unspecified: Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products. Int J Toxicol. 2008;27 Suppl 4:1-82. doi: 10.1080/10915810802548359.@@Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00255	Diethylstilbestrol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17306201; 17308373; 17314305; 17317669; 17320868; 20387803; 11752352	"Munoz G, Ovilo C, Estelle J, Silio L, Fernandez A, Rodriguez C: Association with litter size of new polymorphisms on ESR1 and ESR2 genes in a Chinese-European pig line. Genet Sel Evol. 2007 Mar-Apr;39(2):195-206. Epub 2007 Feb 17.@@Dixon A, Wells CC, Singh S, Babayan R, Maric C: Renoprotective effects of a selective estrogen receptor modulator, raloxifene, in an animal model of diabetic nephropathy. Am J Nephrol. 2007;27(2):120-8. Epub 2007 Feb 15.@@Hart SA, Snyder MA, Smejkalova T, Woolley CS: Estrogen mobilizes a subset of estrogen receptor-alpha-immunoreactive vesicles in inhibitory presynaptic boutons in hippocampal CA1. J Neurosci. 2007 Feb 21;27(8):2102-11.@@Baron S, Escande A, Alberola G, Bystricky K, Balaguer P, Richard-Foy H: Estrogen receptor alpha and the activating protein-1 complex cooperate during insulin-like growth factor-I-induced transcriptional activation of the pS2/TFF1 gene. J Biol Chem. 2007 Apr 20;282(16):11732-41. Epub 2007 Feb 22.@@Bains M, Cousins JC, Roberts JL: Neuroprotection by estrogen against MPP+-induced dopamine neuron death is mediated by ERalpha in primary cultures of mouse mesencephalon. Exp Neurol. 2007 Apr;204(2):767-76. Epub 2007 Jan 25.@@Kwok KC, Cheung NH: Measuring binding kinetics of ligands with tethered receptors by fluorescence polarization and total internal reflection fluorescence. Anal Chem. 2010 May 1;82(9):3819-25. doi: 10.1021/ac1002245.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00255	Diethylstilbestrol	BE0002088	ESRRG	P62508	ERR3_HUMAN	agonist	15161930; 10592235; 11297507	"Greschik H, Flaig R, Renaud JP, Moras D: Structural basis for the deactivation of the estrogen-related receptor gamma by diethylstilbestrol or 4-hydroxytamoxifen and determinants of selectivity. J Biol Chem. 2004 Aug 6;279(32):33639-46. Epub 2004 May 24.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguere V: Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta. Genes Dev. 2001 Apr 1;15(7):833-8."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00255	Diethylstilbestrol	BE0005001	ESRRB	O95718	ERR2_HUMAN		11297507	"Tremblay GB, Kunath T, Bergeron D, Lapointe L, Champigny C, Bader JA, Rossant J, Giguere V: Diethylstilbestrol regulates trophoblast stem cell differentiation as a ligand of orphan nuclear receptor ERR beta. Genes Dev. 2001 Apr 1;15(7):833-8."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00255	Diethylstilbestrol	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00255	Diethylstilbestrol	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Investigational; Withdrawn			"OATP1B1/SLCO1B1 Inhibitors; Stilbenes; Cytochrome P-450 CYP2E1 Inhibitors (strong); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Noxae; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Estrogen Contraceptives; Hormones; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Synthetic Estrogens, Plain; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Antineoplastic and Immunomodulating Agents; Stilbestrols; Endocrine Therapy; Estrogens; Hormones and Related Agents; Antineoplastic Agents, Hormonal; Toxic Actions; Contraceptive Agents, Female; Carcinogens; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1					7380	46507453	D00577	PA449307		DAP001011	Diethylstilbestrol	CHEMBL411	3390
DB00257	Clotrimazole	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	14977870; 15849716; 17998298; 20869355	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58.@@Smith CM, Faucette SR, Wang H, LeCluyse EL: Modulation of UDP-glucuronosyltransferase 1A1 in primary human hepatocytes by prototypical inducers. J Biochem Mol Toxicol. 2005;19(2):96-108.@@Svecova L, Vrzal R, Burysek L, Anzenbacherova E, Cerveny L, Grim J, Trejtnar F, Kunes J, Pour M, Staud F, Anzenbacher P, Dvorak Z, Pavek P: Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug Metab Dispos. 2008 Feb;36(2):339-48. Epub 2007 Nov 12.@@Dring AM, Anderson LE, Qamar S, Stoner MA: Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. Chem Biol Interact. 2010 Dec 5;188(3):512-25. doi: 10.1016/j.cbi.2010.09.018. Epub 2010 Oct 20."	Approved; Vet_approved	Triphenyl compounds	Organic compounds; Benzenoids; Triphenyl compounds	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Imidazole Derivatives; OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inducers; Cytochrome P-450 CYP2E1 Inhibitors (moderate); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Cytochrome P-450 CYP3A Inducers (strong); Dermatologicals; Hormone Antagonists; P-glycoprotein inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Antifungal Agents; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Antifungals for Dermatological Use; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Imidazole and Triazole Derivatives; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A7 Inducers (weak); P-glycoprotein inhibitors; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inducers (strong); Antifungal Agents (Vaginal); Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Gynecological Antiinfectives and Antiseptics; Anti-Infective Agents, Local; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1					2375	46507927	D00282	PA449057		DAP000138	Clotrimazole	CHEMBL104	2623
DB00261	Anagrelide	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	2846839; 31598394	"Venuti MC, Stephenson RA, Alvarez R, Bruno JJ, Strosberg AM: Inhibitors of cyclic AMP phosphodiesterase. 3. Synthesis and biological evaluation of pyrido and imidazolyl analogues of 1,2,3,5-tetrahydro-2-oxoimidazo[2,1-b]quinazoline. J Med Chem. 1988 Nov;31(11):2136-45.@@An R, Liu J, He J, Wang F, Zhang Q, Yu Q: PDE3A inhibitor anagrelide activates death signaling pathway genes and synergizes with cell death-inducing cytokines to selectively inhibit cancer cell growth. Am J Cancer Res. 2019 Sep 1;9(9):1905-1921. eCollection 2019."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP1A2 Inhibitors (weak); QTc Prolonging Agents; Agents producing tachycardia; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Decreased Platelet Production; Cytochrome P-450 CYP1A2 Inhibitors; Antiplatelet agents; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Phosphodiesterase Inhibitors; Thrombocytosis; Antineoplastic and Immunomodulating Agents; Phosphodiesterase 3 Inhibitors; Platelet-reducing Agents; Highest Risk QTc-Prolonging Agents; Hematologic Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl					11707	46508863	D07455	PA164742986		DAP000612	Anagrelide	CHEMBL760	596724
DB00262	Carmustine	BE0000648	GSR	P00390	GSHR_HUMAN	inhibitor	10378469; 12477282; 1312851; 1394620; 15104113; 15321730; 3806383; 6094175	"Akella SS, Harris C: Pyridine nucleotide flux and glutathione oxidation in the cultured rat conceptus. Reprod Toxicol. 1999 May-Jun;13(3):203-13.@@Kirsch JD, Yi AK, Spitz DR, Krieg AM: Accumulation of glutathione disulfide mediates NF-kappaB activation during immune stimulation with CpG DNA. Antisense Nucleic Acid Drug Dev. 2002 Oct;12(5):327-40.@@Vallyathan V, Mega JF, Shi X, Dalal NS: Enhanced generation of free radicals from phagocytes induced by mineral dusts. Am J Respir Cell Mol Biol. 1992 Apr;6(4):404-13.@@Brodie AE, Reed DJ: Glutathione disulfide reduction in tumor mitochondria after t-butyl hydroperoxide treatment. Chem Biol Interact. 1992 Sep 28;84(2):125-32.@@Jopperi-Davis KS, Park MS, Rogers LK, Backes CH Jr, Lim IK, Smith CV: Compartmental inhibition of hepatic glutathione reductase activities by 1,3-bis(2-chloroethyl)-N-nitrosourea (BCNU) in Sprague-Dawley and Fischer-344 rats. Toxicol Lett. 2004 Mar 7;147(3):219-28.@@Doroshenko N, Doroshenko P: The glutathione reductase inhibitor carmustine induces an influx of Ca2+ in PC12 cells. Eur J Pharmacol. 2004 Aug 16;497(1):17-24.@@Powell SR, Puglia CD: Effect of inhibition of glutathione reductase by carmustine on central nervous system oxygen toxicity. J Pharmacol Exp Ther. 1987 Jan;240(1):111-7.@@Puglia CD, Powell SR: Inhibition of cellular antioxidants: a possible mechanism of toxic cell injury. Environ Health Perspect. 1984 Aug;57:307-11."	Approved; Investigational	Nitrosoureas	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas	"Nitroso Compounds; Myelosuppressive Agents; Alkylating Activity; Amides; Noxae; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Drugs that are Mainly Renally Excreted; Nitrosourea Compounds; Antineoplastic Agents; Nitrosoureas; Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs; Toxic Actions; Cytochrome P-450 CYP1A2 Substrates"	ClCCNC(=O)N(CCCl)N=O					2418	46506980	D00254	PA448810		DAP000041	Carmustine	CHEMBL513	2105
DB00268	Ropinirole	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132; 10641988; 19503779; 19557097	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Nashatizadeh MM, Lyons KE, Pahwa R: A review of ropinirole prolonged release in Parkinson's disease. Clin Interv Aging. 2009;4:179-86. Epub 2009 May 14.@@Shill HA, Stacy M: Update on ropinirole in the treatment of Parkinson's disease. Neuropsychiatr Dis Treat. 2009;5:33-6. Epub 2009 Apr 8."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Hypotensive Agents; Nonergot-derivative Dopamine Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Central Nervous System Agents; Cytochrome P-450 Substrates; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists"	CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1					11516	46507918	D08489	PA164749035		DAP001515	Ropinirole	CHEMBL589	72302
DB00268	Ropinirole	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	1683559; 10446316; 18691132; 10641988; 17573046; 19557097	"de Mey C, Enterling D, Meineke I, Yeulet S: Interactions between domperidone and ropinirole, a novel dopamine D2-receptor agonist. Br J Clin Pharmacol. 1991 Oct;32(4):483-8.@@Iida M, Miyazaki I, Tanaka K, Kabuto H, Iwata-Ichikawa E, Ogawa N: Dopamine D2 receptor-mediated antioxidant and neuroprotective effects of ropinirole, a dopamine agonist. Brain Res. 1999 Aug 14;838(1-2):51-9.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Matsukawa N, Maki M, Yasuhara T, Hara K, Yu G, Xu L, Kim KM, Morgan JC, Sethi KD, Borlongan CV: Overexpression of D2/D3 receptors increases efficacy of ropinirole in chronically 6-OHDA-lesioned Parkinsonian rats. Brain Res. 2007 Jul 30;1160:113-23. Epub 2007 May 26.@@Shill HA, Stacy M: Update on ropinirole in the treatment of Parkinson's disease. Neuropsychiatr Dis Treat. 2009;5:33-6. Epub 2009 Apr 8."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Hypotensive Agents; Nonergot-derivative Dopamine Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Central Nervous System Agents; Cytochrome P-450 Substrates; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists"	CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1					11516	46507918	D08489	PA164749035		DAP001515	Ropinirole	CHEMBL589	72302
DB00269	Chlorotrianisene	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	2307235; 6872937; 17236558; 11752352	"Kupfer D, Bulger WH: Inactivation of the uterine estrogen receptor binding of estradiol during P-450 catalyzed metabolism of chlorotrianisene (TACE). Speculation that TACE antiestrogenic activity involves covalent binding to the estrogen receptor. FEBS Lett. 1990 Feb 12;261(1):59-62.@@Jordan VC, Gosden B: Inhibition of the uterotropic activity of estrogens and antiestrogens by the short acting antiestrogen LY117018. Endocrinology. 1983 Aug;113(2):463-8.@@Wang JY, Xu BH, Tian LJ, Wang Y: [Clinical characteristics and potential prognostic factors of breast cancer patients with liver metastases]. Zhonghua Zhong Liu Za Zhi. 2006 Aug;28(8):612-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational; Withdrawn	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Estrogens, Non-Steroidal; Stilbenes; Estrogens; Benzylidene Compounds; Antineoplastic Agents, Hormonal; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Natural and Semisynthetic Estrogens, Plain; Antineoplastic Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1						46508811	D00269	PA164768822		DAP001012	Chlorotrianisene	CHEMBL1200761	2397
DB00270	Isradipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	10766758; 12135765; 9607315	"Berjukow S, Marksteiner R, Gapp F, Sinnegger MJ, Hering S: Molecular mechanism of calcium channel block by isradipine. Role of a drug-induced inactivated channel conformation. J Biol Chem. 2000 Jul 21;275(29):22114-20.@@Hitzl M, Striessnig J, Neuhuber B, Flucher BE: A mutation in the beta interaction domain of the Ca(2+) channel alpha(1C) subunit reduces the affinity of the (+)-[(3)H]isradipine binding site. FEBS Lett. 2002 Jul 31;524(1-3):188-92.@@Zuhlke RD, Bouron A, Soldatov NM, Reuter H: Ca2+ channel sensitivity towards the blocker isradipine is affected by alternative splicing of the human alpha1C subunit gene. FEBS Lett. 1998 May 8;427(2):220-4."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00270	Isradipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	17016423; 17139284; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00270	Isradipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00270	Isradipine	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN	inhibitor	1281221; 18974361	"Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00270	Isradipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	11285265; 19029287	"Koschak A, Reimer D, Huber I, Grabner M, Glossmann H, Engel J, Striessnig J: alpha 1D (Cav1.3) subunits can form l-type Ca2+ channels activating at negative voltages. J Biol Chem. 2001 Jun 22;276(25):22100-6. Epub 2001 Apr 2.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00272	Betazole	BE0000112	HRH2	P25021	HRH2_HUMAN	agonist	2892392; 3661710; 2886642; 2874214; 7213132; 11752352	"Hammond JB, Offen WW: Effect of nizatidine and cimetidine on betazole-stimulated gastric secretion of normal subjects: comparison of effects on acid, water, and pepsin. Am J Gastroenterol. 1988 Jan;83(1):32-6.@@Leth R, Elander B, Haglund U, Olbe L, Fellenius E: Histamine H2-receptor of human and rabbit parietal cells. Am J Physiol. 1987 Oct;253(4 Pt 1):G497-501.@@Katz LB, Tobia AJ, Shriver DA: Effects of ORF 17583, other histamine H2-receptor antagonists and omeprazole on gastric acid secretory states in rats and dogs. J Pharmacol Exp Ther. 1987 Aug;242(2):437-42.@@Katz LB, Scott CK, Shriver DA: Pharmacological comparison of ORF 17910, a potent, long-acting histamine H2-receptor antagonist, to cimetidine and ranitidine. J Pharmacol Exp Ther. 1986 Aug;238(2):587-93.@@Ribeiro TC, Salgado JA, Castro Lde P: Effect of cimetidine on basal and betazole-stimulated gastric acid secretion in peptic ulcer. Arq Gastroenterol. 1980 Jan-Mar;17(1):4-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	2-arylethylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Diagnostic Agents; Histamine Agonists; Pyrazoles; Tests for Gastric Secretion; Neurotransmitter Agents; Histamine Agents; Gastrointestinal Agents	NCCC1=CC=NN1		Betazole Action Pathway	drug_action			46506808		PA164784036		DAP001081	Betazole	CHEMBL1201323	
DB00273	Topiramate	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	11948006; 15526956; 12861512	"Coppola G, Capovilla G, Montagnini A, Romeo A, Spano M, Tortorella G, Veggiotti P, Viri M, Pascotto A: Topiramate as add-on drug in severe myoclonic epilepsy in infancy: an Italian multicenter open trial. Epilepsy Res. 2002 Mar;49(1):45-8.@@Ceulemans B, Boel M, Claes L, Dom L, Willekens H, Thiry P, Lagae L: Severe myoclonic epilepsy in infancy: toward an optimal treatment. J Child Neurol. 2004 Jul;19(7):516-21.@@Nieto Barrera M, Candau Fernandez Mensaque R, Nieto Jimenez M: [Severe myoclonic epilepsy in infancy (Dravet's syndrome). Its nosological characteristics and therapeutic aspects]. Rev Neurol. 2003 Jul 1-15;37(1):64-8."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00273	Topiramate	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	14684331; 10768298; 11784136; 14971907	"Abbate F, Casini A, Owa T, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: E7070, a sulfonamide anticancer agent, potently inhibits cytosolic isozymes I and II, and transmembrane, tumor-associated isozyme IX. Bioorg Med Chem Lett. 2004 Jan 5;14(1):217-23.@@Dodgson SJ, Shank RP, Maryanoff BE: Topiramate as an inhibitor of carbonic anhydrase isoenzymes. Epilepsia. 2000;41 Suppl 1:S35-9. doi: 10.1111/j.1528-1157.2000.tb06047.x.@@Masereel B, Rolin S, Abbate F, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties. J Med Chem. 2002 Jan 17;45(2):312-20.@@Vullo D, Franchi M, Gallori E, Antel J, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem. 2004 Feb 26;47(5):1272-9."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00273	Topiramate	BE0009739	CACNA1C	O00305	CACB4_HUMAN	antagonist	19412496	"Mula M, Cavanna AE, Monaco F: Psychopharmacology of topiramate: from epilepsy to bipolar disorder. Neuropsychiatr Dis Treat. 2006 Dec;2(4):475-88. doi: 10.2147/nedt.2006.2.4.475."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00273	Topiramate	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	17826101; 10768298	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25.@@Dodgson SJ, Shank RP, Maryanoff BE: Topiramate as an inhibitor of carbonic anhydrase isoenzymes. Epilepsia. 2000;41 Suppl 1:S35-9. doi: 10.1111/j.1528-1157.2000.tb06047.x."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00273	Topiramate	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101; 1261790; 10768298	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25.@@Lehmann WD, Neumann GK, Kessler KF, Jonatha WD: [Frequency of obstetrical operations and perinatal mortality before and after admission of continuous fetal monitoring (author's transl)]. Geburtshilfe Frauenheilkd. 1976 Mar;36(3):247-55.@@Dodgson SJ, Shank RP, Maryanoff BE: Topiramate as an inhibitor of carbonic anhydrase isoenzymes. Epilepsia. 2000;41 Suppl 1:S35-9. doi: 10.1111/j.1528-1157.2000.tb06047.x."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00273	Topiramate	BE0008718	CACNA1E	Q15878	CAC1E_HUMAN	antagonist	27843503; 15816941; 27437073	"Wormuth C, Lundt A, Henseler C, Muller R, Broich K, Papazoglou A, Weiergraber M: Review: Cav2.3 R-type Voltage-Gated Ca(2+) Channels - Functional Implications in Convulsive and Non-convulsive Seizure Activity. Open Neurol J. 2016 Sep 30;10:99-126. doi: 10.2174/1874205X01610010099. eCollection 2016.@@Kuzmiski JB, Barr W, Zamponi GW, MacVicar BA: Topiramate inhibits the initiation of plateau potentials in CA1 neurons by depressing R-type calcium channels. Epilepsia. 2005 Apr;46(4):481-9. doi: 10.1111/j.0013-9580.2005.35304.x.@@Maryanoff BE: Phenotypic Assessment and the Discovery of Topiramate. ACS Med Chem Lett. 2016 Jun 13;7(7):662-5. doi: 10.1021/acsmedchemlett.6b00176. eCollection 2016 Jul 14."	Approved	Dioxolopyrans	Organic compounds; Organoheterocyclic compounds; Dioxolopyrans	"Ketoses; Carbohydrates; Centrally Acting Antiobesity Products; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Alimentary Tract and Metabolism; Antiobesity Preparations, Excl. Diet Products; Hexoses; Cytochrome P-450 CYP3A4 Inducers (weak); Central Nervous System Agents; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monosaccharides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Neuroprotective Agents"	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2					11384	46508334	D00537	PA451728		DAP000137	Topiramate	CHEMBL220492	38404
DB00277	Theophylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	14992338; 3588607	"Nantwi KD, Basura GJ, Goshgarian HG: Adenosine A1 receptor mRNA expression and the effects of systemic theophylline administration on respiratory function 4 months after C2 hemisection. J Spinal Cord Med. 2003 Winter;26(4):364-71.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0000241	ADORA2B	P29275	AA2BR_HUMAN	antagonist	11752352; 16545350; 16581066; 12954362; 15980878; 3588607	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Philipp S, Yang XM, Cui L, Davis AM, Downey JM, Cohen MV: Postconditioning protects rabbit hearts through a protein kinase C-adenosine A2b receptor cascade. Cardiovasc Res. 2006 May 1;70(2):308-14. Epub 2006 Feb 23.@@Phelps PT, Anthes JC, Correll CC: Characterization of adenosine receptors in the human bladder carcinoma T24 cell line. Eur J Pharmacol. 2006 Apr 24;536(1-2):28-37. Epub 2006 Mar 3.@@Fozard JR, Baur F, Wolber C: Antagonist pharmacology of adenosine A2B receptors from rat, guinea pig and dog. Eur J Pharmacol. 2003 Aug 15;475(1-3):79-84.@@Holgate ST: The Quintiles Prize Lecture 2004. The identification of the adenosine A2B receptor as a novel therapeutic target in asthma. Br J Pharmacol. 2005 Aug;145(8):1009-15.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	15639300	Lipworth BJ: Phosphodiesterase-4 inhibitors for asthma and chronic obstructive pulmonary disease. Lancet. 2005 Jan 8-14;365(9454):167-75.	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	12421478; 12547256; 12887610; 15253881; 15351234	"Wang K, Chen JQ, Chen Z, Chen JC: Inhibition of human phosphodiesterase 4A expressed in yeast cell GL62 by theophylline, rolipram, and acetamide-45. Acta Pharmacol Sin. 2002 Nov;23(11):1013-7.@@Haider S: Cyclic AMP level and phosphodiesterase activity during 17alpha,20beta-dihydroxy-4-pregnen-3-one induction and theophylline inhibition of oocyte maturation in the catfish, Clarias batrachus. Comp Biochem Physiol A Mol Integr Physiol. 2003 Feb;134(2):267-74.@@Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Usta C, Sadan G, Tuncel B: The effect of the indomethacin on phosphodiesterase inhibitors mediated responses in isolated trachea preparations. Prostaglandins Leukot Essent Fatty Acids. 2004 Sep;71(3):137-41.@@Lee JM, Zemans RL, Hejazi M, Chin BB, Ladenson PW, Caturegli P: Modulation of thyroidal radioiodine uptake by theophylline. Exp Mol Pathol. 2004 Oct;77(2):116-20."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	12887610; 15237094; 16651698	"Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Wu BN, Lin RJ, Lo YC, Shen KP, Wang CC, Lin YT, Chen IJ: KMUP-1, a xanthine derivative, induces relaxation of guinea-pig isolated trachea: the role of the epithelium, cyclic nucleotides and K+ channels. Br J Pharmacol. 2004 Aug;142(7):1105-14. Epub 2004 Jul 5.@@Kajikawa S, Kigami D, Nakayama H, Doi K: Changes in submaxillary gland gene expression in F344 rats by multiple dosing of theophylline. Exp Anim. 2006 Apr;55(2):143-6."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	activator	12070353; 15337792	"Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17.@@Cosio BG, Tsaprouni L, Ito K, Jazrawi E, Adcock IM, Barnes PJ: Theophylline restores histone deacetylase activity and steroid responses in COPD macrophages. J Exp Med. 2004 Sep 6;200(5):689-95. Epub 2004 Aug 30."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0009003	HM13	Q8TCT9	HM13_HUMAN		18951874	"Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0009004	NOMO1	Q15155	NOMO1_HUMAN		18951874	"Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0001717	PARP1	P09874	PARP1_HUMAN		18951874	"Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00277	Theophylline	BE0009006	TTLL3	Q9Y4R7	TTLL3_HUMAN		18951874	"Marwick JA, Wallis G, Meja K, Kuster B, Bouwmeester T, Chakravarty P, Fletcher D, Whittaker PA, Barnes PJ, Ito K, Adcock IM, Kirkham PA: Oxidative stress modulates theophylline effects on steroid responsiveness. Biochem Biophys Res Commun. 2008 Dec 19;377(3):797-802. doi: 10.1016/j.bbrc.2008.10.065. Epub 2008 Oct 23."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Alkaloids; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Xanthine derivatives; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Phosphodiesterase 5 Inhibitors; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Purinergic Antagonists"	CN1C2=C(NC=N2)C(=O)N(C)C1=O		Caffeine Metabolism	metabolic		231	46505949	D00371	PA451647		DAP000002	Theophylline	CHEMBL190	10438
DB00279	Liothyronine	BE0000315	THRB	P10828	THB_HUMAN	agonist	17315033; 12668276; 17016423; 17139284; 12776178; 10592235; 16099238; 11159893	"Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94.@@Kullak-Ublick GA, Ismair MG, Stieger B, Landmann L, Huber R, Pizzagalli F, Fattinger K, Meier PJ, Hagenbuch B: Organic anion-transporting polypeptide B (OATP-B) and its functional comparison with three other OATPs of human liver. Gastroenterology. 2001 Feb;120(2):525-33."	Approved; Vet_approved	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Thyroxine-binding globulin substrates; OAT3/SLC22A8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Triiodothyronine; OATP1B3 substrates; l-Triiodothyronine; Agents used to treat hypothyroidism; Thyroid Products; Thyronines; OATP1B1/SLCO1B1 Substrates; UGT1A1 Substrates; P-glycoprotein inducers; Drugs that are Mainly Renally Excreted; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O		Thyroid Hormone Synthesis	metabolic		9950	46506352		PA164778866		DAP000082	Liothyronine	CHEMBL1544	10814
DB00280	Disopyramide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	15897781; 15028073; 11196553; 11752352	"Sugao M, Fujiki A, Nishida K, Sakabe M, Tsuneda T, Iwamoto J, Mizumaki K, Inoue H: Repolarization dynamics in patients with idiopathic ventricular fibrillation: pharmacological therapy with bepridil and disopyramide. J Cardiovasc Pharmacol. 2005 Jun;45(6):545-9.@@Fujiki A, Sugao M, Nishida K, Sakabe M, Tsuneda T, Mizumaki K, Inoue H: Repolarization abnormality in idiopathic ventricular fibrillation: assessment using 24-hour QT-RR and QaT-RR relationships. J Cardiovasc Electrophysiol. 2004 Jan;15(1):59-63.@@Shimizu W, Antzelevitch C, Suyama K, Kurita T, Taguchi A, Aihara N, Takaki H, Sunagawa K, Kamakura S: Effect of sodium channel blockers on ST segment, QRS duration, and corrected QT interval in patients with Brugada syndrome. J Cardiovasc Electrophysiol. 2000 Dec;11(12):1320-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates"	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C		Disopyramide Action Pathway	drug_action		2191	46508226	D00303	PA449373		DAP000504	Disopyramide	CHEMBL517	3541
DB00280	Disopyramide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	10413067; 1690310	"Yamamoto N, Ozaki T, Keida Y, Ohtsuka M, Goto T: A comparison of the binding characteristics of class I antiarrhythmic agents for human muscarinic m1-m3 receptors. J Cardiovasc Pharmacol. 1999 Jul;34(1):53-9.@@Ishida Y, Mizukami M, Taniguchi T, Satake N, Fujiwara M, Shibata S: Anticholinergic action of disopyramide in intestinal smooth muscle of the guinea pig: inhibition of muscarinic receptors (M1 and M2). Jpn J Pharmacol. 1990 Feb;52(2):363-70."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates"	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C		Disopyramide Action Pathway	drug_action		2191	46508226	D00303	PA449373		DAP000504	Disopyramide	CHEMBL517	3541
DB00280	Disopyramide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	10413067	"Yamamoto N, Ozaki T, Keida Y, Ohtsuka M, Goto T: A comparison of the binding characteristics of class I antiarrhythmic agents for human muscarinic m1-m3 receptors. J Cardiovasc Pharmacol. 1999 Jul;34(1):53-9."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates"	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C		Disopyramide Action Pathway	drug_action		2191	46508226	D00303	PA449373		DAP000504	Disopyramide	CHEMBL517	3541
DB00280	Disopyramide	BE0003603	KCND2	Q9NZV8	KCND2_HUMAN	inhibitor	9781919	"Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates"	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C		Disopyramide Action Pathway	drug_action		2191	46508226	D00303	PA449373		DAP000504	Disopyramide	CHEMBL517	3541
DB00280	Disopyramide	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	inhibitor	9781919	"Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Sodium Channel Blockers; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ia; Agents producing tachycardia; Blood Glucose Lowering Agents; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Negative Inotrope; Membrane Transport Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Muscarinic Antagonists; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates"	CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C		Disopyramide Action Pathway	drug_action		2191	46508226	D00303	PA449373		DAP000504	Disopyramide	CHEMBL517	3541
DB00281	Lidocaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17077153; 19088384; 20585544	"Ekberg J, Jayamanne A, Vaughan CW, Aslan S, Thomas L, Mould J, Drinkwater R, Baker MD, Abrahamsen B, Wood JN, Adams DJ, Christie MJ, Lewis RJ: muO-conotoxin MrVIB selectively blocks Nav1.8 sensory neuron specific sodium channels and chronic pain behavior without motor deficits. Proc Natl Acad Sci U S A. 2006 Nov 7;103(45):17030-5. Epub 2006 Oct 31.@@Muroi Y, Chanda B: Local anesthetics disrupt energetic coupling between the voltage-sensing segments of a sodium channel. J Gen Physiol. 2009 Jan;133(1):1-15. doi: 10.1085/jgp.200810103. Epub 2008 Dec 15.@@Karoly R, Lenkey N, Juhasz AO, Vizi ES, Mike A: Fast- or slow-inactivated state preference of Na+ channel inhibitors: a simulation and experimental study. PLoS Comput Biol. 2010 Jun 17;6(6):e1000818. doi: 10.1371/journal.pcbi.1000818."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00281	Lidocaine	BE0001143	SCN9A	Q15858	SCN9A_HUMAN	inhibitor	17430993; 19088384; 20585544	"Sheets PL, Jackson JO 2nd, Waxman SG, Dib-Hajj SD, Cummins TR: A Nav1.7 channel mutation associated with hereditary erythromelalgia contributes to neuronal hyperexcitability and displays reduced lidocaine sensitivity. J Physiol. 2007 Jun 15;581(Pt 3):1019-31. Epub 2007 Apr 12.@@Muroi Y, Chanda B: Local anesthetics disrupt energetic coupling between the voltage-sensing segments of a sodium channel. J Gen Physiol. 2009 Jan;133(1):1-15. doi: 10.1085/jgp.200810103. Epub 2008 Dec 15.@@Karoly R, Lenkey N, Juhasz AO, Vizi ES, Mike A: Fast- or slow-inactivated state preference of Na+ channel inhibitors: a simulation and experimental study. PLoS Comput Biol. 2010 Jun 17;6(6):e1000818. doi: 10.1371/journal.pcbi.1000818."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00281	Lidocaine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17445919; 16686685; 17016511; 16840798; 19088384; 20585544	"Itoh H, Tsuji K, Sakaguchi T, Nagaoka I, Oka Y, Nakazawa Y, Yao T, Jo H, Ashihara T, Ito M, Horie M, Imoto K: A paradoxical effect of lidocaine for the N406S mutation of SCN5A associated with Brugada syndrome. Int J Cardiol. 2007 Oct 18;121(3):239-48. Epub 2007 Apr 18.@@Fedida D, Orth PM, Hesketh JC, Ezrin AM: The role of late I and antiarrhythmic drugs in EAD formation and termination in Purkinje fibers. J Cardiovasc Electrophysiol. 2006 May;17 Suppl 1:S71-S78.@@Wallace CH, Baczko I, Jones L, Fercho M, Light PE: Inhibition of cardiac voltage-gated sodium channels by grape polyphenols. Br J Pharmacol. 2006 Nov;149(6):657-65. Epub 2006 Oct 3.@@Cerne A, Bergh C, Borg K, Ek I, Gejervall AL, Hillensjo T, Olofsson JI, Stener-Victorin E, Wood M, Westlander G: Pre-ovarian block versus paracervical block for oocyte retrieval. Hum Reprod. 2006 Nov;21(11):2916-21. Epub 2006 Jul 13.@@Muroi Y, Chanda B: Local anesthetics disrupt energetic coupling between the voltage-sensing segments of a sodium channel. J Gen Physiol. 2009 Jan;133(1):1-15. doi: 10.1085/jgp.200810103. Epub 2008 Dec 15.@@Karoly R, Lenkey N, Juhasz AO, Vizi ES, Mike A: Fast- or slow-inactivated state preference of Na+ channel inhibitors: a simulation and experimental study. PLoS Comput Biol. 2010 Jun 17;6(6):e1000818. doi: 10.1371/journal.pcbi.1000818."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00281	Lidocaine	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	16551906	"Sakaguchi M, Kuroda Y, Hirose M: The antiproliferative effect of lidocaine on human tongue cancer cells with inhibition of the activity of epidermal growth factor receptor. Anesth Analg. 2006 Apr;102(4):1103-7."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00281	Lidocaine	BE0002083	SCN4A	P35499	SCN4A_HUMAN		14662728	"Leuwer M, Haeseler G, Hecker H, Bufler J, Dengler R, Aronson JK: An improved model for the binding of lidocaine and structurally related local anaesthetics to fast-inactivated voltage-operated sodium channels, showing evidence of cooperativity. Br J Pharmacol. 2004 Jan;141(1):47-54. Epub 2003 Dec 8."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00283	Clemastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 2890562; 6701456; 6387510; 1678430; 7513381; 4074605; 6449094; 1266718; 8930778	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Taniguchi K, Urakami M, Takanaka K: [Effects of antiallergic agents on polymorphonuclear leukocytes. The inhibition of arachidonic acid release and superoxide production]. Nihon Yakurigaku Zasshi. 1987 Aug;90(2):97-103.@@Hallberg T, Dohlsten M, Baldetorp B: Demonstration of histamine receptors on human platelets by flow cytometry. Scand J Haematol. 1984 Feb;32(2):113-8.@@Dorsch W, Hintschich C, Neuhauser J, Weber J: Sequential histamine inhalations cause increased bronchial histamine reactivity in guinea pigs: role of platelets, thromboxanes and prostacyclin. Naunyn Schmiedebergs Arch Pharmacol. 1984 Sep;327(2):148-55.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93.@@Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Thomas RH, Browne PD, Kirby JD: The influence of ranitidine, alone and in combination with clemastine, on histamine-mediated cutaneous weal and flare reactions in human skin. Br J Clin Pharmacol. 1985 Oct;20(4):377-82.@@Thomson NC, Kerr JW: Effect of inhaled H1 and H2 receptor antagonist in normal and asthmatic subjects. Thorax. 1980 Jun;35(6):428-34.@@Hayashi H, Okajima M, Yamada K: Atrial T (Ta) loop in dogs with or without atrial injury. Am Heart J. 1976 May;91(5):607-17.@@Schran HF, Petryk L, Chang CT, O'Connor R, Gelbert MB: The pharmacokinetics and bioavailability of clemastine and phenylpropanolamine in single-component and combination formulations. J Clin Pharmacol. 1996 Oct;36(10):911-22."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Dermatologicals; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Pyrrolidines; Antipruritics; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use"	CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1		Clemastine H1-Antihistamine Action	drug_action		3981	46506492	D03535	PA164776997		DAP000322	Clemastine	CHEMBL1626	2578
DB00284	Acarbose	BE0000837	MGAM	O43451	MGA_HUMAN	inhibitor	16702880; 19275550; 8893066	"Zhang H, Kallwass H, Young SP, Carr C, Dai J, Kishnani PS, Millington DS, Keutzer J, Chen YT, Bali D: Comparison of maltose and acarbose as inhibitors of maltase-glucoamylase activity in assaying acid alpha-glucosidase activity in dried blood spots for the diagnosis of infantile Pompe disease. Genet Med. 2006 May;8(5):302-6.@@Yamagishi S, Matsui T, Ueda S, Fukami K, Okuda S: Clinical utility of acarbose, an alpha-glucosidase inhibitor in cardiometabolic disorders. Curr Drug Metab. 2009 Feb;10(2):159-63.@@Martin AE, Montgomery PA: Acarbose: an alpha-glucosidase inhibitor. Am J Health Syst Pharm. 1996 Oct 1;53(19):2277-90; quiz 2336-7. doi: 10.1093/ajhp/53.19.2277."	Approved; Investigational	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO					917	46508248	D00216	PA448010		DCL000309	Acarbose	CHEMBL1566	16681
DB00284	Acarbose	BE0001176	SI	P14410	SUIS_HUMAN	inhibitor	12864906; 2962844; 8893066	"Juretic D, Bernik S, Cop L, Hadzija M, Petlevski R, Lukac-Bajalo J: Short-term effect of acarbose on specific intestinal disaccharidase activities and hyperglycaemia in CBA diabetic mice. J Anim Physiol Anim Nutr (Berl). 2003 Aug;87(7-8):263-8.@@Samulitis BK, Goda T, Lee SM, Koldovsky O: Inhibitory mechanism of acarbose and 1-deoxynojirimycin derivatives on carbohydrases in rat small intestine. Drugs Exp Clin Res. 1987;13(8):517-24.@@Martin AE, Montgomery PA: Acarbose: an alpha-glucosidase inhibitor. Am J Health Syst Pharm. 1996 Oct 1;53(19):2277-90; quiz 2336-7. doi: 10.1093/ajhp/53.19.2277."	Approved; Investigational	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO					917	46508248	D00216	PA448010		DCL000309	Acarbose	CHEMBL1566	16681
DB00284	Acarbose	BE0002639	AMY2A	P04746	AMYP_HUMAN	inhibitor	8893066	"Martin AE, Montgomery PA: Acarbose: an alpha-glucosidase inhibitor. Am J Health Syst Pharm. 1996 Oct 1;53(19):2277-90; quiz 2336-7. doi: 10.1093/ajhp/53.19.2277."	Approved; Investigational	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO					917	46508248	D00216	PA448010		DCL000309	Acarbose	CHEMBL1566	16681
DB00284	Acarbose	BE0000876	GAA	P10253	LYAG_HUMAN	inhibitor	11404235; 16702880; 16763908; 3539207; 2776140; 32672281	"Salehi A, Fan BG, Ekelund M, Nordin G, Lundquist I: TPN-evoked dysfunction of islet lysosomal activity mediates impairment of glucose-stimulated insulin release. Am J Physiol Endocrinol Metab. 2001 Jul;281(1):E171-9.@@Zhang H, Kallwass H, Young SP, Carr C, Dai J, Kishnani PS, Millington DS, Keutzer J, Chen YT, Bali D: Comparison of maltose and acarbose as inhibitors of maltase-glucoamylase activity in assaying acid alpha-glucosidase activity in dried blood spots for the diagnosis of infantile Pompe disease. Genet Med. 2006 May;8(5):302-6.@@Gelb MH, Turecek F, Scott CR, Chamoles NA: Direct multiplex assay of enzymes in dried blood spots by tandem mass spectrometry for the newborn screening of lysosomal storage disorders. J Inherit Metab Dis. 2006 Apr-Jun;29(2-3):397-404.@@Bourbon JR, Doucet E, Rieutort M: Role of alpha-glucosidase in fetal lung maturation. Biochim Biophys Acta. 1987 Jan 13;917(1):203-10.@@Calder PC, Geddes R: Acarbose is a competitive inhibitor of mammalian lysosomal acid alpha-D-glucosidases. Carbohydr Res. 1989 Aug 1;191(1):71-8. doi: 10.1016/0008-6215(89)85047-5.@@Wang M, Wang M, Zhang F, Su X: A ratiometric fluorescent biosensor for the sensitive determination of alpha-glucosidase activity and acarbose based on N-doped carbon dots. Analyst. 2020 Aug 24;145(17):5808-5815. doi: 10.1039/d0an01065k."	Approved; Investigational	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Drugs Used in Diabetes; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Trisaccharides; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO					917	46508248	D00216	PA448010		DCL000309	Acarbose	CHEMBL1566	16681
DB00285	Venlafaxine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	15695064; 16140280; 17224717; 9305421; 9537821; 19728573; 10884561; 19238127; 15910402; 11750180	"Chen F, Larsen MB, Sanchez C, Wiborg O: The S-enantiomer of R,S-citalopram, increases inhibitor binding to the human serotonin transporter by an allosteric mechanism. Comparison with other serotonin transporter inhibitors. Eur Neuropsychopharmacol. 2005 Mar;15(2):193-8.@@Gould GG, Altamirano AV, Javors MA, Frazer A: A comparison of the chronic treatment effects of venlafaxine and other antidepressants on serotonin and norepinephrine transporters. Biol Psychiatry. 2006 Mar 1;59(5):408-14. Epub 2005 Sep 2.@@Shang Y, Gibbs MA, Marek GJ, Stiger T, Burstein AH, Marek K, Seibyl JP, Rogers JF: Displacement of serotonin and dopamine transporters by venlafaxine extended release capsule at steady state: a [123I]2beta-carbomethoxy-3beta-(4-iodophenyl)-tropane single photon emission computed tomography imaging study. J Clin Psychopharmacol. 2007 Feb;27(1):71-5.@@Malizia AL, Melichar JM, Brown DJ, Gunn RN, Reynolds A, Jones T, Nutt DJ: Demonstration of clomipramine and venlafaxine occupation at serotonin reuptake sites in man in vivo. J Psychopharmacol. 1997;11(3):279-81.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Van Ameringen M, Mancini C, Patterson B, Simpson W: Pharmacotherapy for social anxiety disorder: an update. Isr J Psychiatry Relat Sci. 2009;46(1):53-61.@@Beique J, de Montigny C, Blier P, Debonnel G: Effects of sustained administration of the serotonin and norepinephrine reuptake inhibitor venlafaxine: I. in vivo electrophysiological studies in the rat. Neuropharmacology. 2000 Jul 24;39(10):1800-12.@@Westenberg HG: Recent advances in understanding and treating social anxiety disorder. CNS Spectr. 2009 Feb;14(2 Suppl 3):24-33.@@Sindrup SH, Otto M, Finnerup NB, Jensen TS: Antidepressants in the treatment of neuropathic pain. Basic Clin Pharmacol Toxicol. 2005 Jun;96(6):399-409.@@Bymaster FP, Dreshfield-Ahmad LJ, Threlkeld PG, Shaw JL, Thompson L, Nelson DL, Hemrick-Luecke SK, Wong DT: Comparative affinity of duloxetine and venlafaxine for serotonin and norepinephrine transporters in vitro and in vivo, human serotonin receptor subtypes, and other neuronal receptors. Neuropsychopharmacology. 2001 Dec;25(6):871-80."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cyclohexanols; Antidepressive Agents; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; Phenethylamines; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Ethylamines; Antidepressive Agents, Second-Generation; BCRP/ABCG2 Inducers"	COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		11336	46504593	D08670	PA451866		DAP000054	Venlafaxine	CHEMBL637	39786
DB00285	Venlafaxine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	14744476; 16893531; 9669506; 19728573; 10884561; 19238127; 15910402; 11750180	"Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Mitchell HA, Ahern TH, Liles LC, Javors MA, Weinshenker D: The effects of norepinephrine transporter inactivation on locomotor activity in mice. Biol Psychiatry. 2006 Nov 15;60(10):1046-52. Epub 2006 Aug 7.@@Beique JC, Lavoie N, de Montigny C, Debonnel G: Affinities of venlafaxine and various reuptake inhibitors for the serotonin and norepinephrine transporters. Eur J Pharmacol. 1998 May 15;349(1):129-32.@@Van Ameringen M, Mancini C, Patterson B, Simpson W: Pharmacotherapy for social anxiety disorder: an update. Isr J Psychiatry Relat Sci. 2009;46(1):53-61.@@Beique J, de Montigny C, Blier P, Debonnel G: Effects of sustained administration of the serotonin and norepinephrine reuptake inhibitor venlafaxine: I. in vivo electrophysiological studies in the rat. Neuropharmacology. 2000 Jul 24;39(10):1800-12.@@Westenberg HG: Recent advances in understanding and treating social anxiety disorder. CNS Spectr. 2009 Feb;14(2 Suppl 3):24-33.@@Sindrup SH, Otto M, Finnerup NB, Jensen TS: Antidepressants in the treatment of neuropathic pain. Basic Clin Pharmacol Toxicol. 2005 Jun;96(6):399-409.@@Bymaster FP, Dreshfield-Ahmad LJ, Threlkeld PG, Shaw JL, Thompson L, Nelson DL, Hemrick-Luecke SK, Wong DT: Comparative affinity of duloxetine and venlafaxine for serotonin and norepinephrine transporters in vitro and in vivo, human serotonin receptor subtypes, and other neuronal receptors. Neuropsychopharmacology. 2001 Dec;25(6):871-80."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cyclohexanols; Antidepressive Agents; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; Phenethylamines; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Ethylamines; Antidepressive Agents, Second-Generation; BCRP/ABCG2 Inducers"	COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		11336	46504593	D08670	PA451866		DAP000054	Venlafaxine	CHEMBL637	39786
DB00285	Venlafaxine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10462128; 10434156; 11319571; 17187269	"Dawson LA, Nguyen HQ, Geiger A: Effects of venlafaxine on extracellular concentrations of 5-HT and noradrenaline in the rat frontal cortex: augmentation via 5-HT1A receptor antagonism. Neuropharmacology. 1999 Aug;38(8):1153-63.@@Bourin M: [Psychopharmacological profile of venlafaxine]. Encephale. 1999 Jun;25 Spec No 2:21-2; discussion 23-5.@@Barkin RL, Fawcett J: The management challenges of chronic pain: the role of antidepressants. Am J Ther. 2000 Jan;7(1):31-47.@@Lemke MR: [Antidepressant effects of dopamine agonists. Experimental and clinical findings]. Nervenarzt. 2007 Jan;78(1):31-8."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cyclohexanols; Antidepressive Agents; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; Phenethylamines; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Ethylamines; Antidepressive Agents, Second-Generation; BCRP/ABCG2 Inducers"	COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		11336	46504593	D08670	PA451866		DAP000054	Venlafaxine	CHEMBL637	39786
DB00286	Conjugated estrogens	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	24715748; 16876190; 16884174; 16955786	"Cada DJ, Baker DE: Conjugated estrogens and bazedoxifene. Hosp Pharm. 2014 Mar;49(3):273-83. doi: 10.1310/hpj4903-273.@@Ropero AB, Eghbali M, Minosyan TY, Tang G, Toro L, Stefani E: Heart estrogen receptor alpha: distinct membrane and nuclear distribution patterns and regulation by estrogen. J Mol Cell Cardiol. 2006 Sep;41(3):496-510. Epub 2006 Jul 28.@@Stroud FC, Appt SE, Wilson ME, Franke AA, Adams MR, Kaplan JR: Concentrations of isoflavones in macaques consuming standard laboratory monkey diet. J Am Assoc Lab Anim Sci. 2006 Jul;45(4):20-3.@@Hou NN, Zhu YM, Huang HF: [The expression of estrogen receptor alpha and beta in the intervention of different estrogens in rat bone metabolism]. Fen Zi Xi Bao Sheng Wu Xue Bao. 2006 Aug;39(4):289-96."	Approved			"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OAT3/SLC22A8 Substrates; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Estradiol Congeners; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Estrogens, Conjugated (USP); Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Hormones; BCRP/ABCG2 Substrates; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Estrogens; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"						12708	46505680	D04070	PA164754789		DNC001150	Conjugated_estrogens	CHEMBL2106240	4099
DB00286	Conjugated estrogens	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	16876190; 16884174; 16955786; 16982590; 16985877	"Ropero AB, Eghbali M, Minosyan TY, Tang G, Toro L, Stefani E: Heart estrogen receptor alpha: distinct membrane and nuclear distribution patterns and regulation by estrogen. J Mol Cell Cardiol. 2006 Sep;41(3):496-510. Epub 2006 Jul 28.@@Stroud FC, Appt SE, Wilson ME, Franke AA, Adams MR, Kaplan JR: Concentrations of isoflavones in macaques consuming standard laboratory monkey diet. J Am Assoc Lab Anim Sci. 2006 Jul;45(4):20-3.@@Hou NN, Zhu YM, Huang HF: [The expression of estrogen receptor alpha and beta in the intervention of different estrogens in rat bone metabolism]. Fen Zi Xi Bao Sheng Wu Xue Bao. 2006 Aug;39(4):289-96.@@Gouva L, Tsatsoulis A: The role of estrogens in cardiovascular disease in the aftermath of clinical trials. Hormones (Athens). 2004 Jul-Sep;3(3):171-83.@@Smith MR: Selective estrogen receptor modulators to prevent treatment-related osteoporosis. Rev Urol. 2005;7 Suppl 3:S30-5."	Approved			"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OAT3/SLC22A8 Substrates; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Estradiol Congeners; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Estrogens, Conjugated (USP); Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Hormones; BCRP/ABCG2 Substrates; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Estrogens; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"						12708	46505680	D04070	PA164754789		DNC001150	Conjugated_estrogens	CHEMBL2106240	4099
DB00287	Travoprost	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist	16249494; 16505027; 18452763; 19697832; 19929706; 9038626; 19038618; 18983226; 12083996; 14733708; 12669109	"Ota T, Aihara M, Narumiya S, Araie M: The effects of prostaglandin analogues on IOP in prostanoid FP-receptor-deficient mice. Invest Ophthalmol Vis Sci. 2005 Nov;46(11):4159-63.@@Thieme H, Schimmat C, Munzer G, Boxberger M, Fromm M, Pfeiffer N, Rosenthal R: Endothelin antagonism: effects of FP receptor agonists prostaglandin F2alpha and fluprostenol on trabecular meshwork contractility. Invest Ophthalmol Vis Sci. 2006 Mar;47(3):938-45.@@Lim KS, Nau CB, O'Byrne MM, Hodge DO, Toris CB, McLaren JW, Johnson DH: Mechanism of action of bimatoprost, latanoprost, and travoprost in healthy subjects. A crossover study. Ophthalmology. 2008 May;115(5):790-795.e4. doi: 10.1016/j.ophtha.2007.07.002.@@Neacsu AM: [Receptors involved in the mechanism of action of topical prostaglandines]. Oftalmologia. 2009;53(2):3-7.@@Costagliola C, dell'Omo R, Romano MR, Rinaldi M, Zeppa L, Parmeggiani F: Pharmacotherapy of intraocular pressure - part II. Carbonic anhydrase inhibitors, prostaglandin analogues and prostamides. Expert Opin Pharmacother. 2009 Dec;10(17):2859-70. doi: 10.1517/14656560903300129.@@Ferrari G, Scagliotti GV: Serum and urinary vascular endothelial growth factor levels in non-small cell lung cancer patients. Eur J Cancer. 1996 Dec;32A(13):2368-9.@@Toris CB, Gabelt BT, Kaufman PL: Update on the mechanism of action of topical prostaglandins for intraocular pressure reduction. Surv Ophthalmol. 2008 Nov;53 Suppl1:S107-20. doi: 10.1016/j.survophthal.2008.08.010.@@Arranz-Marquez E, Teus MA: Prostanoids for the management of glaucoma. Expert Opin Drug Saf. 2008 Nov;7(6):801-8. doi: 10.1517/14740330802465474 .@@Whitson JT: Travoprost--a new prostaglandin analogue for the treatment of glaucoma. Expert Opin Pharmacother. 2002 Jul;3(7):965-77. doi: 10.1517/14656566.3.7.965.@@Sharif NA, Kelly CR, Crider JY, Williams GW, Xu SX: Ocular hypotensive FP prostaglandin (PG) analogs: PG receptor subtype binding affinities and selectivities, and agonist potencies at FP and other PG receptors in cultured cells. J Ocul Pharmacol Ther. 2003 Dec;19(6):501-15.@@Al-Jazzaf AM, DeSantis L, Netland PA: Travoprost: a potent ocular hypotensive agent. Drugs Today (Barc). 2003 Jan;39(1):61-74. doi: 10.1358/dot.2003.39.1.799432."	Approved	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Ophthalmologicals; Prostaglandins; Prostaglandins F, Synthetic; Antihypertensive Agents; Lipids; Antiglaucoma Preparations and Miotics; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Prostaglandins, Synthetic; Ophthalmics"	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F					12477	46507637	D01964	PA164781371		DAP000274	Travoprost	CHEMBL1200799	283809
DB00288	Amcinonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	17139284; 17016423; 16891588; 16895953; 16980198; 17038445; 17086345	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7508	46506705	D01387	PA164746074		DAP001044	Amcinonide	CHEMBL1200732	17652
DB00288	Amcinonide	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	17139284; 17016423; 7981624	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Serres M, Comera C, Schmitt D: Annexin 1 regulation in human epidermal cells. Cell Mol Biol (Noisy-le-grand). 1994 Jul;40(5):701-6."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7508	46506705	D01387	PA164746074		DAP001044	Amcinonide	CHEMBL1200732	17652
DB00289	Atomoxetine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	12547466; 12862507; 14709944; 19445548; 15801334; 16142049; 18033153; 9537821; 26859445	"Michelson D, Adler L, Spencer T, Reimherr FW, West SA, Allen AJ, Kelsey D, Wernicke J, Dietrich A, Milton D: Atomoxetine in adults with ADHD: two randomized, placebo-controlled studies. Biol Psychiatry. 2003 Jan 15;53(2):112-20.@@Wernicke JF, Faries D, Girod D, Brown J, Gao H, Kelsey D, Quintana H, Lipetz R, Michelson D, Heiligenstein J: Cardiovascular effects of atomoxetine in children, adolescents, and adults. Drug Saf. 2003;26(10):729-40.@@Wernicke JF, Adler L, Spencer T, West SA, Allen AJ, Heiligenstein J, Milton D, Ruff D, Brown WJ, Kelsey D, Michelson D: Changes in symptoms and adverse events after discontinuation of atomoxetine in children and adults with attention deficit/hyperactivity disorder: a prospective, placebo-controlled assessment. J Clin Psychopharmacol. 2004 Feb;24(1):30-5.@@Garnock-Jones KP, Keating GM: Atomoxetine: a review of its use in attention-deficit hyperactivity disorder in children and adolescents. Paediatr Drugs. 2009;11(3):203-26. doi: 10.2165/00148581-200911030-00005.@@Kaplan S, Heiligenstein J, West S, Busner J, Harder D, Dittmann R, Casat C, Wernicke JF: Efficacy and safety of atomoxetine in childhood attention-deficit/hyperactivity disorder with comorbid oppositional defiant disorder. J Atten Disord. 2004 Oct;8(2):45-52.@@Purper-Ouakil D, Fourneret P, Wohl M, Reneric JP: [Atomoxetine: a new treatment for Attention Deficit/Hyperactivity Disorder (ADHD) in children and adolescents]. Encephale. 2005 May-Jun;31(3):337-48.@@Gaillez C, Sorbara F, Perrin E: [Atomoxetine (Strattera), an alternative in the treatment of attention-deficit/hyperactivity disorder (ADHD) in children]. Encephale. 2007 Sep;33(4 Pt 1):621-8.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Yu G, Li GF, Markowitz JS: Atomoxetine: A Review of Its Pharmacokinetics and Pharmacogenomics Relative to Drug Disposition. J Child Adolesc Psychopharmacol. 2016 May;26(4):314-26. doi: 10.1089/cap.2015.0137. Epub 2016 Feb 9."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"QTc Prolonging Agents; Amines; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Norepinephrine Uptake Inhibitors; Agents that produce hypertension; Norepinephrine Reuptake Inhibitor; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Propylamines; Miscellaneous Central Nervous System Agents"	CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1					13584	46506160	D07473	PA134688071		DAP000721	Atomoxetine	CHEMBL641	38400
DB00289	Atomoxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	binder	9537821; 26859445; 23933039	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Yu G, Li GF, Markowitz JS: Atomoxetine: A Review of Its Pharmacokinetics and Pharmacogenomics Relative to Drug Disposition. J Child Adolesc Psychopharmacol. 2016 May;26(4):314-26. doi: 10.1089/cap.2015.0137. Epub 2016 Feb 9.@@Ding YS, Naganawa M, Gallezot JD, Nabulsi N, Lin SF, Ropchan J, Weinzimmer D, McCarthy TJ, Carson RE, Huang Y, Laruelle M: Clinical doses of atomoxetine significantly occupy both norepinephrine and serotonin transports: Implications on treatment of depression and ADHD. Neuroimage. 2014 Feb 1;86:164-71. doi: 10.1016/j.neuroimage.2013.08.001. Epub 2013 Aug 9."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"QTc Prolonging Agents; Amines; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Norepinephrine Uptake Inhibitors; Agents that produce hypertension; Norepinephrine Reuptake Inhibitor; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Propylamines; Miscellaneous Central Nervous System Agents"	CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1					13584	46506160	D07473	PA134688071		DAP000721	Atomoxetine	CHEMBL641	38400
DB00289	Atomoxetine	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN	inhibitor	20393461	"Kobayashi T, Washiyama K, Ikeda K: Inhibition of G-protein-activated inwardly rectifying K+ channels by the selective norepinephrine reuptake inhibitors atomoxetine and reboxetine. Neuropsychopharmacology. 2010 Jun;35(7):1560-9. doi: 10.1038/npp.2010.27. Epub 2010 Mar 10."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"QTc Prolonging Agents; Amines; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Norepinephrine Uptake Inhibitors; Agents that produce hypertension; Norepinephrine Reuptake Inhibitor; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Propylamines; Miscellaneous Central Nervous System Agents"	CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1					13584	46506160	D07473	PA134688071		DAP000721	Atomoxetine	CHEMBL641	38400
DB00289	Atomoxetine	BE0000632	OPRK1	P41145	OPRK_HUMAN	partial agonist	15225731	"Creighton CJ, Ramabadran K, Ciccone PE, Liu J, Orsini MJ, Reitz AB: Synthesis and biological evaluation of the major metabolite of atomoxetine: elucidation of a partial kappa-opioid agonist effect. Bioorg Med Chem Lett. 2004 Aug 2;14(15):4083-5. doi: 10.1016/j.bmcl.2004.05.018."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"QTc Prolonging Agents; Amines; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Norepinephrine Uptake Inhibitors; Agents that produce hypertension; Norepinephrine Reuptake Inhibitor; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Propylamines; Miscellaneous Central Nervous System Agents"	CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1					13584	46506160	D07473	PA134688071		DAP000721	Atomoxetine	CHEMBL641	38400
DB00290	Bleomycin	BE0000199	LIG1	P18858	DNLI1_HUMAN	inhibitor	17202402	"Rose JL, Reeves KC, Likhotvorik RI, Hoyt DG: Base excision repair proteins are required for integrin-mediated suppression of bleomycin-induced DNA breakage in murine lung endothelial cells. J Pharmacol Exp Ther. 2007 Apr;321(1):318-26. Epub 2007 Jan 3."	Approved; Investigational	Hybrid glycopeptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Cytotoxic Antibiotics and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Glycoconjugates; Cardiotoxic antineoplastic agents; Carbohydrates; Peptides; Glycopeptides; Antibiotics, Antineoplastic; Narrow Therapeutic Index Drugs; Cytoprotective Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"	[H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O					8453	46509116		PA448645		DAP000531	Bleomycin	CHEMBL403664	1622
DB00290	Bleomycin	BE0000167	LIG3	P49916	DNLI3_HUMAN	inhibitor	17202402	"Rose JL, Reeves KC, Likhotvorik RI, Hoyt DG: Base excision repair proteins are required for integrin-mediated suppression of bleomycin-induced DNA breakage in murine lung endothelial cells. J Pharmacol Exp Ther. 2007 Apr;321(1):318-26. Epub 2007 Jan 3."	Approved; Investigational	Hybrid glycopeptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Cytotoxic Antibiotics and Related Substances; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Glycoconjugates; Cardiotoxic antineoplastic agents; Carbohydrates; Peptides; Glycopeptides; Antibiotics, Antineoplastic; Narrow Therapeutic Index Drugs; Cytoprotective Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"	[H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O					8453	46509116		PA448645		DAP000531	Bleomycin	CHEMBL403664	1622
DB00292	Etomidate	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved	Carbonylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Adrenergic Agonists; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Adrenergic alpha-Agonists; Anesthetics, Intravenous; Anesthetics; Imidazoles; Nervous System; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension; Drugs that are Mainly Renally Excreted"	CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1					23454	46507012	D00548	PA164743987		DAP000669	Etomidate	CHEMBL681	4177
DB00294	Etonogestrel	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	10601100; 11041225; 15063480; 11752352	"Macpherson AM, Archer DF, Leslie S, Charnock-Jones DS, Makkink WK, Smith SK: The effect of etonogestrel on VEGF, oestrogen and progesterone receptor immunoreactivity and endothelial cell number in human endometrium. Hum Reprod. 1999 Dec;14(12):3080-7.@@Charnock-Jones DS, Macpherson AM, Archer DF, Leslie S, Makkink WK, Sharkey AM, Smith SK: The effect of progestins on vascular endothelial growth factor, oestrogen receptor and progesterone receptor immunoreactivity and endothelial cell density in human endometrium. Hum Reprod. 2000 Aug;15 Suppl 3:85-95.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progesterone Congeners; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					13323	46505321		PA164771231		DAP000855	Etonogestrel	CHEMBL1531	14584
DB00295	Morphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	17139284; 17016423; 9808678; 7959748; 16753266	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Leventhal L, Silva RM, Rossi GC, Pasternak GW, Bodnar RJ: Morphine-6beta-glucuronide-induced hyperphagia: characterization of opioid action by selective antagonists and antisense mapping in rats. J Pharmacol Exp Ther. 1998 Nov;287(2):538-44.@@Kozak CA, Filie J, Adamson MC, Chen Y, Yu L: Murine chromosomal location of the mu and kappa opioid receptor genes. Genomics. 1994 Jun;21(3):659-61.@@Teodorov E, Modena CC, Sukikara MH, Felicio LF: Preliminary study of the effects of morphine treatment on opioid receptor gene expression in brain structures of the female rat. Neuroscience. 2006 Sep 1;141(3):1225-31. Epub 2006 Jun 6."	Approved; Investigational	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Anesthetics; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opioids"	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O		Heroin Metabolism Pathway; Codeine Metabolism Pathway; Morphine Action Pathway; Heroin Action Pathway; Codeine Action Pathway; Morphine Metabolism Pathway	drug_metabolism; drug_action		10094	46505161	D08233	PA450550		DAP000071	Morphine	CHEMBL70	7052
DB00296	Ropivacaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 10781449	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Liu BG, Zhuang XL, Li ST, Xu GH: The effects of ropivacaine on sodium currents in dorsal horn neurons of neonatal rats. Anesth Analg. 2000 May;90(5):1034-8."	Approved	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Neuraxial Anesthetics; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Local Anesthesia; Anesthetics, Local; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Local Anesthetics (Amide); Aniline Compounds; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C		Ropivacaine Action Pathway	drug_action		11081	46504712		PA451271		DAP001230	Ropivacaine	CHEMBL1077896	35780
DB00297	Bupivacaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 20685573	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sheets MF, Fozzard HA, Lipkind GM, Hanck DA: Sodium channel molecular conformations and antiarrhythmic drug affinity. Trends Cardiovasc Med. 2010 Jan;20(1):16-21. doi: 10.1016/j.tcm.2010.03.002."	Approved; Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Neuraxial Anesthetics; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Agents that reduce seizure threshold; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Local Anesthetics (Amide); Aniline Compounds; Central Nervous System Agents; Nervous System"	CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C		Bupivacaine Action Pathway	drug_action		23707	46506768		PA135057240		DAP001229	Bupivacaine	CHEMBL1098	1815
DB00298	Dapiprazole	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17139284; 17016423; 9401944	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Eltze M: Affinity of the miotic drug, dapiprazole, at alpha 1-adrenoceptor subtypes A, B and D. J Pharm Pharmacol. 1997 Nov;49(11):1091-5."	Approved	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antipsychotic Agents; Ophthalmologicals; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Adrenergic Antagonists; Sensory Organs; Adrenergic alpha-1 Receptor Antagonists; Neurotransmitter Agents; Antiglaucoma Preparations and Miotics; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Neurotoxic agents; Ophthalmics	CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1						46508859	D07775	PA164749109		DAP000298	Dapiprazole	CHEMBL1201216	22298
DB00298	Dapiprazole	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	1972008; 9401944	"Allinson RW, Gerber DS, Bieber S, Hodes BL: Reversal of mydriasis by dapiprazole. Ann Ophthalmol. 1990 Apr;22(4):131-3, 138.@@Eltze M: Affinity of the miotic drug, dapiprazole, at alpha 1-adrenoceptor subtypes A, B and D. J Pharm Pharmacol. 1997 Nov;49(11):1091-5."	Approved	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antipsychotic Agents; Ophthalmologicals; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Adrenergic Antagonists; Sensory Organs; Adrenergic alpha-1 Receptor Antagonists; Neurotransmitter Agents; Antiglaucoma Preparations and Miotics; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Neurotoxic agents; Ophthalmics	CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1						46508859	D07775	PA164749109		DAP000298	Dapiprazole	CHEMBL1201216	22298
DB00302	Tranexamic acid	BE0000211	PLG	P00747	PLMN_HUMAN	inhibitor	10400410; 10625440; 10673876; 10959704; 12115473	"Dunn CJ, Goa KL: Tranexamic acid: a review of its use in surgery and other indications. Drugs. 1999 Jun;57(6):1005-32.@@Marti DN, Schaller J, Llinas M: Solution structure and dynamics of the plasminogen kringle 2-AMCHA complex: 3(1)-helix in homologous domains. Biochemistry. 1999 Nov 30;38(48):15741-55.@@Jansen AJ, Andreica S, Claeys M, D'Haese J, Camu F, Jochmans K: Use of tranexamic acid for an effective blood conservation strategy after total knee arthroplasty. Br J Anaesth. 1999 Oct;83(4):596-601.@@Bangert K, Thorsen S: Assay of functional plasminogen in rat plasma applicable to experimental studies of thrombolysis. Thromb Haemost. 2000 Aug;84(2):299-306.@@Hanson AJ, Quinn MT: Effect of fibrin sealant composition on human neutrophil chemotaxis. J Biomed Mater Res. 2002 Sep 5;61(3):474-81."	Approved	Amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Cyclohexanecarboxylic Acids; Antifibrinolytic Agents; Cycloparaffins; Acids, Carbocyclic; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Decreased Fibrinolysis; Fibrin Modulating Agents; Cyclohexanes; Amino Acids, Peptides, and Proteins"	NC[C@H]1CC[C@@H](CC1)C(O)=O		Tranexamic Acid Action Pathway	drug_action		1988	46508089	D01136	PA164750514		DAP000199	Tranexamic_acid	CHEMBL877	10691
DB00304	Desogestrel	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	6645495; 7750284; 3139361; 10601100; 11041225; 11752352	"Bergink EW, van Meel F, Turpijn EW, van der Vies J: Binding of progestagens to receptor proteins in MCF-7 cells. J Steroid Biochem. 1983 Nov;19(5):1563-70.@@Fuhrmann U, Slater EP, Fritzemeier KH: Characterization of the novel progestin gestodene by receptor binding studies and transactivation assays. Contraception. 1995 Jan;51(1):45-52.@@Kloosterboer HJ, Vonk-Noordegraaf CA, Turpijn EW: Selectivity in progesterone and androgen receptor binding of progestagens used in oral contraceptives. Contraception. 1988 Sep;38(3):325-32.@@Macpherson AM, Archer DF, Leslie S, Charnock-Jones DS, Makkink WK, Smith SK: The effect of etonogestrel on VEGF, oestrogen and progesterone receptor immunoreactivity and endothelial cell number in human endometrium. Hum Reprod. 1999 Dec;14(12):3080-7.@@Charnock-Jones DS, Macpherson AM, Archer DF, Leslie S, Makkink WK, Sharkey AM, Smith SK: The effect of progestins on vascular endothelial growth factor, oestrogen receptor and progesterone receptor immunoreactivity and endothelial cell density in human endometrium. Hum Reprod. 2000 Aug;15 Suppl 3:85-95.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; UGT1A1 Inducers; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]					660	46505739	D02367	PA449238		DAP001209	Desogestrel	CHEMBL1533	22656
DB00304	Desogestrel	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	7750284; 10836199; 2175153	"Fuhrmann U, Slater EP, Fritzemeier KH: Characterization of the novel progestin gestodene by receptor binding studies and transactivation assays. Contraception. 1995 Jan;51(1):45-52.@@Rabe T, Bohlmann MK, Rehberger-Schneider S, Prifti S: Induction of estrogen receptor-alpha and -beta activities by synthetic progestins. Gynecol Endocrinol. 2000 Apr;14(2):118-26.@@Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; UGT1A1 Inducers; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]					660	46505739	D02367	PA449238		DAP001209	Desogestrel	CHEMBL1533	22656
DB00306	Talbutal	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00306	Talbutal	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46507821	D06887	PA164779051		DAP000670	Talbutal	CHEMBL1200802	89810
DB00307	Bexarotene	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	11702369; 18765556; 17483357; 17008586; 15897247; 16495926; 14700480; 15632250; 15056048	"Lowe MN, Plosker GL: Bexarotene. Am J Clin Dermatol. 2000 Jul-Aug;1(4):245-50; discussion 251-2.@@Tsai DE, Luger SM, Andreadis C, Vogl DT, Kemner A, Potuzak M, Goradia A, Loren AW, Perl AE, Schuster SJ, Porter DL, Stadtmauer EA, Goldstein SC, Thompson JE, Swider C, Bagg A, Mato AR, Carroll M: A phase I study of bexarotene, a retinoic X receptor agonist, in non-M3 acute myeloid leukemia. Clin Cancer Res. 2008 Sep 1;14(17):5619-25. doi: 10.1158/1078-0432.CCR-07-5185.@@Tooker P, Yen WC, Ng SC, Negro-Vilar A, Hermann TW: Bexarotene (LGD1069, Targretin), a selective retinoid X receptor agonist, prevents and reverses gemcitabine resistance in NSCLC cells by modulating gene amplification. Cancer Res. 2007 May 1;67(9):4425-33.@@Lalloyer F, Fievet C, Lestavel S, Torpier G, van der Veen J, Touche V, Bultel S, Yous S, Kuipers F, Paumelle R, Fruchart JC, Staels B, Tailleux A: The RXR agonist bexarotene improves cholesterol homeostasis and inhibits atherosclerosis progression in a mouse model of mixed dyslipidemia. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2731-7. Epub 2006 Sep 28.@@Yen WC, Lamph WW: The selective retinoid X receptor agonist bexarotene (LGD1069, Targretin) prevents and overcomes multidrug resistance in advanced breast carcinoma. Mol Cancer Ther. 2005 May;4(5):824-34.@@Yen WC, Prudente RY, Corpuz MR, Negro-Vilar A, Lamph WW: A selective retinoid X receptor agonist bexarotene (LGD1069, targretin) inhibits angiogenesis and metastasis in solid tumours. Br J Cancer. 2006 Mar 13;94(5):654-60.@@Rizvi N, Hawkins MJ, Eisenberg PD, Yocum RC, Reich SD: Placebo-controlled trial of bexarotene, a retinoid x receptor agonist, as maintenance therapy for patients treated with chemotherapy for advanced non-small-cell lung cancer. Clin Lung Cancer. 2001 Feb;2(3):210-5.@@Rigas JR, Dragnev KH: Emerging role of rexinoids in non-small cell lung cancer: focus on bexarotene. Oncologist. 2005 Jan;10(1):22-33.@@Farol LT, Hymes KB: Bexarotene: a clinical review. Expert Rev Anticancer Ther. 2004 Apr;4(2):180-8."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Myelosuppressive Agents; Retinoids for cancer treatment; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; Antineoplastic Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers"	CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C						46509119	D03106	PA164752250		DAP000276	Bexarotene	CHEMBL1023	233272
DB00308	Ibutilide	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	activator	15926871; 9257085; 11752352	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00308	Ibutilide	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	activator	15926871; 9257085	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00308	Ibutilide	BE0000679	CACNG1	Q06432	CCG1_HUMAN	activator	15926871; 9257085	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00308	Ibutilide	BE0000154	KCNK1	O00180	KCNK1_HUMAN	inhibitor	15926871; 9257085	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00308	Ibutilide	BE0000699	KCNH7	Q9NS40	KCNH7_HUMAN	inhibitor	15926871; 9257085	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00310	Chlorthalidone	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	20625077	"Woodman R, Brown C, Lockette W: Chlorthalidone decreases platelet aggregation and vascular permeability and promotes angiogenesis. Hypertension. 2010 Sep;56(3):463-70. doi: 10.1161/HYPERTENSIONAHA.110.154476. Epub 2010 Jul 12."	Approved	Isoindolones	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Thiazide-like Diuretic; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Benzene Derivatives; Sodium Chloride Symporter Inhibitors; Benzophenones; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Low-Ceiling Diuretics, Excl. Thiazides; Photosensitizing Agents; Phthalimides; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Ketones; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Isoindoles; Increased Diuresis; Benzenesulfonamides; Sulfur Compounds; Imides"	NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12		Chlorthalidone Action Pathway	drug_action		10135	46505541	D00272	PA448970		DAP000521	Chlortalidone	CHEMBL1055	2409
DB00310	Chlorthalidone	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	17139284; 17016423; 11752352; 19474192	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27."	Approved	Isoindolones	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Thiazide-like Diuretic; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Benzene Derivatives; Sodium Chloride Symporter Inhibitors; Benzophenones; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Low-Ceiling Diuretics, Excl. Thiazides; Photosensitizing Agents; Phthalimides; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Ketones; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Isoindoles; Increased Diuresis; Benzenesulfonamides; Sulfur Compounds; Imides"	NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12		Chlorthalidone Action Pathway	drug_action		10135	46505541	D00272	PA448970		DAP000521	Chlortalidone	CHEMBL1055	2409
DB00311	Ethoxzolamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	18336310	"Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54."	Withdrawn	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfones; Enzyme Inhibitors; Diuretics; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Amides; Benzothiazoles; Sulfonamides; Carbonic Anhydrase Inhibitors"	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O						46509023	D02441	PA164754743		DAP000598	Ethoxzolamide	CHEMBL18	
DB00311	Ethoxzolamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	10995826; 12956733; 7929150; 6816217; 10649985; 19520577	"Kohling R, Vreugdenhil M, Bracci E, Jefferys JG: Ictal epileptiform activity is facilitated by hippocampal GABAA receptor-mediated oscillations. J Neurosci. 2000 Sep 15;20(18):6820-9.@@Perez Velazquez JL: Bicarbonate-dependent depolarizing potentials in pyramidal cells and interneurons during epileptiform activity. Eur J Neurosci. 2003 Sep;18(5):1337-42.@@Heck RW, Tanhauser SM, Manda R, Tu C, Laipis PJ, Silverman DN: Catalytic properties of mouse carbonic anhydrase V. J Biol Chem. 1994 Oct 7;269(40):24742-6.@@Siffert W, Gros G: Carbonic anhydrase C in white-skeletal-muscle tissue. Biochem J. 1982 Sep 1;205(3):559-66.@@Scozzafava A, Briganti F, Ilies MA, Supuran CT: Carbonic anhydrase inhibitors: synthesis of membrane-impermeant low molecular weight sulfonamides possessing in vivo selectivity for the membrane-bound versus cytosolic isozymes. J Med Chem. 2000 Jan 27;43(2):292-300.@@Bertucci A, Innocenti A, Zoccola D, Scozzafava A, Tambutte S, Supuran CT: Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8. doi: 10.1016/j.bmc.2009.05.063. Epub  2009 May 30."	Withdrawn	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfones; Enzyme Inhibitors; Diuretics; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Amides; Benzothiazoles; Sulfonamides; Carbonic Anhydrase Inhibitors"	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O						46509023	D02441	PA164754743		DAP000598	Ethoxzolamide	CHEMBL18	
DB00311	Ethoxzolamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Withdrawn	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Thiazoles; Sulfones; Enzyme Inhibitors; Diuretics; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Amides; Benzothiazoles; Sulfonamides; Carbonic Anhydrase Inhibitors"	CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O						46509023	D02441	PA164754743		DAP000598	Ethoxzolamide	CHEMBL18	
DB00312	Pentobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00312	Pentobarbital	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	15039302	"Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved; Investigational; Vet_approved	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2A6 Inducers (strong); Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=O)NC1=O					8230	46508399	D00499	PA450859		DAP000671	Pentobarbital	CHEMBL448	8004
DB00313	Valproic acid	BE0000881	HDAC9	Q9UKV0	HDAC9_HUMAN	inhibitor	15166525; 15242819; 15289798; 15685243; 15850602; 17514356; 20811699	"Ylisastigui L, Archin NM, Lehrman G, Bosch RJ, Margolis DM: Coaxing HIV-1 from resting CD4 T cells: histone deacetylase inhibition allows latent viral expression. AIDS. 2004 May 21;18(8):1101-8.@@Michaelis M, Kohler N, Reinisch A, Eikel D, Gravemann U, Doerr HW, Nau H, Cinatl J Jr: Increased human cytomegalovirus replication in fibroblasts after treatment with therapeutical plasma concentrations of valproic acid. Biochem Pharmacol. 2004 Aug 1;68(3):531-8.@@Kanai H, Sawa A, Chen RW, Leeds P, Chuang DM: Valproic acid inhibits histone deacetylase activity and suppresses excitotoxicity-induced GAPDH nuclear accumulation and apoptotic death in neurons. Pharmacogenomics J. 2004;4(5):336-44.@@Stockhausen MT, Sjolund J, Manetopoulos C, Axelson H: Effects of the histone deacetylase inhibitor valproic acid on Notch signalling in human neuroblastoma cells. Br J Cancer. 2005 Feb 28;92(4):751-9.@@Beutler AS, Li S, Nicol R, Walsh MJ: Carbamazepine is an inhibitor of histone deacetylases. Life Sci. 2005 May 13;76(26):3107-15.@@Rosenberg G: The mechanisms of action of valproate in neuropsychiatric disorders: can we see the forest for the trees? Cell Mol Life Sci. 2007 Aug;64(16):2090-103.@@Kawano T, Akiyama M, Agawa-Ohta M, Mikami-Terao Y, Iwase S, Yanagisawa T, Ida H, Agata N, Yamada H: Histone deacetylase inhibitors valproic acid and depsipeptide sensitize retinoblastoma cells to radiotherapy by increasing H2AX phosphorylation and p53 acetylation-phosphorylation. Int J Oncol. 2010 Oct;37(4):787-95."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0000573	ACADSB	P45954	ACDSB_HUMAN	inhibitor	2112956; 16344985	"Ito M, Ikeda Y, Arnez JG, Finocchiaro G, Tanaka K: The enzymatic basis for the metabolism and inhibitory effects of valproic acid: dehydrogenation of valproyl-CoA by 2-methyl-branched-chain acyl-CoA dehydrogenase. Biochim Biophys Acta. 1990 May 16;1034(2):213-8.@@Bazinet RP, Weis MT, Rapoport SI, Rosenberger TA: Valproic acid selectively inhibits conversion of arachidonic acid to arachidonoyl-CoA by brain microsomal long-chain fatty acyl-CoA synthetases: relevance to bipolar disorder. Psychopharmacology (Berl). 2006 Jan;184(1):122-9. Epub 2005 Dec 13."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0000162	OGDH	Q02218	ODO1_HUMAN	inhibitor	12847559	"Johannessen CU, Johannessen SI: Valproate: past, present, and future. CNS Drug Rev. 2003 Summer;9(2):199-216."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	12192617	"Farber NB, Jiang XP, Heinkel C, Nemmers B: Antiepileptic drugs and agents that inhibit voltage-gated sodium channels prevent NMDA antagonist neurotoxicity. Mol Psychiatry. 2002;7(7):726-33."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	12840003; 15124690	"Kramer OH, Zhu P, Ostendorff HP, Golebiewski M, Tiefenbach J, Peters MA, Brill B, Groner B, Bach I, Heinzel T, Gottlicher M: The histone deacetylase inhibitor valproic acid selectively induces proteasomal degradation of HDAC2. EMBO J. 2003 Jul 1;22(13):3411-20.@@Gottlicher M: Valproic acid: an old drug newly discovered as inhibitor of histone deacetylases. Ann Hematol. 2004;83 Suppl 1:S91-2."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		24489787	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		24489787	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		24489787	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	28812434; 14576182; 19115247; 15870934; 12678732; 30562925; 18053801	"Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511.@@Nelson-DeGrave VL, Wickenheisser JK, Cockrell JE, Wood JR, Legro RS, Strauss JF 3rd, McAllister JM: Valproate potentiates androgen biosynthesis in human ovarian theca cells. Endocrinology. 2004 Feb;145(2):799-808. Epub 2003 Oct 23.@@Chabane N, Li X, Fahmi H: HDAC4 contributes to IL-1-induced mPGES-1 expression in human synovial fibroblasts through up-regulation of Egr-1 transcriptional activity. J Cell Biochem. 2009 Feb 15;106(3):453-63. doi: 10.1002/jcb.22027.@@Rocchi P, Tonelli R, Camerin C, Purgato S, Fronza R, Bianucci F, Guerra F, Pession A, Ferreri AM: p21Waf1/Cip1 is a common target induced by short-chain fatty acid HDAC inhibitors (valproic acid, tributyrin and sodium butyrate) in neuroblastoma cells. Oncol Rep. 2005 Jun;13(6):1139-44.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Chang MC, Chen YJ, Lian YC, Chang BE, Huang CC, Huang WL, Pan YH, Jeng JH: Butyrate Stimulates Histone H3 Acetylation, 8-Isoprostane Production, RANKL Expression, and Regulated Osteoprotegerin Expression/Secretion in MG-63 Osteoblastic Cells. Int J Mol Sci. 2018 Dec 17;19(12). pii: ijms19124071. doi: 10.3390/ijms19124071.@@Matsumoto Y, Motoki T, Kubota S, Takigawa M, Tsubouchi H, Gohda E: Inhibition of tumor-stromal interaction through HGF/Met signaling by valproic acid. Biochem Biophys Res Commun. 2008 Feb 1;366(1):110-6. doi: 10.1016/j.bbrc.2007.11.089. Epub 2007 Nov 29."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0009012	CDKN1A	P38936	CDN1A_HUMAN	regulator	15870934	"Rocchi P, Tonelli R, Camerin C, Purgato S, Fronza R, Bianucci F, Guerra F, Pession A, Ferreri AM: p21Waf1/Cip1 is a common target induced by short-chain fatty acid HDAC inhibitors (valproic acid, tributyrin and sodium butyrate) in neuroblastoma cells. Oncol Rep. 2005 Jun;13(6):1139-44."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0001121	HGF	P14210	HGF_HUMAN	inhibitor	18053801	"Matsumoto Y, Motoki T, Kubota S, Takigawa M, Tsubouchi H, Gohda E: Inhibition of tumor-stromal interaction through HGF/Met signaling by valproic acid. Biochem Biophys Res Commun. 2008 Feb 1;366(1):110-6. doi: 10.1016/j.bbrc.2007.11.089. Epub 2007 Nov 29."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0000404	ODC1	P11926	DCOR_HUMAN	downregulator	28812434	"Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00313	Valproic acid	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	downregulator	28812434	"Booth L, Roberts JL, Poklepovic A, Dent P: [pemetrexed + sildenafil], via autophagy-dependent HDAC downregulation, enhances the immunotherapy response of NSCLC cells. Cancer Biol Ther. 2017 Sep 2;18(9):705-714. doi: 10.1080/15384047.2017.1362511."	Approved; Investigational	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histone Deacetylase Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Fatty Acids, Volatile; Pentanoic Acids; Cytochrome P-450 CYP3A5 Substrates; Valerates; Antimanic Agents; Cytochrome P-450 CYP2A6 Substrates; Hepatotoxic Agents; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Fatty Acid Derivatives; UGT1A3 Substrates with a Narrow Therapeutic Index; Mood Stabilizer; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; UGT1A6 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; OAT3/SLC22A8 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; UGT1A1 Substrates; UGT1A4 substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; UGT1A9 Substrates; UGT2B7 Substrates with a Narrow Therapeutic Index; Nervous System; Anti-epileptic Agent; Narrow Therapeutic Index Drugs; UGT1A6 substrate; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCC(CCC)C(O)=O		Valproic Acid Metabolism Pathway	drug_metabolism		2115	46505925	D00399	PA451846		DNC001659	Valproate	CHEMBL109	11118
DB00315	Zolmitriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11513839; 9399012; 29352859	"Johnson DE, Rollema H, Schmidt AW, McHarg AD: Serotonergic effects and extracellular brain levels of eletriptan, zolmitriptan and sumatriptan in rat brain. Eur J Pharmacol. 2001 Aug 17;425(3):203-10.@@Martin GR: Pre-clinical pharmacology of zolmitriptan (Zomig; formerly 311C90), a centrally and peripherally acting 5HT1B/1D agonist for migraine. Cephalalgia. 1997 Oct;17 Suppl 18:4-14.@@Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12					11793	46506452	D00415	PA451975		DAP000077	Zolmitriptan	CHEMBL1185	135775
DB00315	Zolmitriptan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	29352859; 9399012	"Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17.@@Martin GR: Pre-clinical pharmacology of zolmitriptan (Zomig; formerly 311C90), a centrally and peripherally acting 5HT1B/1D agonist for migraine. Cephalalgia. 1997 Oct;17 Suppl 18:4-14."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12					11793	46506452	D00415	PA451975		DAP000077	Zolmitriptan	CHEMBL1185	135775
DB00315	Zolmitriptan	BE0000476	HTR1E	P28566	5HT1E_HUMAN	agonist	29352859; 9399012	"Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17.@@Martin GR: Pre-clinical pharmacology of zolmitriptan (Zomig; formerly 311C90), a centrally and peripherally acting 5HT1B/1D agonist for migraine. Cephalalgia. 1997 Oct;17 Suppl 18:4-14."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12					11793	46506452	D00415	PA451975		DAP000077	Zolmitriptan	CHEMBL1185	135775
DB00315	Zolmitriptan	BE0000650	HTR7	P34969	5HT7R_HUMAN	agonist	29352859	"Rubio-Beltran E, Labastida-Ramirez A, Villalon CM, MaassenVanDenBrink A: Is selective 5-HT1F receptor agonism an entity apart from that of the triptans in antimigraine therapy? Pharmacol Ther. 2018 Jun;186:88-97. doi: 10.1016/j.pharmthera.2018.01.005. Epub 2018 Jan 17."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Oxazoles; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12					11793	46506452	D00415	PA451975		DAP000077	Zolmitriptan	CHEMBL1185	135775
DB00316	Acetaminophen	BE0002480	PTGES3	Q15185	TEBP_HUMAN	inhibitor	15626590; 12242329	"Botting R, Ayoub SS: COX-3 and the mechanism of action of paracetamol/acetaminophen. Prostaglandins Leukot Essent Fatty Acids. 2005 Feb;72(2):85-7.@@Chandrasekharan NV, Dai H, Roos KL, Evanson NK, Tomsik J, Elton TS, Simmons DL: COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: cloning, structure, and expression. Proc Natl Acad Sci U S A. 2002 Oct 15;99(21):13926-31. Epub 2002 Sep 19."	Approved	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids	"Sensory System Agents; Amines; Acetaminophen and Prodrugs; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Antipyretics; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Analgesics, Non-Narcotic; Anilides; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Methemoglobinemia Associated Agents; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Miscellaneous Analgesics and Antipyretics; Nervous System; Cytochrome P-450 CYP1A2 Substrates; UGT1A6 substrate"	CC(=O)NC1=CC=C(O)C=C1		Acetaminophen Metabolism Pathway; Acetaminophen  Action Pathway	drug_metabolism; drug_action		270	46506142	D00217	PA448015		DAP001436	Paracetamol	CHEMBL112	161
DB00316	Acetaminophen	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	activator	15987694; 20862299	"Hogestatt ED, Jonsson BA, Ermund A, Andersson DA, Bjork H, Alexander JP, Cravatt BF, Basbaum AI, Zygmunt PM: Conversion of acetaminophen to the bioactive N-acylphenolamine AM404 via fatty acid amide hydrolase-dependent arachidonic acid conjugation in the nervous system. J Biol Chem. 2005 Sep 9;280(36):31405-12. Epub 2005 Jun 29.@@Mallet C, Barriere DA, Ermund A, Jonsson BA, Eschalier A, Zygmunt PM, Hogestatt ED: TRPV1 in brain is involved in acetaminophen-induced antinociception. PLoS One. 2010 Sep 17;5(9). pii: e12748. doi: 10.1371/journal.pone.0012748."	Approved	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids	"Sensory System Agents; Amines; Acetaminophen and Prodrugs; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Antipyretics; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Analgesics, Non-Narcotic; Anilides; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Methemoglobinemia Associated Agents; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Miscellaneous Analgesics and Antipyretics; Nervous System; Cytochrome P-450 CYP1A2 Substrates; UGT1A6 substrate"	CC(=O)NC1=CC=C(O)C=C1		Acetaminophen Metabolism Pathway; Acetaminophen  Action Pathway	drug_metabolism; drug_action		270	46506142	D00217	PA448015		DAP001436	Paracetamol	CHEMBL112	161
DB00317	Gefitinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	10815932; 11522647; 11566608; 11585753; 11673690; 11752352	"Ciardiello F, Caputo R, Bianco R, Damiano V, Pomatico G, De Placido S, Bianco AR, Tortora G: Antitumor effect and potentiation of cytotoxic drugs activity in human cancer cells by ZD-1839 (Iressa), an epidermal growth factor receptor-selective tyrosine kinase inhibitor. Clin Cancer Res. 2000 May;6(5):2053-63.@@Albanell J, Codony-Servat J, Rojo F, Del Campo JM, Sauleda S, Anido J, Raspall G, Giralt J, Rosello J, Nicholson RI, Mendelsohn J, Baselga J: Activated extracellular signal-regulated kinases: association with epidermal growth factor receptor/transforming growth factor alpha expression in head and neck squamous carcinoma and inhibition by anti-epidermal growth factor receptor treatments. Cancer Res. 2001 Sep 1;61(17):6500-10.@@Nicholson RI, Hutcheson IR, Harper ME, Knowlden JM, Barrow D, McClelland RA, Jones HE, Wakeling AE, Gee JM: Modulation of epidermal growth factor receptor in endocrine-resistant, oestrogen receptor-positive breast cancer. Endocr Relat Cancer. 2001 Sep;8(3):175-82.@@Moasser MM, Basso A, Averbuch SD, Rosen N: The tyrosine kinase inhibitor ZD1839 (""Iressa"") inhibits HER2-driven signaling and suppresses the growth of HER2-overexpressing tumor cells. Cancer Res. 2001 Oct 1;61(19):7184-8.@@Arteaga CL, Johnson DH: Tyrosine kinase inhibitors-ZD1839 (Iressa). Curr Opin Oncol. 2001 Nov;13(6):491-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Quinazolines"	COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1		Gefitinib Action Pathway	drug_action		13090	46508649	D01977	PA131301952		DAP000657	Gefitinib	CHEMBL939	328134
DB00318	Codeine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	7885194; 12420793	"Mignat C, Wille U, Ziegler A: Affinity profiles of morphine, codeine, dihydrocodeine and their glucuronides at opioid receptor subtypes. Life Sci. 1995;56(10):793-9.@@Schmidt H, Vormfelde Sv, Klinder K, Gundert-Remy U, Gleiter CH, Skopp G, Aderjan R, Fuhr U: Affinities of dihydrocodeine and its metabolites to opioid receptors. Pharmacol Toxicol. 2002 Aug;91(2):57-63."	Approved; Illicit	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; UGT2B7 substrates; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; OAT1/SLC22A6 inhibitors; OCT1 substrates; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Morphine Derivatives; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opium Alkaloids and Derivatives; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; OCT1 inhibitors; Cough and Cold Preparations; Nervous System; Opiate Alkaloids; Opioids"	[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC		Codeine Metabolism Pathway; Codeine Action Pathway	drug_metabolism; drug_action		6750	46507764	D03580	PA449088		DAP000213	Codeine	CHEMBL485	1545976
DB00320	Dihydroergotamine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11752352; 9605573; 1379707; 1324091; 12558771; 1407010; 14744615; 22444161; 23815106	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Lesage AS, Wouters R, Van Gompel P, Heylen L, Vanhoenacker P, Haegeman G, Luyten WH, Leysen JE: Agonistic properties of alniditan, sumatriptan and dihydroergotamine on human 5-HT1B and 5-HT1D receptors expressed in various mammalian cell lines. Br J Pharmacol. 1998 Apr;123(8):1655-65.@@Buzzi MG, Moskowitz MA: The trigemino-vascular system and migraine. Pathol Biol (Paris). 1992 Apr;40(4):313-7.@@Buzzi MG, Dimitriadou V, Theoharides TC, Moskowitz MA: 5-Hydroxytryptamine receptor agonists for the abortive treatment of vascular headaches block mast cell, endothelial and platelet activation within the rat dura mater after trigeminal stimulation. Brain Res. 1992 Jun 26;583(1-2):137-49.@@Silberstein SD, McCrory DC: Ergotamine and dihydroergotamine: history, pharmacology, and efficacy. Headache. 2003 Feb;43(2):144-66.@@Hoyer D, Lery H, Waeber C, Bruinvels AT, Nozulak J, Palacios JM: ""5-HT1R"" or 5-HT1D sites? Evidence for 5-HT1D binding sites in rabbit brain. Naunyn Schmiedebergs Arch Pharmacol. 1992 Sep;346(3):249-54.@@Villalon CM, Centurion D, Willems EW, Arulmani U, Saxena PR, Valdivia LF: 5-HT1B receptors and alpha 2A/2C-adrenoceptors mediate external carotid vasoconstriction to dihydroergotamine. Eur J Pharmacol. 2004 Jan 26;484(2-3):287-90.@@Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	23815106; 22444161	"Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2.@@Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000476	HTR1E	P28566	5HT1E_HUMAN	agonist	22444161; 23815106	"Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	22444161; 23815106	"Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	22444161; 23815106	"Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	22444161; 23815106	"Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22.@@Ramirez Rosas MB, Labruijere S, Villalon CM, Maassen Vandenbrink A: Activation of 5-hydroxytryptamine1B/1D/1F receptors as a mechanism of action of antimigraine drugs. Expert Opin Pharmacother. 2013 Aug;14(12):1599-610. doi: 10.1517/14656566.2013.806487. Epub 2013 Jul 2."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00320	Dihydroergotamine	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	22444161	"Dahlof C, Maassen Van Den Brink A: Dihydroergotamine, ergotamine, methysergide and sumatriptan - basic science in relation to migraine treatment. Headache. 2012 Apr;52(4):707-14. doi: 10.1111/j.1526-4610.2012.02124.x. Epub 2012 Mar 22."	Approved; Investigational	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Peripheral Nervous System Agents; Analgesics; Dopamine Agonists; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Dopamine Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O					3359	46507711	D07837	PA164743028		DAP000078	Dihydroergotamine	CHEMBL1732	3418
DB00321	Amitriptyline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	14744476; 9537821; 8736630	"Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Bryson HM, Wilde MI: Amitriptyline. A review of its pharmacological properties and therapeutic use in chronic pain states. Drugs Aging. 1996 Jun;8(6):459-76. doi: 10.2165/00002512-199608060-00008."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	16140280; 16032412; 14744476; 16079297; 9537821; 17689532; 8736630	"Gould GG, Altamirano AV, Javors MA, Frazer A: A comparison of the chronic treatment effects of venlafaxine and other antidepressants on serotonin and norepinephrine transporters. Biol Psychiatry. 2006 Mar 1;59(5):408-14. Epub 2005 Sep 2.@@Troelsen KB, Nielsen EO, Mirza NR: Chronic treatment with duloxetine is necessary for an anxiolytic-like response in the mouse zero maze: the role of the serotonin transporter. Psychopharmacology (Berl). 2005 Oct;181(4):741-50. Epub 2005 Sep 29.@@Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Ushijima K, Sakaguchi H, Sato Y, To H, Koyanagi S, Higuchi S, Ohdo S: Chronopharmacological study of antidepressants in forced swimming test of mice. J Pharmacol Exp Ther. 2005 Nov;315(2):764-70. Epub 2005 Aug 3.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Werling LL, Keller A, Frank JG, Nuwayhid SJ: A comparison of the binding profiles of dextromethorphan, memantine, fluoxetine and amitriptyline: treatment of involuntary emotional expression disorder. Exp Neurol. 2007 Oct;207(2):248-57. Epub 2007 Jun 30.@@Bryson HM, Wilde MI: Amitriptyline. A review of its pharmacological properties and therapeutic use in chronic pain states. Drugs Aging. 1996 Jun;8(6):459-76. doi: 10.2165/00002512-199608060-00008."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	19828880; 3013380	"Onali P, Dedoni S, Olianas MC: Direct agonist activity of tricyclic antidepressants at distinct opioid receptor subtypes. J Pharmacol Exp Ther. 2010 Jan;332(1):255-65. doi: 10.1124/jpet.109.159939. Epub 2009 Oct 14.@@Carydakis C, Bourhim N, Giraud P, Cantau P, Oliver C, Castanas E: [Direct interaction of tricyclic antidepressants with opiate binding sites in the bovine adrenal medulla]. C R Acad Sci III. 1986;302(11):419-22."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0001039	NTRK1	P04629	NTRK1_HUMAN	agonist	19549602; 27149473; 21666748	"Jang SW, Liu X, Chan CB, Weinshenker D, Hall RA, Xiao G, Ye K: Amitriptyline is a TrkA and TrkB receptor agonist that promotes TrkA/TrkB heterodimerization and has potent neurotrophic activity. Chem Biol. 2009 Jun 26;16(6):644-56. doi: 10.1016/j.chembiol.2009.05.010.@@Zheng X, Chen F, Zheng T, Huang F, Chen J, Tu W: Amitriptyline Activates TrkA to Aid Neuronal Growth and Attenuate Anesthesia-Induced Neurodegeneration in Rat Dorsal Root Ganglion Neurons. Medicine (Baltimore). 2016 May;95(18):e3559. doi: 10.1097/MD.0000000000003559.@@Rantamaki T, Vesa L, Antila H, Di Lieto A, Tammela P, Schmitt A, Lesch KP, Rios M, Castren E: Antidepressant drugs transactivate TrkB neurotrophin receptors in the adult rodent brain independently of BDNF and monoamine transporter blockade. PLoS One. 2011;6(6):e20567. doi: 10.1371/journal.pone.0020567. Epub 2011 Jun 7."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0003605	NTRK2	Q16620	NTRK2_HUMAN	agonist	19549602; 24818146; 27069625	"Jang SW, Liu X, Chan CB, Weinshenker D, Hall RA, Xiao G, Ye K: Amitriptyline is a TrkA and TrkB receptor agonist that promotes TrkA/TrkB heterodimerization and has potent neurotrophic activity. Chem Biol. 2009 Jun 26;16(6):644-56. doi: 10.1016/j.chembiol.2009.05.010.@@Cai J, Hua F, Yuan L, Tang W, Lu J, Yu S, Wang X, Hu Y: Potential therapeutic effects of neurotrophins for acute and chronic neurological diseases. Biomed Res Int. 2014;2014:601084. doi: 10.1155/2014/601084. Epub 2014 Apr 9.@@O'Neill E, Kwok B, Day JS, Connor TJ, Harkin A: Amitriptyline protects against TNF-alpha-induced atrophy and reduction in synaptic markers via a Trk-dependent mechanism. Pharmacol Res Perspect. 2016 Mar 8;4(2):e00195. doi: 10.1002/prp2.195. eCollection 2016 Apr."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7855217; 20363235	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7855217; 39202; 2896792	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Richelson E: Tricyclic antidepressants and histamine H1 receptors. Mayo Clin Proc. 1979 Oct;54(10):669-74.@@Kachur JF, Allbee WE, Gaginella TS: Antihistaminic and antimuscarinic effects of amitriptyline on guinea pig ileal electrolyte transport and muscle contractility in vitro. J Pharmacol Exp Ther. 1988 May;245(2):455-9."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000897	KCNQ2	O43526	KCNQ2_HUMAN	inhibitor	17456683	"Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000112	HRH2	P25021	HRH2_HUMAN	blocker	6103762; 1351926	"Angus JA, Black JW: Pharmacological assay of cardiac H2-receptor blockade by amitriptyline and lysergic acid diethylamide. Circ Res. 1980 Jun;46(6 Pt 2):I64-9.@@Traiffort E, Pollard H, Moreau J, Ruat M, Schwartz JC, Martinez-Mir MI, Palacios JM: Pharmacological characterization and autoradiographic localization of histamine H2 receptors in human brain identified with [125I]iodoaminopotentidine. J Neurochem. 1992 Jul;59(1):290-9."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder	11179435; 19413571	"Nguyen T, Shapiro DA, George SR, Setola V, Lee DK, Cheng R, Rauser L, Lee SP, Lynch KR, Roth BL, O'Dowd BF: Discovery of a novel member of the histamine receptor family. Mol Pharmacol. 2001 Mar;59(3):427-33.@@Connelly WM, Shenton FC, Lethbridge N, Leurs R, Waldvogel HJ, Faull RL, Lees G, Chazot PL: The histamine H4 receptor is functionally expressed on neurons in the mammalian CNS. Br J Pharmacol. 2009 May;157(1):55-63. doi: 10.1111/j.1476-5381.2009.00227.x."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	11339973; 8876023	"Di Matteo V, De Blasi A, Di Giulio C, Esposito E: Role of 5-HT(2C) receptors in the control of central dopamine function. Trends Pharmacol Sci. 2001 May;22(5):229-32.@@Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	20363235	"Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10997731; 23142373	"Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9.@@Liu J, Reid AR, Sawynok J: Spinal serotonin 5-HT7 and adenosine A1 receptors, as well as peripheral adenosine A1 receptors, are involved in antinociception by systemically administered amitriptyline. Eur J Pharmacol. 2013 Jan 5;698(1-3):213-9. doi: 10.1016/j.ejphar.2012.10.042. Epub 2012 Nov 6."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0000659	HTR1D	P28221	5HT1D_HUMAN	binder	17689532	"Werling LL, Keller A, Frank JG, Nuwayhid SJ: A comparison of the binding profiles of dextromethorphan, memantine, fluoxetine and amitriptyline: treatment of involuntary emotional expression disorder. Exp Neurol. 2007 Oct;207(2):248-57. Epub 2007 Jun 30."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0002398	KCNQ3	O43525	KCNQ3_HUMAN	inhibitor	17456683; 26627826	"Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Syeda R, Santos JS, Montal M: The Sensorless Pore Module of Voltage-gated K+ Channel Family 7 Embodies the Target Site for the Anticonvulsant Retigabine. J Biol Chem. 2016 Feb 5;291(6):2931-7. doi: 10.1074/jbc.M115.683185. Epub 2015 Dec 1."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0004890	CHRM1	P08912	ACM5_HUMAN	ligand	20504448; 3567263; 14603; 7855217	"Goldman P, Scranton T, Messer WS Jr: Interaction of amitriptyline with muscarinic receptor subtypes in the rat brain. Neurochem Int. 1989;14(4):447-54.@@Dilsaver SC, Snider RM, Alessi NE: Amitriptyline supersensitizes a central cholinergic mechanism. Biol Psychiatry. 1987 Apr;22(4):495-507.@@Snyder SH, Yamamura HI: Antidepressants and the muscarinic acetylcholine receptor. Arch Gen Psychiatry. 1977 Feb;34(2):236-9.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00321	Amitriptyline	BE0009629	KCNH2	Q9NS40	KCNH7_HUMAN	blocker	10742304; 10510461	"Jo SH, Youm JB, Lee CO, Earm YE, Ho WK: Blockade of the HERG human cardiac K(+) channel by the antidepressant drug amitriptyline. Br J Pharmacol. 2000 Apr;129(7):1474-80. doi: 10.1038/sj.bjp.0703222.@@Teschemacher AG, Seward EP, Hancox JC, Witchel HJ: Inhibition of the current of heterologously expressed HERG potassium channels by imipramine and amitriptyline. Br J Pharmacol. 1999 Sep;128(2):479-85."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; UGT1A1 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Analgesics, Non-Narcotic; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					5979	46508798	D07448	PA448385		DNC001466	Amitriptyline	CHEMBL629	704
DB00323	Tolcapone	BE0002089	COMT	P21964	COMT_HUMAN	inhibitor	11752352; 20502133; 9917075; 15697329; 19503773; 17063156; 18046910; 12538800; 11873938; 10882160; 9808337	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ries V, Selzer R, Eichhorn T, Oertel WH, Eggert K: Replacing a dopamine agonist by the COMT-inhibitor tolcapone as an adjunct to L-dopa in the treatment of Parkinson's disease: a randomized, multicenter, open-label, parallel-group study. Clin Neuropharmacol. 2010 May;33(3):142-50. doi: 10.1097/WNF.0b013e3181d99d6f.@@Guay DR: Tolcapone, a selective catechol-O-methyltransferase inhibitor for treatment of Parkinson's disease. Pharmacotherapy. 1999 Jan;19(1):6-20.@@Keating GM, Lyseng-Williamson KA: Tolcapone: a review of its use in the management of Parkinson's disease. CNS Drugs. 2005;19(2):165-84.@@Truong DD: Tolcapone: review of its pharmacology and use as adjunctive therapy in patients with Parkinson's disease. Clin Interv Aging. 2009;4:109-13. Epub 2009 May 14.@@Apud JA, Mattay V, Chen J, Kolachana BS, Callicott JH, Rasetti R, Alce G, Iudicello JE, Akbar N, Egan MF, Goldberg TE, Weinberger DR: Tolcapone improves cognition and cortical information processing in normal human subjects. Neuropsychopharmacology. 2007 May;32(5):1011-20. Epub 2006 Oct 25.@@Stocchi F, De Pandis MF: Utility of tolcapone in fluctuating Parkinson's disease. Clin Interv Aging. 2006;1(4):317-25.@@Forsberg M, Lehtonen M, Heikkinen M, Savolainen J, Jarvinen T, Mannisto PT: Pharmacokinetics and pharmacodynamics of entacapone and tolcapone after acute and repeated administration: a comparative study in the rat. J Pharmacol Exp Ther. 2003 Feb;304(2):498-506.@@Tai CH, Wu RM: Catechol-O-methyltransferase and Parkinson's disease. Acta Med Okayama. 2002 Feb;56(1):1-6.@@Kaakkola S: Clinical pharmacology, therapeutic use and potential of COMT inhibitors in Parkinson's disease. Drugs. 2000 Jun;59(6):1233-50.@@Ruottinen HM, Rinne UK: COMT inhibition in the treatment of Parkinson's disease. J Neurol. 1998 Nov;245(11 Suppl 3):P25-34."	Approved; Withdrawn	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	Enzyme Inhibitors; Benzene Derivatives; COMT Inhibitors; Benzophenones; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Phenols; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Nitro Compounds; Ketones; Anti-Parkinson Drugs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitrophenols; Central Nervous System Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents	CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O					11615	46504932	D00786	PA451720		DAP000607	Tolcapone	CHEMBL1324	72937
DB00324	Fluorometholone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15684812; 16891588; 16895953; 16980198; 17038445; 17086345	"Samudre SS, Lattanzio FA Jr, Williams PB, Sheppard JD Jr: Comparison of topical steroids for acute anterior uveitis. J Ocul Pharmacol Ther. 2004 Dec;20(6):533-47.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Acne Preparations for Topical Use; Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C					7577	46505984	D01367	PA164781355		DAP001047	Fluorometholone	CHEMBL1200600	4491
DB00327	Hydromorphone	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	17139284; 17016423; 16433932	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gharagozlou P, Hashemi E, DeLorey TM, Clark JD, Lameh J: Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3."	Approved; Illicit	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; UGT2B7 substrates; Semi-synthetic Opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Opiate Agonists; High-risk opioids; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Opiate Alkaloids; Opioids"	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O		Hydromorphone Action Pathway	drug_action		20280	46508700		PA449918		DAP000472	Hydromorphone	CHEMBL398707	3423
DB00328	Indomethacin	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN	inhibitor			Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00328	Indomethacin	BE0003560	PTGR2	Q8N8N7	PTGR2_HUMAN	inhibitor	19000823	"Wu YH, Ko TP, Guo RT, Hu SM, Chuang LM, Wang AH: Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Structure. 2008 Nov 12;16(11):1714-23. doi: 10.1016/j.str.2008.09.007."	Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00328	Indomethacin	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	12689521; 9013583	"Cho MC, Lee HS, Kim JH, Choe YK, Hong JT, Paik SG, Yoon DY: A simple ELISA for screening ligands of peroxisome proliferator-activated receptor-gamma. J Biochem Mol Biol. 2003 Mar 31;36(2):207-13.@@Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00328	Indomethacin	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00328	Indomethacin	BE0000592	AKR1C3	P42330	AK1C3_HUMAN	inhibitor	14996743; 27486833	"Lovering AL, Ride JP, Bunce CM, Desmond JC, Cummings SM, White SA: Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. Cancer Res. 2004 Mar 1;64(5):1802-10.@@Adeniji A, Uddin MJ, Zang T, Tamae D, Wangtrakuldee P, Marnett LJ, Penning TM: Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor. J Med Chem. 2016 Aug 25;59(16):7431-44. doi: 10.1021/acs.jmedchem.6b00160. Epub 2016 Aug 12."	Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00328	Indomethacin	BE0009434	EIF2AK2	P19525	E2AK2_HUMAN	inducer	22268531; 25856684	"Brunelli C, Amici C, Angelini M, Fracassi C, Belardo G, Santoro MG: The non-steroidal anti-inflammatory drug indomethacin activates the eIF2alpha kinase PKR, causing a translational block in human colorectal cancer cells. Biochem J. 2012 Apr 15;443(2):379-86. doi: 10.1042/BJ20111236.@@Amici C, La Frazia S, Brunelli C, Balsamo M, Angelini M, Santoro MG: Inhibition of viral protein translation by indomethacin in vesicular stomatitis virus infection: role of eIF2alpha kinase PKR. Cell Microbiol. 2015 Sep;17(9):1391-404. doi: 10.1111/cmi.12446. Epub 2015 May 13."	Approved; Investigational	Benzoylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Sensory System Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Indoles; Tocolytic Agents; Acetic Acid Derivatives and Related Substances; Cardiovascular Agents; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OAT1/SLC22A6 Substrates; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; BSEP/ABCB11 Substrates; Antigout Preparations; Cyclooxygenase Inhibitors; Immunosuppressive Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A1 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Antirheumatic Agents; Sensory Organs"	COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O		Indomethacin Action Pathway	drug_action		10126	46508291	D00141	PA449982		DAP000617	Indometacin	CHEMBL6	5781
DB00331	Metformin	BE0003887	ETFDH	Q16134	ETFD_HUMAN	inhibitor	22117616; 30619086	"Viollet B, Guigas B, Sanz Garcia N, Leclerc J, Foretz M, Andreelli F: Cellular and molecular mechanisms of metformin: an overview. Clin Sci (Lond). 2012 Mar;122(6):253-70. doi: 10.1042/CS20110386.@@Fontaine E: Metformin-Induced Mitochondrial Complex I Inhibition: Facts, Uncertainties, and Consequences. Front Endocrinol (Lausanne). 2018 Dec 17;9:753. doi: 10.3389/fendo.2018.00753. eCollection 2018."	Approved	Biguanides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Drugs Used in Diabetes; MATE 1 Substrates; OCT1 substrates; MATE 2 Substrates; Oral Hypoglycemics; OCT2 Inhibitors; Amidines; Biguanides; Guanidines; Drugs that are Mainly Renally Excreted; MATE substrates; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; OCT2 Substrates	CN(C)C(=N)NC(N)=N					10147	46507752	D04966	PA450395		DAP000205	Metformin	CHEMBL1431	6809
DB00332	Ipratropium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	15987237; 28546381; 30085570	"Wellington K: Ipratropium bromide HFA. Treat Respir Med. 2005;4(3):215-20; discussion 221-2.@@Rehder KJ: Adjunct Therapies for Refractory Status Asthmaticus in Children. Respir Care. 2017 Jun;62(6):849-865. doi: 10.4187/respcare.05174.@@Almadhoun K, Sharma S: Bronchodilators ."	Approved; Experimental	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Agents to Treat Airway Disease; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Tropanes; Anticholinergic Agents; Adrenergics, Inhalants; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Muscarinic Antagonists; Neurotransmitter Agents"	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C					1945	46506138		PA450082		DNC000806	Ipratropium_bromide	CHEMBL1621597	7213
DB00332	Ipratropium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	15987237; 28546381; 30085570	"Wellington K: Ipratropium bromide HFA. Treat Respir Med. 2005;4(3):215-20; discussion 221-2.@@Rehder KJ: Adjunct Therapies for Refractory Status Asthmaticus in Children. Respir Care. 2017 Jun;62(6):849-865. doi: 10.4187/respcare.05174.@@Almadhoun K, Sharma S: Bronchodilators ."	Approved; Experimental	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Agents to Treat Airway Disease; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Tropanes; Anticholinergic Agents; Adrenergics, Inhalants; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Muscarinic Antagonists; Neurotransmitter Agents"	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C					1945	46506138		PA450082		DNC000806	Ipratropium_bromide	CHEMBL1621597	7213
DB00333	Methadone	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	agonist	26231941; 25196810	"Talka R, Tuominen RK, Salminen O: Methadone's effect on nAChRs--a link between methadone use and smoking? Biochem Pharmacol. 2015 Oct 15;97(4):542-549. doi: 10.1016/j.bcp.2015.07.031. Epub 2015 Jul 29.@@Talka R, Salminen O, Tuominen RK: Methadone is a non-competitive antagonist at the alpha4beta2 and alpha3* nicotinic acetylcholine receptors and an agonist at the alpha7 nicotinic acetylcholine receptor. Basic Clin Pharmacol Toxicol. 2015 Apr;116(4):321-8. doi: 10.1111/bcpt.12317. Epub 2014 Oct 7."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1		Methadone Metabolism Pathway; Methadone Action Pathway	drug_metabolism; drug_action		6417	46505722	D08195	PA450401		DAP000267	Methadone	CHEMBL651	6813
DB00333	Methadone	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	26231941; 25196810	"Talka R, Tuominen RK, Salminen O: Methadone's effect on nAChRs--a link between methadone use and smoking? Biochem Pharmacol. 2015 Oct 15;97(4):542-549. doi: 10.1016/j.bcp.2015.07.031. Epub 2015 Jul 29.@@Talka R, Salminen O, Tuominen RK: Methadone is a non-competitive antagonist at the alpha4beta2 and alpha3* nicotinic acetylcholine receptors and an agonist at the alpha7 nicotinic acetylcholine receptor. Basic Clin Pharmacol Toxicol. 2015 Apr;116(4):321-8. doi: 10.1111/bcpt.12317. Epub 2014 Oct 7."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1		Methadone Metabolism Pathway; Methadone Action Pathway	drug_metabolism; drug_action		6417	46505722	D08195	PA450401		DAP000267	Methadone	CHEMBL651	6813
DB00333	Methadone	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	antagonist	26231941; 25196810	"Talka R, Tuominen RK, Salminen O: Methadone's effect on nAChRs--a link between methadone use and smoking? Biochem Pharmacol. 2015 Oct 15;97(4):542-549. doi: 10.1016/j.bcp.2015.07.031. Epub 2015 Jul 29.@@Talka R, Salminen O, Tuominen RK: Methadone is a non-competitive antagonist at the alpha4beta2 and alpha3* nicotinic acetylcholine receptors and an agonist at the alpha7 nicotinic acetylcholine receptor. Basic Clin Pharmacol Toxicol. 2015 Apr;116(4):321-8. doi: 10.1111/bcpt.12317. Epub 2014 Oct 7."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Ketones; Opiate Agonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Thyroxine-binding globulin inducers; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Diphenylpropylamine Derivatives; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Opioids	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1		Methadone Metabolism Pathway; Methadone Action Pathway	drug_metabolism; drug_action		6417	46505722	D08195	PA450401		DAP000267	Methadone	CHEMBL651	6813
DB00334	Olanzapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 16730699; 14575800; 17092971; 17067304; 16513877; 17316700; 17848919; 25032030	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Naiker DV, Catts SV, Catts VS, Bedi KS, Bryan-Lluka LJ: Dose determination of haloperidol, risperidone and olanzapine using an in vivo dopamine D2-receptor occupancy method in the rat. Eur J Pharmacol. 2006 Jul 1;540(1-3):87-90. Epub 2006 May 11.@@Weizman T, Pick CG, Backer MM, Rigai T, Bloch M, Schreiber S: The antinociceptive effect of amisulpride in mice is mediated through opioid mechanisms. Eur J Pharmacol. 2003 Oct 8;478(2-3):155-9.@@Jordan S, Regardie K, Johnson JL, Chen R, Kambayashi J, McQuade R, Kitagawa H, Tadori Y, Kikuchi T: In vitro functional characteristics of dopamine D2 receptor partial agonists in second and third messenger-based assays of cloned human dopamine D2Long receptor signalling. J Psychopharmacol. 2007 Aug;21(6):620-7. Epub 2006 Nov 8.@@Thacker SK, Perna MK, Ward JJ, Schaefer TL, Williams MT, Kostrzewa RM, Brown RW: The effects of adulthood olanzapine treatment on cognitive performance and neurotrophic factor content in male and female rats neonatally treated with quinpirole. Eur J Neurosci. 2006 Oct;24(7):2075-83.@@Lencz T, Robinson DG, Xu K, Ekholm J, Sevy S, Gunduz-Bruce H, Woerner MG, Kane JM, Goldman D, Malhotra AK: DRD2 promoter region variation as a predictor of sustained response to antipsychotic medication in first-episode schizophrenia patients. Am J Psychiatry. 2006 Mar;163(3):529-31.@@Uchida S, Kato Y, Hirano K, Kagawa Y, Yamada S: Brain neurotransmitter receptor-binding characteristics in rats after oral administration of haloperidol, risperidone and olanzapine. Life Sci. 2007 Apr 3;80(17):1635-40. Epub 2007 Jan 27.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	11752352; 17848919; 25032030	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	11752352; 16336943; 17624999; 16983399; 16918396; 16952163; 10227113; 25032030	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Zhang JY, Kowal DM, Nawoschik SP, Lou Z, Dunlop J: Distinct functional profiles of aripiprazole and olanzapine at RNA edited human 5-HT2C receptor isoforms. Biochem Pharmacol. 2006 Feb 14;71(4):521-9. Epub 2005 Dec 5.@@Overstreet DH, Knapp DJ, Breese GR: Drug challenges reveal differences in mediation of stress facilitation of voluntary alcohol drinking and withdrawal-induced anxiety in alcohol-preferring P rats. Alcohol Clin Exp Res. 2007 Sep;31(9):1473-81. Epub 2007 Jul 11.@@Theisen FM, Haberhausen M, Firnges MA, Gregory P, Reinders JH, Remschmidt H, Hebebrand J, Antel J: No evidence for binding of clozapine, olanzapine and/or haloperidol to selected receptors involved in body weight regulation. Pharmacogenomics J. 2007 Aug;7(4):275-81. Epub 2006 Sep 19.@@Wood MD, Scott C, Clarke K, Cato KJ, Patel N, Heath J, Worby A, Gordon L, Campbell L, Riley G, Davies CH, Gribble A, Jones DN: Pharmacological profile of antipsychotics at monoamine receptors: atypicality beyond 5-HT2A receptor blockade. CNS Neurol Disord Drug Targets. 2006 Aug;5(4):445-52.@@Hertel P: Comparing sertindole to other new generation antipsychotics on preferential dopamine output in limbic versus striatal projection regions: mechanism of action. Synapse. 2006 Dec 1;60(7):543-52.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 15729086; 16141369; 15893120; 17316700; 10227113; 25032030	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Poyurovsky M, Pashinian A, Levi A, Weizman R, Weizman A: The effect of betahistine, a histamine H1 receptor agonist/H3 antagonist, on olanzapine-induced weight gain in first-episode schizophrenia patients. Int Clin Psychopharmacol. 2005 Mar;20(2):101-3.@@Rasmussen K, Benvenga MJ, Bymaster FP, Calligaro DO, Cohen IR, Falcone JF, Hemrick-Luecke SK, Martin FM, Moore NA, Nisenbaum LK, Schaus JM, Sundquist SJ, Tupper DE, Wiernicki TR, Nelson DL: Preclinical pharmacology of FMPD [6-fluoro-10-[3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-2-methyl-4H-3-thia-4,9- diaza-benzo[f]azulene]: a potential novel antipsychotic with lower histamine H1 receptor affinity than olanzapine. J Pharmacol Exp Ther. 2005 Dec;315(3):1265-77. Epub 2005 Sep 1.@@Altschuler EL, Kast RE: Using histamine (H1) antagonists, in particular atypical antipsychotics, to treat anemia of chronic disease via interleukin-6 suppression. Med Hypotheses. 2005;65(1):65-7.@@Uchida S, Kato Y, Hirano K, Kagawa Y, Yamada S: Brain neurotransmitter receptor-binding characteristics in rats after oral administration of haloperidol, risperidone and olanzapine. Life Sci. 2007 Apr 3;80(17):1635-40. Epub 2007 Jan 27.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17848919; 10227113; 25032030	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	11752352; 17316700; 17848919; 10227113	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Uchida S, Kato Y, Hirano K, Kagawa Y, Yamada S: Brain neurotransmitter receptor-binding characteristics in rats after oral administration of haloperidol, risperidone and olanzapine. Life Sci. 2007 Apr 3;80(17):1635-40. Epub 2007 Jan 27.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17848919; 10227113; 25032030	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17848919; 10227113; 25032030	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Bymaster FP, Nelson DL, DeLapp NW, Falcone JF, Eckols K, Truex LL, Foreman MM, Lucaites VL, Calligaro DO: Antagonism by olanzapine of dopamine D1, serotonin2, muscarinic, histamine H1 and alpha 1-adrenergic receptors in vitro. Schizophr Res. 1999 May 4;37(1):107-22.@@Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0004958	HTR1A	P30939	5HT1F_HUMAN	inhibitor	25032030	"Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00334	Olanzapine	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	inhibitor	25032030	"Brafford MV, Glode A: Olanzapine: an antiemetic option for chemotherapy-induced nausea and vomiting. J Adv Pract Oncol. 2014 Jan;5(1):24-9."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Hypotensive Agents; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Benzazepines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antiemetics; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2					1	46507666	D00454	PA450688		DAP000022	Olanzapine	CHEMBL715	61381
DB00337	Pimecrolimus	BE0002386	MTOR	P42345	MTOR_HUMAN	potentiator	12113647	"Reitamo S, Remitz A, Kyllonen H, Saarikko J: Topical noncorticosteroid immunomodulation in the treatment of atopic dermatitis. Am J Clin Dermatol. 2002;3(6):381-8."	Approved; Investigational	Macrolide lactams	Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams	"Calcineurin Inhibitor Immunosuppressant; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Peptidylprolyl Isomerase, antagonists & inhibitors; Dermatologicals; Cytochrome P-450 Substrates; Immunologic Factors; Misc. Skin and Mucous Membrane Agents; Analgesics, Non-Narcotic; Lactones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Immunosuppressive Agents; Agents for Dermatitis, Excluding Corticosteroids; Calcineurin Inhibitors"	[H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC					12077	46505748		PA164783790		DAP000594	Pimecrolimus	CHEMBL1200686	321952
DB00338	Omeprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	18679668; 18925391; 18536934; 17425287; 679668; 16700898	"Shi S, Klotz U: Proton pump inhibitors: an update of their clinical use and pharmacokinetics. Eur J Clin Pharmacol. 2008 Oct;64(10):935-51. doi: 10.1007/s00228-008-0538-y. Epub 2008 Aug 5.@@Kirchheiner J, Glatt S, Fuhr U, Klotz U, Meineke I, Seufferlein T, Brockmoller J: Relative potency of proton-pump inhibitors-comparison of effects on intragastric pH. Eur J Clin Pharmacol. 2009 Jan;65(1):19-31. doi: 10.1007/s00228-008-0576-5. Epub  2008 Oct 17.@@Shin JM, Munson K, Vagin O, Sachs G: The gastric HK-ATPase: structure, function, and inhibition. Pflugers Arch. 2009 Jan;457(3):609-22. doi: 10.1007/s00424-008-0495-4. Epub 2008 Jun 6.@@Munson K, Law RJ, Sachs G: Analysis of the gastric H,K ATPase for ion pathways and inhibitor binding sites. Biochemistry. 2007 May 8;46(18):5398-417. doi: 10.1021/bi062305h. Epub 2007 Apr 11.@@Zuger B: Effeminate behavior present in boys from childhood: ten additional years of follow-up. Compr Psychiatry. 1978 Jul-Aug;19(4):363-9.@@Sachs G, Shin JM, Howden CW: Review article: the clinical pharmacology of proton pump inhibitors. Aliment Pharmacol Ther. 2006 Jun;23 Suppl 2:2-8. doi: 10.1111/j.1365-2036.2006.02943.x."	Approved; Investigational; Vet_approved	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C		Omeprazole Metabolism Pathway; Omeprazole Action Pathway	drug_metabolism; drug_action		1250	46509065	D00455	PA10075		DAP000180	Omeprazole	CHEMBL1503	7646
DB00338	Omeprazole	BE0003721	AHR	P35869	AHR_HUMAN	agonist	9139728	"Dzeletovic N, McGuire J, Daujat M, Tholander J, Ema M, Fujii-Kuriyama Y, Bergman J, Maurel P, Poellinger L: Regulation of dioxin receptor function by omeprazole. J Biol Chem. 1997 May 9;272(19):12705-13."	Approved; Investigational; Vet_approved	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C		Omeprazole Metabolism Pathway; Omeprazole Action Pathway	drug_metabolism; drug_action		1250	46509065	D00455	PA10075		DAP000180	Omeprazole	CHEMBL1503	7646
DB00340	Metixene	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	12608172; 14315148; 5330346; 4866169	"Authors unspecified: Evaluation of an antispasmodic agent. Methixene hydrochloride (Trest). JAMA. 1966 Mar 7;195(10):851. doi: 10.1001/jama.1966.03100100103030.@@ABRUZZI W: THE USE OF METHIXENE HYDROCHLORIDE TO RELIEVE FUNCTIONAL GASTROINTESTINAL DISORDERS. J New Drugs. 1965 Mar-Apr;5(2):109-13. doi: 10.1002/j.1552-4604.1965.tb00233.x.@@Clarke S, Hay GA, Vas CJ: Therapeutic action of methixene hydrochloride on Parkinsonian tremor and a description of a new tremor-recording transducer. Br J Pharmacol Chemother. 1966 Feb;26(2):345-50. doi: 10.1111/j.1476-5381.1966.tb01913.x.@@Norris JW, Vas CJ: Mehixene hydrochloride and parkinsonian tremor. Acta Neurol Scand. 1967;43(4):535-8. doi: 10.1111/j.1600-0404.1967.tb05760.x."	Approved	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Nervous System; Sulfur Compounds; Tertiary Amines; Agents producing tachycardia; Xanthenes"	CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1						46508970	D01871	PA164783811		DAP000346	Metixene	CHEMBL1201342	29682
DB00341	Cetirizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	12787835; 15286093; 14505791; 10597865; 15942272; 14680442; 23867423	"Christophe B, Carlier B, Gillard M, Chatelain P, Peck M, Massingham R: Histamine H1 receptor antagonism by cetirizine in isolated guinea pig tissues: influence of receptor reserve and dissociation kinetics. Eur J Pharmacol. 2003 May 30;470(1-2):87-94.@@Tashiro M, Sakurada Y, Iwabuchi K, Mochizuki H, Kato M, Aoki M, Funaki Y, Itoh M, Iwata R, Wong DF, Yanai K: Central effects of fexofenadine and cetirizine: measurement of psychomotor performance, subjective sleepiness, and brain histamine H1-receptor occupancy using 11C-doxepin positron emission tomography. J Clin Pharmacol. 2004 Aug;44(8):890-900.@@Tillement JP, Testa B, Bree F: Compared pharmacological characteristics in humans of racemic cetirizine and levocetirizine, two histamine H1-receptor antagonists. Biochem Pharmacol. 2003 Oct 1;66(7):1123-6.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Portnoy JM, Dinakar C: Review of cetirizine hydrochloride for the treatment of allergic disorders. Expert Opin Pharmacother. 2004 Jan;5(1):125-35. doi: 10.1517/14656566.5.1.125 .@@Zhang L, Cheng L, Hong J: The clinical use of cetirizine in the treatment of allergic rhinitis. Pharmacology. 2013;92(1-2):14-25. doi: 10.1159/000351843. Epub 2013 Jul 18."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anti-Allergic Agents; Ophthalmologicals; Decongestants and Antiallergics; Central Nervous System Depressants; Piperazine Derivatives; Histamine Antagonists; Piperazines; QTc Prolonging Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Antihistamines for Systemic Use; Histamine Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Sensory Organs"	OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1		Cetirizine H1-Antihistamine Action	drug_action		7942	46508368		PA448905		DAP000323	Cetirizine	CHEMBL1000	20610
DB00342	Terfenadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 9485522; 8001268; 7654486; 2569356; 2879489	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kishimoto W, Hiroi T, Sakai K, Funae Y, Igarashi T: Metabolism of epinastine, a histamine H1 receptor antagonist, in human liver microsomes in comparison with that of terfenadine. Res Commun Mol Pathol Pharmacol. 1997 Dec;98(3):273-92.@@Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Wood-Baker R, Smith R, Holgate ST: A double-blind, placebo controlled study of the effect of the specific histamine H1-receptor antagonist, terfenadine, in chronic severe asthma. Br J Clin Pharmacol. 1995 Jun;39(6):671-5.@@Phillips GD, Polosa R, Holgate ST: The effect of histamine-H1 receptor antagonism with terfenadine on concentration-related AMP-induced bronchoconstriction in asthma. Clin Exp Allergy. 1989 Jul;19(4):405-9.@@Rafferty P, Holgate ST: Terfenadine (Seldane) is a potent and selective histamine H1 receptor antagonist in asthmatic airways. Am Rev Respir Dis. 1987 Jan;135(1):181-4."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1		Terfenadine H1-Antihistamine Action	drug_action		1918	46507007	D00521	PA451619		DAP000102	Terfenadine	CHEMBL17157	42330
DB00342	Terfenadine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1		Terfenadine H1-Antihistamine Action	drug_action		1918	46507007	D00521	PA451619		DAP000102	Terfenadine	CHEMBL17157	42330
DB00342	Terfenadine	BE0000247	CHRM5	P08912	ACM5_HUMAN	binder	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1		Terfenadine H1-Antihistamine Action	drug_action		1918	46507007	D00521	PA451619		DAP000102	Terfenadine	CHEMBL17157	42330
DB00342	Terfenadine	BE0000560	CHRM2	P08172	ACM2_HUMAN	binder	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Muscarinic Antagonists; Piperidines; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1		Terfenadine H1-Antihistamine Action	drug_action		1918	46507007	D00521	PA451619		DAP000102	Terfenadine	CHEMBL17157	42330
DB00343	Diltiazem	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	blocker	10226758	"O'Connor SE, Grosset A, Janiak P: The pharmacological basis and pathophysiological significance of the heart rate-lowering property of diltiazem. Fundam Clin Pharmacol. 1999;13(2):145-53."	Approved; Investigational	Benzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Benzothiazepine Derivatives; QTc Prolonging Agents; Miscellaneous Calcium-channel Blocking Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A Inhibitors; Negative Inotrope; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Benzazepines; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Selective Calcium Channel Blockers With Direct Cardiac Effects; Vasoprotectives"	COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O		Diltiazem Action Pathway	drug_action		1926	46505667	D07845	PA449334		DAP001262	Diltiazem	CHEMBL23	3443
DB00343	Diltiazem	BE0000679	CACNG1	Q06432	CCG1_HUMAN	blocker	19929811; 15320693	"Budriesi R, Ioan P, Carosati E, Cruciani G, Zhorov BS, Chiarini A: Ligands of diltiazem binding site: an overview of some chemotypes. Mini Rev Med Chem. 2009 Oct;9(12):1379-88.@@Romero M, Sanchez I, Pujol MD: New advances in the field of calcium channel antagonists: cardiovascular effects and structure-activity relationships. Curr Med Chem Cardiovasc Hematol Agents. 2003 Jun;1(2):113-41."	Approved; Investigational	Benzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Benzothiazepine Derivatives; QTc Prolonging Agents; Miscellaneous Calcium-channel Blocking Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A Inhibitors; Negative Inotrope; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Benzazepines; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Selective Calcium Channel Blockers With Direct Cardiac Effects; Vasoprotectives"	COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O		Diltiazem Action Pathway	drug_action		1926	46505667	D07845	PA449334		DAP001262	Diltiazem	CHEMBL23	3443
DB00344	Protriptyline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17139284; 17016423; 9537821; 8684598	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Cheetham SC, Viggers JA, Butler SA, Prow MR, Heal DJ: [3H]nisoxetine--a radioligand for noradrenaline reuptake sites: correlation with inhibition of [3H]noradrenaline uptake and effect of DSP-4 lesioning and antidepressant treatments. Neuropharmacology. 1996 Jan;35(1):63-70."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Psychoanaleptics; Benzocycloheptenes; Membrane Transport Modulators; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12					9430	46505128	D08447	PA451168		DAP000863	Protriptyline	CHEMBL668	8886
DB00344	Protriptyline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9672904; 8767026; 9928259; 9694957; 9537821; 1476595	"McDougle CJ, Epperson CN, Price LH, Gelernter J: Evidence for linkage disequilibrium between serotonin transporter protein gene (SLC6A4) and obsessive compulsive disorder. Mol Psychiatry. 1998 May;3(3):270-3.@@Rouillon F, Blachier C, Dreyfus JP, Bouhassira M, Allicar MP: [Pharmaco-epidemiologic study of the use of antidepressant drugs in the general population]. Encephale. 1996 May;22 Spec No 1:39-48.@@Frazer A, Daws LC: Serotonin transporter function in vivo: assessment by chronoamperometry. Ann N Y Acad Sci. 1998 Dec 15;861:217-29.@@Daws LC, Toney GM, Gerhardt GA, Frazer A: In vivo chronoamperometric measures of extracellular serotonin clearance in rat dorsal hippocampus: contribution of serotonin and norepinephrine transporters. J Pharmacol Exp Ther. 1998 Aug;286(2):967-76.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Kovachich GB, Aronson CE, Brunswick DJ: Effect of repeated administration of antidepressants on serotonin uptake sites in limbic and neocortical structures of rat brain determined by quantitative autoradiography. Neuropsychopharmacology. 1992 Dec;7(4):317-24."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Psychoanaleptics; Benzocycloheptenes; Membrane Transport Modulators; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12					9430	46505128	D08447	PA451168		DAP000863	Protriptyline	CHEMBL668	8886
DB00346	Alfuzosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	8799556; 12892027; 9122046; 15639685; 9223558; 8196478; 9870119; 16613526; 16553574; 11750253	"Kenny BA, Miller AM, Williamson IJ, O'Connell J, Chalmers DH, Naylor AM: Evaluation of the pharmacological selectivity profile of alpha 1 adrenoceptor antagonists at prostatic alpha 1 adrenoceptors: binding, functional and in vivo studies. Br J Pharmacol. 1996 Jun;118(4):871-8.@@Lee M: Alfuzosin hydrochloride for the treatment of benign prostatic hyperplasia. Am J Health Syst Pharm. 2003 Jul 15;60(14):1426-39.@@Andersson KE, Lepor H, Wyllie MG: Prostatic alpha 1-adrenoceptors and uroselectivity. Prostate. 1997 Feb 15;30(3):202-15.@@Lowe FC: Role of the newer alpha, -adrenergic-receptor antagonists in the treatment of benign prostatic hyperplasia-related lower urinary tract symptoms. Clin Ther. 2004 Nov;26(11):1701-13.@@Martin DJ, Lluel P, Guillot E, Coste A, Jammes D, Angel I: Comparative alpha-1 adrenoceptor subtype selectivity and functional uroselectivity of alpha-1 adrenoceptor antagonists. J Pharmacol Exp Ther. 1997 Jul;282(1):228-35.@@Faure C, Pimoule C, Vallancien G, Langer SZ, Graham D: Identification of alpha 1-adrenoceptor subtypes present in the human prostate. Life Sci. 1994;54(21):1595-605.@@Beique L, Por CP, Evans MF: Are the new selective alpha-blockers better than non-selective alpha-blockers for benign prostatic hyperplasia? Can Fam Physician. 1998 Dec;44:2659-62.@@McVary KT: BPH: epidemiology and comorbidities. Am J Manag Care. 2006 Apr;12(5 Suppl):S122-8.@@Elhilali MM: Alfuzosin: an alpha1-receptor blocker for the treatment of lower urinary tract symptoms associated with benign prostatic hyperplasia. Expert Opin Pharmacother. 2006 Apr;7(5):583-96.@@Roehrborn CG: Alfuzosin: overview of pharmacokinetics, safety, and efficacy of a clinically uroselective alpha-blocker. Urology. 2001 Dec;58(6 Suppl 1):55-63; discussion 63-4."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Prostatic Hyperplasia; QTc Prolonging Agents; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy"	COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1					12699	46508512	D07124	PA164774795		DCL000664	Alfuzosin	CHEMBL709	17300
DB00346	Alfuzosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	8799556; 9122046; 15639685; 8196478; 9870119; 16613526; 16553574; 11750253	"Kenny BA, Miller AM, Williamson IJ, O'Connell J, Chalmers DH, Naylor AM: Evaluation of the pharmacological selectivity profile of alpha 1 adrenoceptor antagonists at prostatic alpha 1 adrenoceptors: binding, functional and in vivo studies. Br J Pharmacol. 1996 Jun;118(4):871-8.@@Andersson KE, Lepor H, Wyllie MG: Prostatic alpha 1-adrenoceptors and uroselectivity. Prostate. 1997 Feb 15;30(3):202-15.@@Lowe FC: Role of the newer alpha, -adrenergic-receptor antagonists in the treatment of benign prostatic hyperplasia-related lower urinary tract symptoms. Clin Ther. 2004 Nov;26(11):1701-13.@@Faure C, Pimoule C, Vallancien G, Langer SZ, Graham D: Identification of alpha 1-adrenoceptor subtypes present in the human prostate. Life Sci. 1994;54(21):1595-605.@@Beique L, Por CP, Evans MF: Are the new selective alpha-blockers better than non-selective alpha-blockers for benign prostatic hyperplasia? Can Fam Physician. 1998 Dec;44:2659-62.@@McVary KT: BPH: epidemiology and comorbidities. Am J Manag Care. 2006 Apr;12(5 Suppl):S122-8.@@Elhilali MM: Alfuzosin: an alpha1-receptor blocker for the treatment of lower urinary tract symptoms associated with benign prostatic hyperplasia. Expert Opin Pharmacother. 2006 Apr;7(5):583-96.@@Roehrborn CG: Alfuzosin: overview of pharmacokinetics, safety, and efficacy of a clinically uroselective alpha-blocker. Urology. 2001 Dec;58(6 Suppl 1):55-63; discussion 63-4."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Prostatic Hyperplasia; QTc Prolonging Agents; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy"	COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1					12699	46508512	D07124	PA164774795		DCL000664	Alfuzosin	CHEMBL709	17300
DB00347	Trimethadione	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	17139284; 17016423; 17291698; 16171802; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shen H, Zhang B, Shin JH, Lei D, Du Y, Gao X, Wang Q, Ohlemiller KK, Piccirillo J, Bao J: Prophylactic and therapeutic functions of T-type calcium blockers against noise-induced hearing loss. Hear Res. 2007 Apr;226(1-2):52-60. Epub 2006 Dec 31.@@Barton ME, Eberle EL, Shannon HE: The antihyperalgesic effects of the T-type calcium channel blockers ethosuximide, trimethadione, and mibefradil. Eur J Pharmacol. 2005 Oct 3;521(1-3):79-85. Epub 2005 Sep 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Oxazolidinediones	Organic compounds; Organoheterocyclic compounds; Azolidines; Oxazolidines	QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Oxazolidine Derivatives; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates; Oxazoles; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CN1C(=O)OC(C)(C)C1=O						46504478	D00392	PA164744924		DAP001265	Trimethadione	CHEMBL695	10827
DB00349	Clobazam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	11752090; 18384456	"Mohler H, Fritschy JM, Rudolph U: A new benzodiazepine pharmacology. J Pharmacol Exp Ther. 2002 Jan;300(1):2-8.@@Riss J, Cloyd J, Gates J, Collins S: Benzodiazepines in epilepsy: pharmacology and pharmacokinetics. Acta Neurol Scand. 2008 Aug;118(2):69-86. doi: 10.1111/j.1600-0404.2008.01004.x. Epub 2008 Mar 31."	Approved; Illicit	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; UGT1A6 Inhibitors; GABA Agonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; UGT1A4 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O					1995	46506115	D01253	PA10888		DAP000672	Clobazam	CHEMBL70418	21241
DB00349	Clobazam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; UGT1A6 Inhibitors; GABA Agonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; UGT1A4 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O					1995	46506115	D01253	PA10888		DAP000672	Clobazam	CHEMBL70418	21241
DB00350	Minoxidil	BE0000270	REN	P00797	RENI_HUMAN		790007	Werning C: The effect of minoxidil on blood pressure and plasma renin activity in patients with essential and renal hypertension. Klin Wochenschr. 1976 Aug 1;54(15):727-34.	Approved; Investigational	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Piperidines; Arteriolar Vasodilator; Direct Vasodilators; UGT1A1 Substrates; Potassium Channel Opener; Antihypertensive Agents; Pyrimidine Derivatives; Pyrimidines; Arteriolar Smooth Muscle, Agents Acting On; Vasodilating Agents; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Arteriolar Vasodilation"	NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1					2011	46508344	D00418	PA450521		DAP000143	Minoxidil	CHEMBL802	6984
DB00351	Megestrol acetate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	19731987; 14687437; 16343217; 15086241; 19434889; 15595341; 9744490; 2982481; 11752352	"Vadivelu S, Sharer L, Schulder M: Regression of multiple intracranial meningiomas after cessation of long-term progesterone agonist therapy. J Neurosurg. 2010 May;112(5):920-4. doi: 10.3171/2009.8.JNS09201.@@Mokbel K: Focus on anastrozole and breast cancer. Curr Med Res Opin. 2003;19(8):683-8.@@Wentling GK, Sevin BU, Geiger XJ, Bridges MD: Benign metastasizing leiomyoma responsive to megestrol: case report and review of the literature. Int J Gynecol Cancer. 2005 Nov-Dec;15(6):1213-7.@@Gruber T, Dare AO, Balos LL, Lele S, Fenstermaker RA: Multiple meningiomas arising during long-term therapy with the progesterone agonist megestrol acetate. Case report. J Neurosurg. 2004 Feb;100(2):328-31.@@Schindler AE, Campagnoli C, Druckmann R, Huber J, Pasqualini JR, Schweppe KW, Thijssen JH: Classification and pharmacology of progestins. Maturitas. 2008 Sep-Oct;61(1-2):171-80.@@Wermers RA, Hurley DL, Kearns AE: Osteoporosis associated with megestrol acetate. Mayo Clin Proc. 2004 Dec;79(12):1557-61.@@Wiedemann K, Hirschmann M, Knaudt K, Rupprecht R, Seier FE, Holsboer F: Sleep endocrine effects of megestrol acetate in healthy men. J Neuroendocrinol. 1998 Sep;10(9):719-27.@@Lamberts SW, Uitterlinden P, Bons EG, Verleun T: Comparison of the actions of RU 38486 and megestrol acetate in the model of a transplantable adrenocorticotropin- and prolactin-secreting rat pituitary tumor. Cancer Res. 1985 Mar;45(3):1015-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Central Nervous System Stimulants; Progestins; Cytochrome P-450 Substrates; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Megestrol; Contraceptive Agents, Hormonal; Appetite Stimulants; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Endocrine Therapy; Central Nervous System Agents; Hormones and Related Agents; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnadienes; Pregnanes"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C					7534	46505827	D00952	PA450351		DAP000861	Megestrol	CHEMBL1201139	29451
DB00351	Megestrol acetate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15595341; 18411198; 9744490; 9195366; 2982481; 6222739	"Wermers RA, Hurley DL, Kearns AE: Osteoporosis associated with megestrol acetate. Mayo Clin Proc. 2004 Dec;79(12):1557-61.@@Gonzalez Villarroel P, Fernandez Perez I, Paramo C, Gentil Gonzalez M, Carnero Lopez B, Vazquez Tunas ML, Carrasco Alvarez JA: Megestrol acetate-induced adrenal insufficiency. Clin Transl Oncol. 2008 Apr;10(4):235-7.@@Wiedemann K, Hirschmann M, Knaudt K, Rupprecht R, Seier FE, Holsboer F: Sleep endocrine effects of megestrol acetate in healthy men. J Neuroendocrinol. 1998 Sep;10(9):719-27.@@Chao Y, Chan WK, Wang SS, Lai KH, Chi CW, Lin CY, Chan A, Whang-Peng J, Lui WY, Lee SD: Phase II study of megestrol acetate in the treatment of hepatocellular carcinoma. J Gastroenterol Hepatol. 1997 Apr;12(4):277-81.@@Lamberts SW, Uitterlinden P, Bons EG, Verleun T: Comparison of the actions of RU 38486 and megestrol acetate in the model of a transplantable adrenocorticotropin- and prolactin-secreting rat pituitary tumor. Cancer Res. 1985 Mar;45(3):1015-9.@@Kontula K, Paavonen T, Luukkainen T, Andersson LC: Binding of progestins to the glucocorticoid receptor. Correlation to their glucocorticoid-like effects on in vitro functions of human mononuclear leukocytes. Biochem Pharmacol. 1983 May 1;32(9):1511-8."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Central Nervous System Stimulants; Progestins; Cytochrome P-450 Substrates; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Megestrol; Contraceptive Agents, Hormonal; Appetite Stimulants; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Endocrine Therapy; Central Nervous System Agents; Hormones and Related Agents; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnadienes; Pregnanes"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C					7534	46505827	D00952	PA450351		DAP000861	Megestrol	CHEMBL1201139	29451
DB00354	Buclizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Potential QTc-Prolonging Agents; Anticholinergic Agents; Muscarinic Antagonists; Piperazine Derivatives; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine Agents; Antihistamines for Systemic Use; Agents producing tachycardia	CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1		Buclizine H1-Antihistamine Action	drug_action			46507608	D07547	PA164748223		DAP001076	Buclizine	CHEMBL1201271	59636
DB00356	Chlorzoxazone	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN		16859676; 20505091; 10712246	"Dong DL, Luan Y, Feng TM, Fan CL, Yue P, Sun ZJ, Gu RM, Yang BF: Chlorzoxazone inhibits contraction of rat thoracic aorta. Eur J Pharmacol. 2006 Sep 18;545(2-3):161-6. Epub 2006 Jun 29.@@Alvina K, Khodakhah K: KCa channels as therapeutic targets in episodic ataxia type-2. J Neurosci. 2010 May 26;30(21):7249-57. doi: 10.1523/JNEUROSCI.6341-09.2010.@@Syme CA, Gerlach AC, Singh AK, Devor DC: Pharmacological activation of cloned intermediate- and small-conductance Ca(2+)-activated K(+) channels. Am J Physiol Cell Physiol. 2000 Mar;278(3):C570-81."	Approved	Benzoxazolones	Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Oxazol, Thiazine, and Triazine Derivatives; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Musculo-Skeletal System; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation; Benzoxazoles and derivatives"	ClC1=CC2=C(OC(=O)N2)C=C1					5883	46507755	D00771	PA448971		DAP000952	Chlorzoxazone	CHEMBL1371	2410
DB00357	Aminoglutethimide	BE0003537	CYP11A1	P05108	CP11A_HUMAN	inhibitor	16817851; 11161433; 11752352	"Slominski A, Semak I, Wortsman J, Zjawiony J, Li W, Zbytek B, Tuckey RC: An alternative pathway of vitamin D metabolism. Cytochrome P450scc (CYP11A1)-mediated conversion to 20-hydroxyvitamin D2 and 17,20-dihydroxyvitamin D2. FEBS J. 2006 Jul;273(13):2891-901.@@Oka H, Emori Y, Hayashi Y, Nomoto K: Breakdown of Th cell immune responses and steroidogenic CYP11A1 expression in CD4+ T cells in a murine model implanted with B16 melanoma. Cell Immunol. 2000 Nov 25;206(1):7-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	"Enzyme Inhibitors; Hormone Antagonists; Cytochrome P-450 Enzyme Inducers; Piperidones; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Estrogen Antagonists; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Aromatase Inhibitors; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1					1927	46506066	D00574	PA448375		DAP000842	Aminoglutethimide	CHEMBL488	677
DB00357	Aminoglutethimide	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	17139284; 17016423; 16332571; 16244789; 16474421; 17602675; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Greco F, Vicent MJ, Penning NA, Nicholson RI, Duncan R: HPMA copolymer-aminoglutethimide conjugates inhibit aromatase in MCF-7 cell lines. J Drug Target. 2005 Sep-Nov;13(8-9):459-70.@@Martinez-Campa C, Gonzalez A, Mediavilla MD, Alonso-Gonzalez C, Sanchez-Barcelo EJ, Cos S: Melatonin enhances the inhibitory effect of aminoglutethimide on aromatase activity in MCF-7 human breast cancer cells. Breast Cancer Res Treat. 2005 Dec;94(3):249-54. Epub 2005 Oct 22.@@Shirakawa H, Katsuki H, Kume T, Kaneko S, Akaike A: Aminoglutethimide prevents excitotoxic and ischemic injuries in cortical neurons. Br J Pharmacol. 2006 Apr;147(7):729-36.@@Siraki AG, Bonini MG, Jiang J, Ehrenshaft M, Mason RP: Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45. Epub 2007 Jun 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	"Enzyme Inhibitors; Hormone Antagonists; Cytochrome P-450 Enzyme Inducers; Piperidones; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Estrogen Antagonists; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Aromatase Inhibitors; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1					1927	46506066	D00574	PA448375		DAP000842	Aminoglutethimide	CHEMBL488	677
DB00360	Sapropterin	BE0000263	NOS3	P29474	NOS3_HUMAN	cofactor	10075731; 10749876; 10924132; 10995244; 11009561; 12003347	"Heller R, Munscher-Paulig F, Grabner R, Till U: L-Ascorbic acid potentiates nitric oxide synthesis in endothelial cells. J Biol Chem. 1999 Mar 19;274(12):8254-60.@@Huang A, Vita JA, Venema RC, Keaney JF Jr: Ascorbic acid enhances endothelial nitric-oxide synthase activity by increasing intracellular tetrahydrobiopterin. J Biol Chem. 2000 Jun 9;275(23):17399-406.@@Berka V, Tsai AL: Characterization of interactions among the heme center, tetrahydrobiopterin, and L-arginine binding sites of ferric eNOS using imidazole, cyanide, and nitric oxide as probes. Biochemistry. 2000 Aug 8;39(31):9373-83.@@Gorren AC, Bec N, Schrammel A, Werner ER, Lange R, Mayer B: Low-temperature optical absorption spectra suggest a redox role for tetrahydrobiopterin in both steps of nitric oxide synthase catalysis. Biochemistry. 2000 Sep 26;39(38):11763-70.@@Shinozaki K, Nishio Y, Okamura T, Yoshida Y, Maegawa H, Kojima H, Masada M, Toda N, Kikkawa R, Kashiwagi A: Oral administration of tetrahydrobiopterin prevents endothelial dysfunction and vascular oxidative stress in the aortas of insulin-resistant rats. Circ Res. 2000 Sep 29;87(7):566-73.@@Gorren AC, Mayer B: Tetrahydrobiopterin in nitric oxide synthesis: a novel biological role for pteridines. Curr Drug Metab. 2002 Apr;3(2):133-57."	Approved; Investigational	Biopterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives	"Supplements; Amines; Enzymes and Coenzymes; Phenylalanine Hydroxylase Activator; Dietary Supplements; BCRP/ABCG2 Inhibitors; Pterins; Nitric Oxide Synthase; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Phenylalanine Hydroxylase Activators; Heterocyclic Compounds, Fused-Ring; Coenzymes; Phenethylamines; Various Alimentary Tract and Metabolism Products; Pteridines; Ethylamines; Other Miscellaneous Therapeutic Agents"	[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperornithinemia with Gyrate Atrophy (HOGA); Sepiapterin Reductase Deficiency; DOPA-Responsive Dystonia; Alkaptonuria; Tyrosine Metabolism; Pterine Biosynthesis; Disulfiram Action Pathway; Hyperprolinemia Type II; Hyperphenylalaninemia Due to DHPR-Deficiency; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; L-Arginine:Glycine Amidinotransferase Deficiency; Tyrosinemia Type I; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Tryptophan Metabolism; Doxorubicin Metabolism Pathway; Segawa Syndrome; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); Hyperprolinemia Type I; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Prolinemia Type II"	signaling; drug_action; metabolic; drug_metabolism; disease		20591	46508597	D08505	PA161990676		DNC000425	Tetrahydrobiopterin	CHEMBL1201774	753340
DB00361	Vinorelbine	BE0000143	TUBB	P07437	TBB5_HUMAN	antagonist	17139284; 17016423; 9515574; 7740336; 20403547	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kruczynski A, Barret JM, Etievant C, Colpaert F, Fahy J, Hill BT: Antimitotic and tubulin-interacting properties of vinflunine, a novel fluorinated Vinca alkaloid. Biochem Pharmacol. 1998 Mar 1;55(5):635-48.@@Chang AY, Garrow GC: Pilot study of vinorelbine (Navelbine) and paclitaxel (Taxol) in patients with refractory breast cancer and lung cancer. Semin Oncol. 1995 Apr;22(2 Suppl 5):66-70; discussion 70-1.@@Seve P, Dumontet C: [Class III beta tubulin expression in nonsmall cell lung cancer]. Rev Mal Respir. 2010 Apr;27(4):383-6. doi: 10.1016/j.rmr.2010.03.006. Epub 2010 Mar 25."	Approved; Investigational	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"Tubulin Modulators; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Indoles; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Antineoplastic Agents; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Antineoplastic Agents, Phytogenic; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Indolizines"	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC		Vinorelbine Action Pathway	drug_action		11350	46507772	D08680	PA451881		DAP000765	Vinorelbine	CHEMBL553025	39541
DB00363	Clozapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12769622; 14575800; 15286066; 15781964; 16040180; 11752352	"Green AI, Salomon MS, Brenner MJ, Rawlins K: Treatment of schizophrenia and comorbid substance use disorder. Curr Drug Targets CNS Neurol Disord. 2002 Apr;1(2):129-39.@@Weizman T, Pick CG, Backer MM, Rigai T, Bloch M, Schreiber S: The antinociceptive effect of amisulpride in mice is mediated through opioid mechanisms. Eur J Pharmacol. 2003 Oct 8;478(2-3):155-9.@@Young RM, Lawford BR, Barnes M, Burton SC, Ritchie T, Ward WK, Noble EP: Prolactin levels in antipsychotic treatment of patients with schizophrenia carrying the DRD2*A1 allele. Br J Psychiatry. 2004 Aug;185:147-51.@@Stonehouse AH, Jones FS: Bromocriptine and clozapine regulate dopamine 2 receptor gene expression in the mouse striatum. J Mol Neurosci. 2005;25(1):29-36.@@Takano A, Suhara T, Kusumi I, Takahashi Y, Asai Y, Yasuno F, Ichimiya T, Inoue M, Sudo Y, Koyama T: Time course of dopamine D2 receptor occupancy by clozapine with medium and high plasma concentrations. Prog Neuropsychopharmacol Biol Psychiatry. 2006 Jan;30(1):75-81. Epub 2005 Jul 22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000476	HTR1E	P28566	5HT1E_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	15917433; 16182256	"Sodhi MS, Airey DC, Lambert W, Burnet PW, Harrison PJ, Sanders-Bush E: A rapid new assay to detect RNA editing reveals antipsychotic-induced changes in serotonin-2C transcripts. Mol Pharmacol. 2005 Sep;68(3):711-9. Epub 2005 May 25.@@Navailles S, De Deurwaerdere P, Spampinato U: Clozapine and haloperidol differentially alter the constitutive activity of central serotonin2C receptors in vivo. Biol Psychiatry. 2006 Mar 15;59(6):568-75. Epub 2005 Sep 22."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 17382376; 7520908	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Roegge CS, Perraut C, Hao X, Levin ED: Histamine H1 receptor involvement in prepulse inhibition and memory function: relevance for the antipsychotic actions of clozapine. Pharmacol Biochem Behav. 2007 Apr;86(4):686-92. Epub 2007 Feb 22.@@Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	antagonist	11752352; 17346280; 16854056; 16860312	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sugata Y, Okano M, Fujiwara T, Matsumoto R, Hattori H, Yamamoto M, Nishibori M, Nishizaki K: Histamine H4 receptor agonists have more activities than H4 agonism in antigen-specific human T-cell responses. Immunology. 2007 Jun;121(2):266-75. Epub 2007 Mar 7.@@Smits RA, Lim HD, Stegink B, Bakker RA, de Esch IJ, Leurs R: Characterization of the histamine H4 receptor binding site. Part 1. Synthesis and pharmacological evaluation of dibenzodiazepine derivatives. J Med Chem. 2006 Jul 27;49(15):4512-6.@@Adachi N, Liu K, Motoki A, Nishibori M, Arai T: Suppression of ischemia/reperfusion liver injury by histamine H4 receptor stimulation in rats. Eur J Pharmacol. 2006 Aug 21;544(1-3):181-7. Epub 2006 Jun 29."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000560	CHRM2	P08172	ACM2_HUMAN	partial agonist	17848919; 33647377	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17848919; 33647377	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	17848919; 33647377	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Foster DJ, Bryant ZK, Conn PJ: Targeting muscarinic receptors to treat schizophrenia. Behav Brain Res. 2021 May 7;405:113201. doi: 10.1016/j.bbr.2021.113201. Epub 2021 Feb 26."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	positive modulator	32203158	"Nair PC, McKinnon RA, Miners JO, Bastiampillai T: Binding of clozapine to the GABA(B) receptor: clinical and structural insights. Mol Psychiatry. 2020 Sep;25(9):1910-1919. doi: 10.1038/s41380-020-0709-5. Epub 2020 Mar 13."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0002340	GABBR2	O75899	GABR2_HUMAN	positive modulator	32203158	"Nair PC, McKinnon RA, Miners JO, Bastiampillai T: Binding of clozapine to the GABA(B) receptor: clinical and structural insights. Mol Psychiatry. 2020 Sep;25(9):1910-1919. doi: 10.1038/s41380-020-0709-5. Epub 2020 Mar 13."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0002344	GABRB1	P18505	GBRB1_HUMAN	antagonist	8532064; 9016840	"Korpi ER, Wong G, Luddens H: Subtype specificity of gamma-aminobutyric acid type A receptor antagonism by clozapine. Naunyn Schmiedebergs Arch Pharmacol. 1995 Oct;352(4):365-73. doi: 10.1007/BF00172773.@@Squires RF, Saederup E: Clozapine and some other antipsychotic drugs may preferentially block the same subset of GABA(A) receptors. Neurochem Res. 1997 Feb;22(2):151-62. doi: 10.1023/a:1027359422433."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00363	Clozapine	BE0003593	GABRG1	Q8N1C3	GBRG1_HUMAN	antagonist	8532064; 9016840	"Korpi ER, Wong G, Luddens H: Subtype specificity of gamma-aminobutyric acid type A receptor antagonism by clozapine. Naunyn Schmiedebergs Arch Pharmacol. 1995 Oct;352(4):365-73. doi: 10.1007/BF00172773.@@Squires RF, Saederup E: Clozapine and some other antipsychotic drugs may preferentially block the same subset of GABA(A) receptors. Neurochem Res. 1997 Feb;22(2):151-62. doi: 10.1023/a:1027359422433."	Approved	Dibenzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines; Dibenzodiazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; OCT1 substrates; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; GABA Antagonists; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12					1196	46506474	D00283	PA449061		DAP000029	Clozapine	CHEMBL42	2626
DB00364	Sucralfate	BE0001015	FGF2	P09038	FGF2_HUMAN	agonist	1957124; 8578218; 8578198; 7948825	"Szabo S: The mode of action of sucralfate: the 1 x 1 x 1 mechanism of action. Scand J Gastroenterol Suppl. 1991;185:7-12.@@Tarnawski A, Tanoue K, Santos AM, Sarfeh IJ: Cellular and molecular mechanisms of gastric ulcer healing. Is the quality of mucosal scar affected by treatment? Scand J Gastroenterol Suppl. 1995;210:9-14.@@Szabo S, Kusstatscher S, Sakoulas G, Sandor Z, Vincze A, Jadus M: Growth factors: new 'endogenous drugs' for ulcer healing. Scand J Gastroenterol Suppl. 1995;210:15-8.@@Korman MG, Bolin TD, Szabo S, Hunt RH, Marks IN, Glise H: Sucralfate: the Bangkok review. J Gastroenterol Hepatol. 1994 Jul-Aug;9(4):412-5."	Approved			Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Organometallic Compounds; Thioglycosides; Aluminum Complex; Glycosides; Protectants; Metal divalent cations; Carbohydrates; Drugs for Acid Related Disorders; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Gastric Cytoprotectants; Gastrointestinal Agents; Metal cations; Aluminium Compounds; Alimentary Tract and Metabolism	O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O					2023	46508862		PA451524			Sucralfate	CHEMBL2029132	10156
DB00364	Sucralfate	BE0000953	EGF	P01133	EGF_HUMAN	inducer	8578218; 1957124; 1970337	"Tarnawski A, Tanoue K, Santos AM, Sarfeh IJ: Cellular and molecular mechanisms of gastric ulcer healing. Is the quality of mucosal scar affected by treatment? Scand J Gastroenterol Suppl. 1995;210:9-14.@@Szabo S: The mode of action of sucralfate: the 1 x 1 x 1 mechanism of action. Scand J Gastroenterol Suppl. 1991;185:7-12.@@Konturek SJ: Role of growth factors in gastroduodenal protection and healing of peptic ulcers. Gastroenterol Clin North Am. 1990 Mar;19(1):41-65."	Approved			Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Organometallic Compounds; Thioglycosides; Aluminum Complex; Glycosides; Protectants; Metal divalent cations; Carbohydrates; Drugs for Acid Related Disorders; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Gastric Cytoprotectants; Gastrointestinal Agents; Metal cations; Aluminium Compounds; Alimentary Tract and Metabolism	O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O					2023	46508862		PA451524			Sucralfate	CHEMBL2029132	10156
DB00366	Doxylamine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Agents producing tachycardia; Gastrointestinal Agents; Autonomic Agents; Pyridines; Central Nervous System Depressants; Histamine Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Histamine Agents	CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1		Doxylamine H1-Antihistamine Action	drug_action		10224	46506354	D02327	PA449419		DAP000859	Doxylamine	CHEMBL1004	3642
DB00366	Doxylamine	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	21686586	"Syed H, Som S, Khan N, Faltas W: Doxylamine toxicity: seizure, rhabdomyolysis and false positive urine drug screen for methadone. BMJ Case Rep. 2009;2009. pii: bcr09.2008.0879. doi: 10.1136/bcr.09.2008.0879. Epub 2009 Mar 17."	Approved; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	QTc Prolonging Agents; Aminoalkyl Ethers; Histamine H1 Antagonists; Agents producing tachycardia; Gastrointestinal Agents; Autonomic Agents; Pyridines; Central Nervous System Depressants; Histamine Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Peripheral Nervous System Agents; Histamine Receptor Antagonists; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Histamine Agents	CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1		Doxylamine H1-Antihistamine Action	drug_action		10224	46506354	D02327	PA449419		DAP000859	Doxylamine	CHEMBL1004	3642
DB00367	Levonorgestrel	BE0000557	PGR	P06401	PRGR_HUMAN	modulator	17531625; 17484506; 17077229; 16157482	"Maruo T, Ohara N, Matsuo H, Xu Q, Chen W, Sitruk-Ware R, Johansson ED: Effects of levonorgestrel-releasing IUS and progesterone receptor modulator PRM CDB-2914 on uterine leiomyomas. Contraception. 2007 Jun;75(6 Suppl):S99-103. Epub 2007 Mar 21.@@Hompes PG, Mijatovic V: Endometriosis: the way forward. Gynecol Endocrinol. 2007 Jan;23(1):5-12.@@Creinin MD, Schlaff W, Archer DF, Wan L, Frezieres R, Thomas M, Rosenberg M, Higgins J: Progesterone receptor modulator for emergency contraception: a randomized controlled trial. Obstet Gynecol. 2006 Nov;108(5):1089-97.@@Bray JD, Jelinsky S, Ghatge R, Bray JA, Tunkey C, Saraf K, Jacobsen BM, Richer JK, Brown EL, Winneker RC, Horwitz KB, Lyttle CR: Quantitative analysis of gene regulation by seven clinically relevant progestins suggests a highly similar mechanism of action through progesterone receptors in T47D breast cancer cells. J Steroid Biochem Mol Biol. 2005 Dec;97(4):328-41. Epub 2005 Sep 12."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7490	46508082	D00950	PA450218		DAP001207	Levonorgestrel	CHEMBL1389	6373
DB00367	Levonorgestrel	BE0000539	SRD5A1	P18405	S5A1_HUMAN	inhibitor	11075290; 1828548	"Rabe T, Kowald A, Ortmann J, Rehberger-Schneider S: Inhibition of skin 5 alpha-reductase by oral contraceptive progestins in vitro. Gynecol Endocrinol. 2000 Aug;14(4):223-30.@@Cassidenti DL, Paulson RJ, Serafini P, Stanczyk FZ, Lobo RA: Effects of sex steroids on skin 5 alpha-reductase activity in vitro. Obstet Gynecol. 1991 Jul;78(1):103-7."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7490	46508082	D00950	PA450218		DAP001207	Levonorgestrel	CHEMBL1389	6373
DB00367	Levonorgestrel	BE0000123	ESR1	P03372	ESR1_HUMAN	other/unknown	16325240; 16609013; 21791876; 12589940; 1562565	"Vereide AB, Kaino T, Sager G, Arnes M, Orbo A: Effect of levonorgestrel IUD and oral medroxyprogesterone acetate on glandular and stromal progesterone receptors (PRA and PRB), and estrogen receptors (ER-alpha and ER-beta) in human endometrial hyperplasia. Gynecol Oncol. 2006 May;101(2):214-23. Epub 2005 Dec 1.@@Vijayanathan V, Venkiteswaran S, Nair SK, Verma A, Thomas TJ, Zhu BT, Thomas T: Physiologic levels of 2-methoxyestradiol interfere with nongenomic signaling of 17beta-estradiol in human breast cancer cells. Clin Cancer Res. 2006 Apr 1;12(7 Pt 1):2038-48.@@Lv XH, Shi DZ: Effects of levonorgestrel on reproductive hormone levels and their receptor expression in Mongolian gerbils (Meriones unguiculatus). Exp Anim. 2011;60(4):363-71. doi: 10.1538/expanim.60.363.@@Garcia-Becerra R, Borja-Cacho E, Cooney AJ, Jackson KJ, Lemus AE, Perez-Palacios G, Larrea F: The intrinsic transcriptional estrogenic activity of a non-phenolic derivative of levonorgestrel is mediated via the estrogen receptor-alpha. J Steroid Biochem Mol Biol. 2002 Nov;82(4-5):333-41.@@Lemus AE, Vilchis F, Damsky R, Chavez BA, Garcia GA, Grillasca I, Perez-Palacios G: Mechanism of action of levonorgestrel: in vitro metabolism and specific interactions with steroid receptors in target organs. J Steroid Biochem Mol Biol. 1992 Mar;41(3-8):881-90."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7490	46508082	D00950	PA450218		DAP001207	Levonorgestrel	CHEMBL1389	6373
DB00367	Levonorgestrel	BE0000794	NR3C1	P04150	GCR_HUMAN	binder	2175153	"Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Inhibit Ovum Fertilization; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7490	46508082	D00950	PA450218		DAP001207	Levonorgestrel	CHEMBL1389	6373
DB00368	Norepinephrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17139284; 17016423; 9138687; 8825367; 17266602	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lachnit WG, Tran AM, Clarke DE, Ford AP: Pharmacological characterization of an alpha 1A-adrenoceptor mediating contractile responses to noradrenaline in isolated caudal artery of rat. Br J Pharmacol. 1997 Mar;120(5):819-26.@@Burt RP, Chapple CR, Marshall I: The role of diacylglycerol and activation of protein kinase C in alpha 1A-adrenoceptor-mediated contraction to noradrenaline of rat isolated epididymal vas deferens. Br J Pharmacol. 1996 Jan;117(1):224-30.@@Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45."	Approved	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors"	NC[C@H](O)C1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway"	disease; drug_action		7395	46506201	D00076	PA450649		DNC001034	Norepinephrine	CHEMBL1437	7512
DB00368	Norepinephrine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	17139284; 17016423; 8294418; 7773533; 8166240; 17266602; 18064417	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Izzo NJ Jr, Tulenko TN, Colucci WS: Phorbol esters and norepinephrine destabilize alpha 1B-adrenergic receptor mRNA in vascular smooth muscle cells. J Biol Chem. 1994 Jan 21;269(3):1705-10.@@Testa R, Guarneri L, Poggesi E, Simonazzi I, Taddei C, Leonardi A: Mediation of noradrenaline-induced contractions of rat aorta by the alpha 1B-adrenoceptor subtype. Br J Pharmacol. 1995 Feb;114(4):745-50.@@Izzo NJ Jr, Colucci WS: Regulation of alpha 1B-adrenergic receptor half-life: protein synthesis dependence and effect of norepinephrine. Am J Physiol. 1994 Mar;266(3 Pt 1):C771-5.@@Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45.@@Gilsbach R, Hein L: Presynaptic metabotropic receptors for acetylcholine and adrenaline/noradrenaline. Handb Exp Pharmacol. 2008;(184):261-88."	Approved	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors"	NC[C@H](O)C1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway"	disease; drug_action		7395	46506201	D00076	PA450649		DNC001034	Norepinephrine	CHEMBL1437	7512
DB00368	Norepinephrine	BE0004674	SLC18A1	P54219	VMAT1_HUMAN	binder	8643547	"Erickson JD, Schafer MK, Bonner TI, Eiden LE, Weihe E: Distinct pharmacological properties and distribution in neurons and endocrine cells of two isoforms of the human vesicular monoamine transporter. Proc Natl Acad Sci U S A. 1996 May 14;93(10):5166-71."	Approved	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Norepinephrine, antagonists & inhibitors"	NC[C@H](O)C1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Fluoxetine Action Pathway; Morphine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Dimethylthiambutene Action Pathway; Fentanyl Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Levallorphan Action Pathway"	disease; drug_action		7395	46506201	D00076	PA450649		DNC001034	Norepinephrine	CHEMBL1437	7512
DB00370	Mirtazapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	14615872; 10762339; 9832994; 16433010; 11271412	"Benelli A, Frigeri C, Bertolini A, Genedani S: Influence of mirtazapine on the sexual behavior of male rats. Psychopharmacology (Berl). 2004 Jan;171(3):250-8. Epub 2003 Nov 13.@@Millan MJ, Gobert A, Rivet JM, Adhumeau-Auclair A, Cussac D, Newman-Tancredi A, Dekeyne A, Nicolas JP, Lejeune F: Mirtazapine enhances frontocortical dopaminergic and corticolimbic adrenergic, but not serotonergic, transmission by blockade of alpha2-adrenergic and serotonin2C receptors: a comparison with citalopram. Eur J Neurosci. 2000 Mar;12(3):1079-95.@@Meert TF, Melis W, Aerts N, Clincke G: Antagonism of meta-chlorophenylpiperazine-induced inhibition of exploratory activity in an emergence procedure, the open field test, in rats. Behav Pharmacol. 1997 Aug;8(4):353-63.@@Millan MJ: Serotonin 5-HT2C receptors as a target for the treatment of depressive and anxious states: focus on novel therapeutic strategies. Therapie. 2005 Sep-Oct;60(5):441-60.@@Dekeyne A, Iob L, Millan MJ: Following long-term training with citalopram, both mirtazapine and mianserin block its discriminative stimulus properties in rats. Psychopharmacology (Berl). 2001 Jan;153(3):389-92."	Approved	Piperazinoazepines	Organic compounds; Organoheterocyclic compounds; Piperazinoazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1		Mirtazapine H1-Antihistamine Action	drug_action		12209	46506965	D00563	PA450522		DAP000010	Mirtazapine	CHEMBL654	15996
DB00370	Mirtazapine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	12372565; 22708686; 30155392	"Schreiber S, Rigai T, Katz Y, Pick CG: The antinociceptive effect of mirtazapine in mice is mediated through serotonergic, noradrenergic and opioid mechanisms. Brain Res Bull. 2002 Sep 30;58(6):601-5.@@Olianas MC, Dedoni S, Onali P: The atypical antidepressant mianserin exhibits agonist activity at kappa-opioid receptors. Br J Pharmacol. 2012 Nov;167(6):1329-41. doi: 10.1111/j.1476-5381.2012.02078.x.@@Peckham AM, De La Cruz A, Dufresne RL: Kappa opioid receptor antagonism: Are opioids the answer for treatment resistant depression? Ment Health Clin. 2018 Jun 29;8(4):175-183. doi: 10.9740/mhc.2018.07.175. eCollection 2018 Jul."	Approved	Piperazinoazepines	Organic compounds; Organoheterocyclic compounds; Piperazinoazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1		Mirtazapine H1-Antihistamine Action	drug_action		12209	46506965	D00563	PA450522		DAP000010	Mirtazapine	CHEMBL654	15996
DB00370	Mirtazapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	23229983; 27593622; 23728612	"Vande Griend JP, Anderson SL: Histamine-1 receptor antagonism for treatment of insomnia. J Am Pharm Assoc (2003). 2012;52(6):e210-9. doi: 10.1331/JAPhA.2012.12051.@@Salvi V, Mencacci C, Barone-Adesi F: H1-histamine receptor affinity predicts weight gain with antidepressants. Eur Neuropsychopharmacol. 2016 Oct;26(10):1673-7. doi: 10.1016/j.euroneuro.2016.08.012. Epub 2016 Sep 1.@@Sato H, Ito C, Tashiro M, Hiraoka K, Shibuya K, Funaki Y, Iwata R, Matsuoka H, Yanai K: Histamine H(1) receptor occupancy by the new-generation antidepressants fluvoxamine and mirtazapine: a positron emission tomography study in healthy volunteers. Psychopharmacology (Berl). 2013 Nov;230(2):227-34. doi: 10.1007/s00213-013-3146-1. Epub 2013 Jun 1."	Approved	Piperazinoazepines	Organic compounds; Organoheterocyclic compounds; Piperazinoazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT3 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Miscellaneous Antidepressants; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1		Mirtazapine H1-Antihistamine Action	drug_action		12209	46506965	D00563	PA450522		DAP000010	Mirtazapine	CHEMBL654	15996
DB00371	Meprobamate	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Illicit	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics"	CCCC(C)(COC(N)=O)COC(N)=O		Capecitabine Metabolism Pathway; Capecitabine Action Pathway	drug_metabolism; drug_action		10233	46508142	D00376	PA450377		DAP001507	Meprobamate	CHEMBL979	6760
DB00371	Meprobamate	BE0000381	GABRA2	P47869	GBRA2_HUMAN	agonist	9067327; 19244096	"Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub  2009 Feb 24."	Approved; Illicit	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics"	CCCC(C)(COC(N)=O)COC(N)=O		Capecitabine Metabolism Pathway; Capecitabine Action Pathway	drug_metabolism; drug_action		10233	46508142	D00376	PA450377		DAP001507	Meprobamate	CHEMBL979	6760
DB00371	Meprobamate	BE0000523	GABRA3	P34903	GBRA3_HUMAN	agonist	9067327; 19244096	"Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub  2009 Feb 24."	Approved; Illicit	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics"	CCCC(C)(COC(N)=O)COC(N)=O		Capecitabine Metabolism Pathway; Capecitabine Action Pathway	drug_metabolism; drug_action		10233	46508142	D00376	PA450377		DAP001507	Meprobamate	CHEMBL979	6760
DB00371	Meprobamate	BE0000471	GABRA5	P31644	GBRA5_HUMAN	agonist	9067327; 19244096	"Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub  2009 Feb 24."	Approved; Illicit	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics"	CCCC(C)(COC(N)=O)COC(N)=O		Capecitabine Metabolism Pathway; Capecitabine Action Pathway	drug_metabolism; drug_action		10233	46508142	D00376	PA450377		DAP001507	Meprobamate	CHEMBL979	6760
DB00371	Meprobamate	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	agonist	9067327; 19244096	"Rho JM, Donevan SD, Rogawski MA: Barbiturate-like actions of the propanediol dicarbamates felbamate and meprobamate. J Pharmacol Exp Ther. 1997 Mar;280(3):1383-91.@@Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub  2009 Feb 24."	Approved; Illicit	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Muscle Relaxants; Tranquilizing Agents; Carbamates; Nervous System; Acids, Acyclic; Peripheral Nervous System Agents; Psycholeptics"	CCCC(C)(COC(N)=O)COC(N)=O		Capecitabine Metabolism Pathway; Capecitabine Action Pathway	drug_metabolism; drug_action		10233	46508142	D00376	PA450377		DAP001507	Meprobamate	CHEMBL979	6760
DB00372	Thiethylperazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17139284; 17016423; 15469457	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Briani C, Cagnin A, Chierichetti F, Tiberio M, Battistin L, Pizzolato G: Thiethylperazine-induced parkinsonism: in vivo demonstration of dopamine D2 receptors blockade. Eur J Neurol. 2004 Oct;11(10):709-10."	Approved; Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Phenothiazine Derivatives; Piperazines; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Neurotoxic agents; Central Nervous System Agents; Neurotransmitter Agents; Antiemetics; Antihistamines for Systemic Use; Sulfur Compounds; Dopamine Agents"	CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1						46506502	D02354	PA164748882		DAP000315	Thiethylperazine	CHEMBL1378	10471
DB00374	Treprostinil	BE0001007	PPARD	Q03181	PPARD_HUMAN	agonist	16239641	"Ali FY, Egan K, FitzGerald GA, Desvergne B, Wahli W, Bishop-Bailey D, Warner TD, Mitchell JA: Role of prostacyclin versus peroxisome proliferator-activated receptor beta receptors in prostacyclin sensing by lung fibroblasts. Am J Respir Cell Mol Biol. 2006 Feb;34(2):242-6. Epub 2005 Oct 20."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Inflammation Mediators; QTc Prolonging Agents; Vasodilation; Antihypertensive Agents; Eicosanoids; Prostacycline Vasodilator; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Prostacyclin Analogues; Potential QTc-Prolonging Agents; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Cytochrome P-450 CYP2C9 Substrates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1					12594	46504572		PA164768801		DAP001214	Treprostinil	CHEMBL1237119	343048
DB00374	Treprostinil	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	agonist	30485728	"Bacha NC, Levy M, Guerin CL, Le Bonniec B, Harroche A, Szezepanski I, Renard JM, Gaussem P, Israel-Biet D, Boulanger CM, Smadja DM: Treprostinil treatment decreases circulating platelet microvesicles and their procoagulant activity in pediatric pulmonary hypertension. Pediatr Pulmonol. 2019 Jan;54(1):66-72. doi: 10.1002/ppul.24190. Epub 2018 Nov 28."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Inflammation Mediators; QTc Prolonging Agents; Vasodilation; Antihypertensive Agents; Eicosanoids; Prostacycline Vasodilator; Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Prostacyclin Analogues; Potential QTc-Prolonging Agents; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Cytochrome P-450 CYP2C9 Substrates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1					12594	46504572		PA164768801		DAP001214	Treprostinil	CHEMBL1237119	343048
DB00376	Trihexyphenidyl	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	1635586; 1994002; 3208836	"Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33.@@Freedman SB, Beer MS, Harley EA: Muscarinic M1, M2 receptor binding. Relationship with functional efficacy. Eur J Pharmacol. 1988 Oct 26;156(1):133-42."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents	OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1					9845	46507717	D08638	PA164747026		DAP001532	Trihexyphenidyl	CHEMBL1490	10811
DB00376	Trihexyphenidyl	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	1635586; 1994002; 3208836	"Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33.@@Freedman SB, Beer MS, Harley EA: Muscarinic M1, M2 receptor binding. Relationship with functional efficacy. Eur J Pharmacol. 1988 Oct 26;156(1):133-42."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents	OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1					9845	46507717	D08638	PA164747026		DAP001532	Trihexyphenidyl	CHEMBL1490	10811
DB00376	Trihexyphenidyl	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	1635586; 1994002	"Bognar IT, Altes U, Beinhauer C, Kessler I, Fuder H: A muscarinic receptor different from the M1, M2, M3 and M4 subtypes mediates the contraction of the rabbit iris sphincter. Naunyn Schmiedebergs Arch Pharmacol. 1992 Jun;345(6):611-8.@@Dorje F, Wess J, Lambrecht G, Tacke R, Mutschler E, Brann MR: Antagonist binding profiles of five cloned human muscarinic receptor subtypes. J Pharmacol Exp Ther. 1991 Feb;256(2):727-33."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Anticholinergic Agents; Muscarinic Antagonists; Piperidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents	OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1					9845	46507717	D08638	PA164747026		DAP001532	Trihexyphenidyl	CHEMBL1490	10811
DB00378	Dydrogesterone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	15128769; 6827166; 16045524; 8486204; 436795; 11752352	"Blois SM, Joachim R, Kandil J, Margni R, Tometten M, Klapp BF, Arck PC: Depletion of CD8+ cells abolishes the pregnancy protective effect of progesterone substitution with dydrogesterone in mice by altering the Th1/Th2 cytokine profile. J Immunol. 2004 May 15;172(10):5893-9.@@Tamaya T, Tsurusaki T, Ide N, Yamada T, Murakami T, Wada K, Fujimoto Z, Okada H: Nuclear translocation of progesterone receptor--progestogen complex in vitro. Nihon Sanka Fujinka Gakkai Zasshi. 1983 Jan;35(1):77-82.@@Raghupathy R, Al Mutawa E, Makhseed M, Azizieh F, Szekeres-Bartho J: Modulation of cytokine production by dydrogesterone in lymphocytes from women with recurrent miscarriage. BJOG. 2005 Aug;112(8):1096-101.@@Okada H: [Metabolism, structure and biological activity of sex steroids]. Nihon Naibunpi Gakkai Zasshi. 1993 Feb 20;69(2):67-79.@@Tamaya T, Furuta N, Ohono Y, Ide N, Tsurusaki T, Okada H: Chromatin transcription by progesterone-receptor complex in rabbit uterus. Endocrinol Jpn. 1979 Feb;26(1):117-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnadien Derivatives; Cytochrome P-450 CYP3A Substrates; Progestogens and Estrogens, Sequential Preparations; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Progestins; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C						46506195	D01217	PA164745443		DAP001205	Dydrogesterone	CHEMBL1200853	3706
DB00379	Mexiletine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	12123767; 12604879; 12650887; 12676070; 16168489; 11196553; 11752352	"Valdivia CR, Ackerman MJ, Tester DJ, Wada T, McCormack J, Ye B, Makielski JC: A novel SCN5A arrhythmia mutation, M1766L, with expression defect rescued by mexiletine. Cardiovasc Res. 2002 Aug 1;55(2):279-89.@@Chinushi M, Tagawa M, Sugiura H, Komura S, Hosaka Y, Washizuka T, Aizawa Y: Ventricular tachyarrhythmias in a canine model of LQT3: arrhythmogenic effects of sympathetic activity and therapeutic effects of mexiletine. Circ J. 2003 Mar;67(3):263-8.@@Fabritz L, Kirchhof P, Franz MR, Nuyens D, Rossenbacker T, Ottenhof A, Haverkamp W, Breithardt G, Carmeliet E, Carmeliet P: Effect of pacing and mexiletine on dispersion of repolarisation and arrhythmias in DeltaKPQ SCN5A (long QT3) mice. Cardiovasc Res. 2003 Mar 15;57(4):1085-93.@@Wang HW, Zheng YQ, Yang ZF, Li CZ, Liu YM: Effect of mexiletine on long QT syndrome model. Acta Pharmacol Sin. 2003 Apr;24(4):316-20.@@Napolitano C, Bloise R, Priori SG: Gene-specific therapy for inherited arrhythmogenic diseases. Pharmacol Ther. 2006 Apr;110(1):1-13. Epub 2005 Sep 15.@@Shimizu W, Antzelevitch C, Suyama K, Kurita T, Taguchi A, Aihara N, Takaki H, Sunagawa K, Kamakura S: Effect of sodium channel blockers on ST segment, QRS duration, and corrected QT interval in patients with Brugada syndrome. J Cardiovasc Electrophysiol. 2000 Dec;11(12):1320-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Sodium Channel Blockers; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Phenyl Ethers; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates; Propylamines"	CC(N)COC1=C(C)C=CC=C1C		Mexiletine Action Pathway	drug_action		1901	46505491		PA450488		DAP000505	Mexiletine	CHEMBL558	6926
DB00379	Mexiletine	BE0003721	AHR	P35869	AHR_HUMAN	agonist	17327465	"Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Sodium Channel Blockers; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Phenyl Ethers; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Substrates; Propylamines"	CC(N)COC1=C(C)C=CC=C1C		Mexiletine Action Pathway	drug_action		1901	46505491		PA450488		DAP000505	Mexiletine	CHEMBL558	6926
DB00380	Dexrazoxane	BE0002425	TOP2B	Q02880	TOP2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Withdrawn	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Cardiovascular Agents; Immunosuppressive Agents; Myelosuppressive Agents; Topoisomerase II Inhibitors; Miscellaneous Therapeutic Agents; Piperazines; Enzyme Inhibitors; Diketopiperazines; Topoisomerase Inhibitors; Protective Agents; Cardiotonic Agents; Cytoprotective Agent; Detoxifying Agents for Antineoplastic Treatment; Drugs that are Mainly Renally Excreted; Compounds used in a research, industrial, or household setting"	C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1					215	46505982	D03730	PA449259		DAP000649	Dexrazoxane	CHEMBL1738	42736
DB00381	Amlodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	16322774; 27556947	"Bodi I, Mikala G, Koch SE, Akhter SA, Schwartz A: The L-type calcium channel in the heart: the beat goes on. J Clin Invest. 2005 Dec;115(12):3306-17. doi: 10.1172/JCI27167.@@Tang L, Gamal El-Din TM, Swanson TM, Pryde DC, Scheuer T, Zheng N, Catterall WA: Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature. 2016 Sep 1;537(7618):117-121. doi: 10.1038/nature19102. Epub 2016 Aug 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00381	Amlodipine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	21910984; 25966690; 10367100; 19823601	"Lin M, Aladejebi O, Hockerman GH: Distinct properties of amlodipine and nicardipine block of the voltage-dependent Ca2+ channels Cav1.2 and Cav2.1 and the mutant channels Cav1.2/dihydropyridine insensitive and Cav2.1/dihydropyridine sensitive. Eur J Pharmacol. 2011 Nov 16;670(1):105-13. doi: 10.1016/j.ejphar.2011.08.005. Epub 2011 Sep 2.@@Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22.@@Inoue Y, Hisatome I, Tsuboi M, Ahmmed GU, Yatsuhashi T, Uchida K, Yamanouchi Y, Santo Y, Miake J, Tanaka Y, Hamada T, Watanabe M, Igawa O, Yoshida A, Shigemasa C, Makita N, Sato R: Effects of amlodipine on native cardiac Na+ channels and cloned alpha-subunits of cardiac Na+ channels. Arzneimittelforschung. 1999 May;49(5):394-7. doi: 10.1055/s-0031-1300433.@@Ozawa Y, Hayashi K, Kobori H: New Generation Calcium Channel Blockers in Hypertensive Treatment. Curr Hypertens Rev. 2006 May 1;2(2):103-111. doi: 10.2174/157340206776877370."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00381	Amlodipine	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	9249249; 10525060; 20097194; 11426839; 19634509; 10374627	"Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00381	Amlodipine	BE0003563	CACNA2D3	Q8IZS8	CA2D3_HUMAN	inhibitor	9249249; 10525060; 20097194; 11426839; 19634509; 10374627	"Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00381	Amlodipine	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	11061585; 11101200; 11392054	"Puscas I, Gilau L, Coltau M, Pasca R, Domuta G, Baican M, Hecht A: Hypotensive effect of calcium channel blockers is parallel with carbonic anhydrase I inhibition. Clin Pharmacol Ther. 2000 Oct;68(4):443-9.@@Puscas L, Gilau L, Coltau M, Pasca R, Domuta G, Baican M, Hecht A: Calcium channel blockers reduce blood pressure in part by inhibiting vascular smooth muscle carbonic anhydrase I. Cardiovasc Drugs Ther. 2000 Oct;14(5):523-8.@@Puscas I, Coltau M, Baican M, Pasca R, Domuta G, Hecht A: Vasoconstrictive drugs increase carbonic anhydrase I in vascular smooth muscle while vasodilating drugs reduce the activity of this isozyme by a direct mechanism of action. Drugs Exp Clin Res. 2001;27(2):53-60."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00381	Amlodipine	BE0009351	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	20097194; 28611661; 9249249	"Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Godfraind T: Discovery and Development of Calcium Channel Blockers. Front Pharmacol. 2017 May 29;8:286. doi: 10.3389/fphar.2017.00286. eCollection 2017.@@Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00382	Tacrine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	10375753; 17218977; 12871155; 16860785	"Wang H, Tang XC: Anticholinesterase effects of huperzine A, E2020, and tacrine in rats. Zhongguo Yao Li Xue Bao. 1998 Jan;19(1):27-30.@@Krustev AD, Argirova MD, Getova DP, Turiiski VI, Prissadova NA: Calcium-independent tacrine-induced relaxation of rat gastric corpus smooth muscles. Can J Physiol Pharmacol. 2006 Nov;84(11):1133-8.@@Marco JL, Carreiras MC: Recent developments in the synthesis of acetylcholinesterase inhibitors. Mini Rev Med Chem. 2003 Sep;3(6):518-24.@@Ahmed M, Rocha JB, Correa M, Mazzanti CM, Zanin RF, Morsch AL, Morsch VM, Schetinger MR: Inhibition of two different cholinesterases by tacrine. Chem Biol Interact. 2006 Aug 25;162(2):165-71. Epub 2006 Jun 17."	Approved; Investigational; Withdrawn	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"Enzyme Inhibitors; Cholinergic Agents; Anti-Dementia Drugs; Autonomic Agents; Aminoacridines; Cytochrome P-450 Substrates; Psychoanaleptics; P-glycoprotein substrates; Parasympathomimetics; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Acridines; Peripheral Nervous System Agents; Nootropic Agents; Central Nervous System Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	NC1=C2CCCCC2=NC2=CC=CC=C12						46505487	D08555	PA451576		DAP000558	Tacrine	CHEMBL95	10318
DB00383	Oxyphencyclimine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 1426023; 3247303	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42.@@Schjelderup L, Kozlowski MR, Weissman A, Aasen AJ: Antimuscarinic effects of (R)- and (S)- oxyphencyclimine hydrochloride. Pharm Res. 1988 Apr;5(4):236-7."	Approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anticholinergic Agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Alimentary Tract and Metabolism"	CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1						46507487	D08325	PA164776910		DAP000835	Oxyphencyclimine	CHEMBL1495	32698
DB00383	Oxyphencyclimine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 1426023; 3247303	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42.@@Schjelderup L, Kozlowski MR, Weissman A, Aasen AJ: Antimuscarinic effects of (R)- and (S)- oxyphencyclimine hydrochloride. Pharm Res. 1988 Apr;5(4):236-7."	Approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anticholinergic Agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Alimentary Tract and Metabolism"	CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1						46507487	D08325	PA164776910		DAP000835	Oxyphencyclimine	CHEMBL1495	32698
DB00384	Triamterene	BE0000497	SCNN1G	P51170	SCNNG_HUMAN	inhibitor	17139284; 17016423; 12827214; 8772124; 11509829	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hiraoka Y, Taniguchi T, Tanaka T, Okada K, Kanamaru H, Muramatsu I: Pharmacological characterization of unique prazosin-binding sites in human kidney. Naunyn Schmiedebergs Arch Pharmacol. 2003 Jul;368(1):49-56. Epub 2003 Jun 25.@@Busch AE, Suessbrich H, Kunzelmann K, Hipper A, Greger R, Waldegger S, Mutschler E, Lindemann B, Lang F: Blockade of epithelial Na+ channels by triamterenes - underlying mechanisms and molecular basis. Pflugers Arch. 1996 Sep;432(5):760-6.@@Wagner CA, Ott M, Klingel K, Beck S, Melzig J, Friedrich B, Wild KN, Broer S, Moschen I, Albers A, Waldegger S, Tummler B, Egan ME, Geibel JP, Kandolf R, Lang F: Effects of the serine/threonine kinase SGK1 on the epithelial Na(+) channel (ENaC) and CFTR: implications for cystic fibrosis. Cell Physiol Biochem. 2001;11(4):209-18."	Approved	Pteridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives	"Sodium Channel Blockers; Nephrotoxic agents; Epithelial Sodium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Membrane Transport Modulators; Decreased Renal K+ Excretion; Heterocyclic Compounds, Fused-Ring; Potassium-Sparing Diuretics; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Pteridines; Increased Diuresis; Cytochrome P-450 CYP1A2 Substrates"	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1		Triamterene Action Pathway	drug_action		10190	46507623	D00386	PA451752		DAP000575	Triamterene	CHEMBL585	10763
DB00384	Triamterene	BE0000190	SCNN1A	P37088	SCNNA_HUMAN	inhibitor	17139284; 17016423; 8772124; 11509829; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Busch AE, Suessbrich H, Kunzelmann K, Hipper A, Greger R, Waldegger S, Mutschler E, Lindemann B, Lang F: Blockade of epithelial Na+ channels by triamterenes - underlying mechanisms and molecular basis. Pflugers Arch. 1996 Sep;432(5):760-6.@@Wagner CA, Ott M, Klingel K, Beck S, Melzig J, Friedrich B, Wild KN, Broer S, Moschen I, Albers A, Waldegger S, Tummler B, Egan ME, Geibel JP, Kandolf R, Lang F: Effects of the serine/threonine kinase SGK1 on the epithelial Na(+) channel (ENaC) and CFTR: implications for cystic fibrosis. Cell Physiol Biochem. 2001;11(4):209-18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pteridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives	"Sodium Channel Blockers; Nephrotoxic agents; Epithelial Sodium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Membrane Transport Modulators; Decreased Renal K+ Excretion; Heterocyclic Compounds, Fused-Ring; Potassium-Sparing Diuretics; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Pteridines; Increased Diuresis; Cytochrome P-450 CYP1A2 Substrates"	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1		Triamterene Action Pathway	drug_action		10190	46507623	D00386	PA451752		DAP000575	Triamterene	CHEMBL585	10763
DB00384	Triamterene	BE0000024	SCNN1B	P51168	SCNNB_HUMAN	inhibitor	17139284; 17016423; 8772124; 11509829	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Busch AE, Suessbrich H, Kunzelmann K, Hipper A, Greger R, Waldegger S, Mutschler E, Lindemann B, Lang F: Blockade of epithelial Na+ channels by triamterenes - underlying mechanisms and molecular basis. Pflugers Arch. 1996 Sep;432(5):760-6.@@Wagner CA, Ott M, Klingel K, Beck S, Melzig J, Friedrich B, Wild KN, Broer S, Moschen I, Albers A, Waldegger S, Tummler B, Egan ME, Geibel JP, Kandolf R, Lang F: Effects of the serine/threonine kinase SGK1 on the epithelial Na(+) channel (ENaC) and CFTR: implications for cystic fibrosis. Cell Physiol Biochem. 2001;11(4):209-18."	Approved	Pteridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives	"Sodium Channel Blockers; Nephrotoxic agents; Epithelial Sodium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Membrane Transport Modulators; Decreased Renal K+ Excretion; Heterocyclic Compounds, Fused-Ring; Potassium-Sparing Diuretics; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Pteridines; Increased Diuresis; Cytochrome P-450 CYP1A2 Substrates"	NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1		Triamterene Action Pathway	drug_action		10190	46507623	D00386	PA451752		DAP000575	Triamterene	CHEMBL585	10763
DB00387	Procyclidine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	20624420; 1426023	"Myhrer T: Identification of neuronal target areas for nerve agents and specification of receptors for pharmacological treatment. Neurotoxicology. 2010 Dec;31(6):629-38. doi: 10.1016/j.neuro.2010.07.002. Epub 2010 Jul 17.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Anticholinergic Agents; Muscarinic Antagonists; Pyrrolidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents	OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1					6030	46505553	D08425	PA164784001		DAP001110	Procyclidine	CHEMBL86715	8718
DB00387	Procyclidine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 2027917; 2253700; 20624420; 1426023	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Larson EW, Pfenning MA, Richelson E: Selectivity of antimuscarinic compounds for muscarinic receptors of human brain and heart. Psychopharmacology (Berl). 1991;103(2):162-5.@@Waelbroeck M, Camus J, Tastenoy M, Lambrecht G, Mutschler E, Tacke R, Christophe J: Stereoselectivity of procyclidine binding to muscarinic receptor subtypes M1, M2 and M4. Eur J Pharmacol. 1990 Sep 18;189(2-3):135-42.@@Myhrer T: Identification of neuronal target areas for nerve agents and specification of receptors for pharmacological treatment. Neurotoxicology. 2010 Dec;31(6):629-38. doi: 10.1016/j.neuro.2010.07.002. Epub 2010 Jul 17.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Schjelderup L, Aasen A, Lambrecht G, Christophe J: Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Anticholinergic Agents; Muscarinic Antagonists; Pyrrolidines; Anti-Parkinson Drugs; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Tertiary Amines; Agents producing tachycardia; Cholinergic Agents; Anti-Dyskinesia Agents	OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1					6030	46505553	D08425	PA164784001		DAP001110	Procyclidine	CHEMBL86715	8718
DB00388	Phenylephrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17584443; 17658513	"Martinez-Salas SG, Campos-Peralta JM, Pares-Hipolito J, Gallardo-Ortiz IA, Ibarra M, Villalobos-Molina R: Alpha1A-adrenoceptors predominate in the control of blood pressure in mouse mesenteric vascular bed. Auton Autacoid Pharmacol. 2007 Jul;27(3):137-42.@@Tomiyama Y, Kobayashi K, Tadachi M, Kobayashi S, Inada Y, Kobayashi M, Yamazaki Y: Expressions and mechanical functions of alpha1-adrenoceptor subtypes in hamster ureter. Eur J Pharmacol. 2007 Nov 14;573(1-3):201-5. Epub 2007 Jul 6."	Approved	1-hydroxy-4-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids	"Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Nasal Decongestants; Agents producing tachycardia; Autonomic Agents; Sympathomimetics Used as Decongestants; Amino Alcohols; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Nasal Preparations; Cardiotonic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenergic Agonists; Mydriatics and Cycloplegics; Sympathomimetic (Adrenergic) Agents; Mydriatics; Nasal Decongestants for Systemic Use; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Decongestants and Antiallergics; Cardiac Therapy; Monoamine Oxidase A Substrates; Sympathomimetics Excl. Antiglaucoma Preparations; Neurotransmitter Agents; Sympathomimetics, Plain; Ethanolamines; Adrenergic Agents; Sensory Organs"	CNC[C@H](O)C1=CC(O)=CC=C1					6500	46506961	D08365	PA450935		DAP000224	Phenylephrine	CHEMBL1215	8163
DB00388	Phenylephrine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	1-hydroxy-4-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids	"Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Nasal Decongestants; Agents producing tachycardia; Autonomic Agents; Sympathomimetics Used as Decongestants; Amino Alcohols; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Nasal Preparations; Cardiotonic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenergic Agonists; Mydriatics and Cycloplegics; Sympathomimetic (Adrenergic) Agents; Mydriatics; Nasal Decongestants for Systemic Use; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Decongestants and Antiallergics; Cardiac Therapy; Monoamine Oxidase A Substrates; Sympathomimetics Excl. Antiglaucoma Preparations; Neurotransmitter Agents; Sympathomimetics, Plain; Ethanolamines; Adrenergic Agents; Sensory Organs"	CNC[C@H](O)C1=CC(O)=CC=C1					6500	46506961	D08365	PA450935		DAP000224	Phenylephrine	CHEMBL1215	8163
DB00389	Carbimazole	BE0000507	TPO	P07202	PERT_HUMAN	inhibitor	11752352; 17042691; 6706930; 1278093; 7952157; 7528484; 476986; 18055877	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Guilhem I, Massart C, Poirier JY, Maugendre D: Differential evolution of thyroid peroxidase and thyrotropin receptor antibodies in Graves' disease: thyroid peroxidase antibody activity reverts to pretreatment level after carbimazole withdrawal. Thyroid. 2006 Oct;16(10):1041-5.@@Magnusson RP, Taurog A, Dorris ML: Mechanism of iodide-dependent catalatic activity of thyroid peroxidase and lactoperoxidase. J Biol Chem. 1984 Jan 10;259(1):197-205.@@Taurog A: The mechanism of action of the thioureylene antithyroid drugs. Endocrinology. 1976 Apr;98(4):1031-46.@@Perrild H, Gruters-Kieslich A, Feldt-Rasmussen U, Grant D, Martino E, Kayser L, Delange F: Diagnosis and treatment of thyrotoxicosis in childhood. A European questionnaire study. Eur J Endocrinol. 1994 Nov;131(5):467-73.@@Orgiazzi J, Millot L: [Theoretical aspects of the treatment with antithyroid drugs]. Ann Endocrinol (Paris). 1994;55(1):1-5.@@Nakashima T, Taurog A: Rapid conversion of carbimazole to methimazole in serum; evidence for an enzymatic mechanism. Clin Endocrinol (Oxf). 1979 Jun;10(6):637-48.@@Humar M, Dohrmann H, Stein P, Andriopoulos N, Goebel U, Roesslein M, Schmidt R, Schwer CI, Loop T, Geiger KK, Pahl HL, Pannen BH: Thionamides inhibit the transcription factor nuclear factor-kappaB by suppression of Rac1 and inhibitor of kappaB kinase alpha. J Pharmacol Exp Ther. 2008 Mar;324(3):1037-44. Epub 2007 Nov 30."	Approved; Investigational	Carbonylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Agents Causing Muscle Toxicity; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Thyroid Products; Imidazoles; Antithyroid agents; Sulfur-Containing Imidazole Derivatives; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCOC(=O)N1C=CN(C)C1=S						46506359	D07616	PA164742970		DAP000762	Carbimazole	CHEMBL508102	2020
DB00390	Digoxin	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	11272406; 11309248; 11324464; 11515751; 11687608	"Ravikumar A, Arun P, Devi KV, Augustine J, Kurup PA: Isoprenoid pathway and free radical generation and damage in neuropsychiatric disorders. Indian J Exp Biol. 2000 May;38(5):438-46.@@Chen JJ, Wang PS, Chien EJ, Wang SW: Direct inhibitory effect of digitalis on progesterone release from rat granulosa cells. Br J Pharmacol. 2001 Apr;132(8):1761-8.@@Ke YS, Liu ZF, Yang H, Yang T, Huang JS, Rui SB, Cheng GH, Wang YX: Effect of anti-digoxin antiserum on endoxin and membrane ATPase activity in hypoxia-reoxygenation induced myocardial injury. Acta Pharmacol Sin. 2000 Apr;21(4):345-7.@@Kumar AR, Kurup PA: A hypothalamic digoxin mediated model for conscious and subliminal perception. J Neural Transm (Vienna). 2001;108(7):855-68.@@Aizman O, Uhlen P, Lal M, Brismar H, Aperia A: Ouabain, a steroid hormone that signals with slow calcium oscillations. Proc Natl Acad Sci U S A. 2001 Nov 6;98(23):13420-4. Epub 2001 Oct 30."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"OATP1B1/SLCO1B1 Inhibitors; Digoxin, immunology; Digoxin and derivatives; Glycosides; QTc Prolonging Agents; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cardiovascular Agents; Agents causing hyperkalemia; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; P-glycoprotein substrates; Cardiotonic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Potential QTc-Prolonging Agents; Cardanolides; Digitalis Glycosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cardenolides; BSEP/ABCB11 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cardiac Therapy; Bradycardia-Causing Agents; Narrow Therapeutic Index Drugs"	[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1					6731	46508524	D00298	PA449319		DAP000744	Digoxin	CHEMBL1751	3407
DB00391	Sulpiride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12010185; 7518029; 11752352	"Cavallotti C, Nuti F, Bruzzone P, Mancone M: Age-related changes in dopamine D2 receptors in rat heart and coronary vessels. Clin Exp Pharmacol Physiol. 2002 May-Jun;29(5-6):412-8.@@Jaber M, Tison F, Fournier MC, Bloch B: Differential influence of haloperidol and sulpiride on dopamine receptors and peptide mRNA levels in the rat striatum and pituitary. Brain Res Mol Brain Res. 1994 Apr;23(1-2):14-20.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O						46504855	D01226	PA164745485		DAP000310	Sulpiride	CHEMBL26	10239
DB00391	Sulpiride	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	19795811; 18973551	"Lipina TV, Vishnivetskaia GB: [Effect of sulpiride on immobility reflex and pinch-induced catalepsy in CBA/Lac male mice with various social status]. Zh Vyssh Nerv Deiat Im I P Pavlova. 2009 Jul-Aug;59(4):482-7.@@Collo G, Zanetti S, Missale C, Spano P: Dopamine D3 receptor-preferring agonists increase dendrite arborization of mesencephalic dopaminergic neurons via extracellular signal-regulated kinase phosphorylation. Eur J Neurosci. 2008 Oct;28(7):1231-40. doi: 10.1111/j.1460-9568.2008.06423.x."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O						46504855	D01226	PA164745485		DAP000310	Sulpiride	CHEMBL26	10239
DB00391	Sulpiride	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"MATE 1 Substrates; MATE 2 Substrates; QTc Prolonging Agents; Amides; Benzene Derivatives; Antidepressive Agents; OCT2 Substrates; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O						46504855	D01226	PA164745485		DAP000310	Sulpiride	CHEMBL26	10239
DB00392	Profenamine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17139284; 17016423; 12681372; 2849655	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jevtovic-Todorovic V, Meyenburg AP, Olney JW, Wozniak DF: Anti-parkinsonian agents procyclidine and ethopropazine alleviate thermal hyperalgesia in neuropathic rats. Neuropharmacology. 2003 May;44(6):739-48.@@Reynolds IJ, Miller RJ: [3H]MK801 binding to the N-methyl-D-aspartate receptor reveals drug interactions with the zinc and magnesium binding sites. J Pharmacol Exp Ther. 1988 Dec;247(3):1025-31."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Adrenergic Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Histamine Agents; Sulfur Compounds; Agents producing tachycardia; Cholinergic Agents; Adrenergic Agents; Tertiary Amines; NMDA Receptor Antagonists"	CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12					7948	46507375	D01118	PA449531		DAP001119	Profenamine	CHEMBL1206	4134
DB00392	Profenamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	2904117; 2236897	"Burke RE: The relative selectivity of anticholinergic drugs for the M1 and M2 muscarinic receptor subtypes. Mov Disord. 1986;1(2):135-44.@@Katayama S, Ishizaki F, Yamamura Y, Khoriyama T, Kito S: Effects of anticholinergic antiparkinsonian drugs on binding of muscarinic receptor subtypes in rat brain. Res Commun Chem Pathol Pharmacol. 1990 Sep;69(3):261-70."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Adrenergic Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Nervous System; Histamine Agents; Sulfur Compounds; Agents producing tachycardia; Cholinergic Agents; Adrenergic Agents; Tertiary Amines; NMDA Receptor Antagonists"	CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12					7948	46507375	D01118	PA449531		DAP001119	Profenamine	CHEMBL1206	4134
DB00393	Nimodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 8731425; 20334460; 20335610; 19844625; 20661350; 17705883	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Marchetti C, Usai C: High affinity block by nimodipine of the internal calcium elevation in chronically depolarized rat cerebellar granule neurons. Neurosci Lett. 1996 Mar 29;207(2):77-80.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	19029287; 20334460; 20335610; 19844625; 20661350; 17705883	"Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0002357	CACNA1F	O60840	CAC1F_HUMAN	inhibitor	20334460; 20335610; 19844625; 20661350	"Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352; 20334460; 19844625; 20661350; 17705883	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0002356	CACNB4	O00305	CACB4_HUMAN	inhibitor	20334460; 20335610; 19844625; 20661350; 17705883	"Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	18250364	"Dietz JD, Du S, Bolten CW, Payne MA, Xia C, Blinn JR, Funder JW, Hu X: A number of marketed dihydropyridine calcium channel blockers have mineralocorticoid receptor antagonist activity. Hypertension. 2008 Mar;51(3):742-8. doi: 10.1161/HYPERTENSIONAHA.107.103580. Epub 2008 Feb 4."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00393	Nimodipine	BE0003721	AHR	P35869	AHR_HUMAN	agonist	17327465	"Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00394	Beclomethasone dipropionate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	12010562; 16507850; 15860753; 2207292	"Saklatvala J: Glucocorticoids: do we know how they work? Arthritis Res. 2002;4(3):146-50. Epub 2002 Jan 21.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Usmani OS, Ito K, Maneechotesuwan K, Ito M, Johnson M, Barnes PJ, Adcock IM: Glucocorticoid receptor nuclear translocation in airway cells after inhaled combination therapy. Am J Respir Crit Care Med. 2005 Sep 15;172(6):704-12. Epub 2005 Apr 28.@@Wurthwein G, Rohdewald P: Activation of beclomethasone dipropionate by hydrolysis to beclomethasone-17-monopropionate. Biopharm Drug Dispos. 1990 Jul;11(5):381-94."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Steroids, Chlorinated; Fused-Ring Compounds; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7567	46509195	D07495	PA448547		DAP000416	Beclometasone	CHEMBL1200500	1348
DB00395	Carisoprodol	BE0002346	GABRB2	P47870	GBRB2_HUMAN	modulator	19244096; 26872987; 20419052	"Gonzalez LA, Gatch MB, Taylor CM, Bell-Horner CL, Forster MJ, Dillon GH: Carisoprodol-mediated modulation of GABAA receptors: in vitro and in vivo studies. J Pharmacol Exp Ther. 2009 May;329(2):827-37. doi: 10.1124/jpet.109.151142. Epub  2009 Feb 24.@@Kumar M, Dillon GH: Assessment of direct gating and allosteric modulatory effects of meprobamate in recombinant GABA(A) receptors. Eur J Pharmacol. 2016 Mar 15;775:149-58. doi: 10.1016/j.ejphar.2016.02.031. Epub 2016 Feb 9.@@Gonzalez LA, Gatch MB, Forster MJ, Dillon GH: Abuse Potential of Soma: the GABA(A) Receptor as a Target. Mol Cell Pharmacol. 2009 Jan 1;1(4):180-186."	Approved	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Carbamates; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Substrates"	CCCC(C)(COC(N)=O)COC(=O)NC(C)C					9924	46506377	D00768	PA448809			Carisoprodol	CHEMBL1233	2101
DB00395	Carisoprodol	BE0000471	GABRA5	P31644	GBRA5_HUMAN	modulator	26872987	"Kumar M, Dillon GH: Assessment of direct gating and allosteric modulatory effects of meprobamate in recombinant GABA(A) receptors. Eur J Pharmacol. 2016 Mar 15;775:149-58. doi: 10.1016/j.ejphar.2016.02.031. Epub 2016 Feb 9."	Approved	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Carbamates; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Substrates"	CCCC(C)(COC(N)=O)COC(=O)NC(C)C					9924	46506377	D00768	PA448809			Carisoprodol	CHEMBL1233	2101
DB00395	Carisoprodol	BE0000523	GABRA3	P34903	GBRA3_HUMAN	modulator	26872987; 28642232	"Kumar M, Dillon GH: Assessment of direct gating and allosteric modulatory effects of meprobamate in recombinant GABA(A) receptors. Eur J Pharmacol. 2016 Mar 15;775:149-58. doi: 10.1016/j.ejphar.2016.02.031. Epub 2016 Feb 9.@@Kumar M, Kumar M, Freund JM, Dillon GH: A Single Amino Acid Residue at Transmembrane Domain 4 of the alpha Subunit Influences Carisoprodol Direct Gating Efficacy at GABAA Receptors. J Pharmacol Exp Ther. 2017 Sep;362(3):395-404. doi: 10.1124/jpet.117.242156. Epub 2017 Jun 22."	Approved	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Carbamates; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Substrates"	CCCC(C)(COC(N)=O)COC(=O)NC(C)C					9924	46506377	D00768	PA448809			Carisoprodol	CHEMBL1233	2101
DB00396	Progesterone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	17013809; 17015480; 17138644; 17169175; 9506743; 30013421	"Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Tranguch S, Smith DF, Dey SK: Progesterone receptor requires a co-chaperone for signalling in uterine biology and implantation. Reprod Biomed Online. 2006 Nov;13(5):651-60.@@Luconi M, Bonaccorsi L, Maggi M, Pecchioli P, Krausz C, Forti G, Baldi E: Identification and characterization of functional nongenomic progesterone receptors on human sperm membrane. J Clin Endocrinol Metab. 1998 Mar;83(3):877-85.@@Okada H, Tsuzuki T, Murata H: Decidualization of the human endometrium. Reprod Med Biol. 2018 Feb 1;17(3):220-227. doi: 10.1002/rmb2.12088. eCollection 2018 Jul."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00396	Progesterone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	8282004; 12039699; 8928765; 7588320	"Rupprecht R, Reul JM, van Steensel B, Spengler D, Soder M, Berning B, Holsboer F, Damm K: Pharmacological and functional characterization of human mineralocorticoid and glucocorticoid receptor ligands. Eur J Pharmacol. 1993 Oct 15;247(2):145-54.@@Quinkler M, Meyer B, Bumke-Vogt C, Grossmann C, Gruber U, Oelkers W, Diederich S, Bahr V: Agonistic and antagonistic properties of progesterone metabolites at the human mineralocorticoid receptor. Eur J Endocrinol. 2002 Jun;146(6):789-99.@@Myles K, Funder JW: Progesterone binding to mineralocorticoid receptors: in vitro and in vivo studies. Am J Physiol. 1996 Apr;270(4 Pt 1):E601-7. doi: 10.1152/ajpendo.1996.270.4.E601.@@Souque A, Fagart J, Couette B, Davioud E, Sobrio F, Marquet A, Rafestin-Oblin ME: The mineralocorticoid activity of progesterone derivatives depends on the nature of the C18 substituent. Endocrinology. 1995 Dec;136(12):5651-8. doi: 10.1210/endo.136.12.7588320."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00396	Progesterone	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17118173; 17341305; 26153859; 19094096; 11014241	"Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22.@@Mohammed H, Russell IA, Stark R, Rueda OM, Hickey TE, Tarulli GA, Serandour AA, Birrell SN, Bruna A, Saadi A, Menon S, Hadfield J, Pugh M, Raj GV, Brown GD, D'Santos C, Robinson JL, Silva G, Launchbury R, Perou CM, Stingl J, Caldas C, Tilley WD, Carroll JS: Progesterone receptor modulates ERalpha action in breast cancer. Nature. 2015 Jul 16;523(7560):313-7. doi: 10.1038/nature14583. Epub 2015 Jul 8.@@Jayaraman A, Pike CJ: Progesterone attenuates oestrogen neuroprotection via downregulation of oestrogen receptor expression in cultured neurones. J Neuroendocrinol. 2009 Jan;21(1):77-81. doi: 10.1111/j.1365-2826.2008.01801.x.@@Tessier C, Deb S, Prigent-Tessier A, Ferguson-Gottschall S, Gibori GB, Shiu RP, Gibori G: Estrogen receptors alpha and beta in rat decidua cells: cell-specific expression and differential regulation by steroid hormones and prolactin. Endocrinology. 2000 Oct;141(10):3842-51. doi: 10.1210/endo.141.10.7734."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00396	Progesterone	BE0000632	OPRK1	P41145	OPRK_HUMAN	activator	8867260; 8918680	"Dawson-Basoa ME, Gintzler AR: Estrogen and progesterone activate spinal kappa-opiate receptor analgesic mechanisms. Pain. 1996 Jan;64(1):169-77.@@Gordon FT, Soliman MR: The effects of estradiol and progesterone on pain sensitivity and brain opioid receptors in ovariectomized rats. Horm Behav. 1996 Sep;30(3):244-50. doi: 10.1006/hbeh.1996.0029."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00396	Progesterone	BE0000794	NR3C1	P04150	GCR_HUMAN	partial agonist	18060946; 2214763; 14617569	"Attardi BJ, Zeleznik A, Simhan H, Chiao JP, Mattison DR, Caritis SN: Comparison of progesterone and glucocorticoid receptor binding and stimulation of gene expression by progesterone, 17-alpha hydroxyprogesterone caproate, and related progestins. Am J Obstet Gynecol. 2007 Dec;197(6):599.e1-7.@@Xu XF, Hoebeke J, Bjorntorp P: Progestin binds to the glucocorticoid receptor and mediates antiglucocorticoid effect in rat adipose precursor cells. J Steroid Biochem. 1990 Aug 14;36(5):465-71.@@Leo JC, Guo C, Woon CT, Aw SE, Lin VC: Glucocorticoid and mineralocorticoid cross-talk with progesterone receptor to induce focal adhesion and growth inhibition in breast cancer cells. Endocrinology. 2004 Mar;145(3):1314-21. doi: 10.1210/en.2003-0732. Epub 2003 Nov 14."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00396	Progesterone	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	20977477; 19094096; 11014241; 17341305	"Aguirre C, Jayaraman A, Pike C, Baudry M: Progesterone inhibits estrogen-mediated neuroprotection against excitotoxicity by down-regulating estrogen receptor-beta. J Neurochem. 2010 Dec;115(5):1277-87. doi: 10.1111/j.1471-4159.2010.07038.x. Epub 2010 Oct 26.@@Jayaraman A, Pike CJ: Progesterone attenuates oestrogen neuroprotection via downregulation of oestrogen receptor expression in cultured neurones. J Neuroendocrinol. 2009 Jan;21(1):77-81. doi: 10.1111/j.1365-2826.2008.01801.x.@@Tessier C, Deb S, Prigent-Tessier A, Ferguson-Gottschall S, Gibori GB, Shiu RP, Gibori G: Estrogen receptors alpha and beta in rat decidua cells: cell-specific expression and differential regulation by steroid hormones and prolactin. Endocrinology. 2000 Oct;141(10):3842-51. doi: 10.1210/endo.141.10.7734.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OATP1B3 inducers; Pregnenes; OCT2 Inhibitors; Progestin-containing Intrauterine Device; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Progesterone, antagonists & inhibitors; Progestins; Cytochrome P-450 Enzyme Inducers; Progesterone and Derivatives; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Corpus Luteum Hormones; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Pregnenediones; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; BCRP/ABCG2 Inducers; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic		7554	46508968	D00066	PA451123		DAP000549	Progesterone	CHEMBL103	8727
DB00398	Sorafenib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor	16609060; 16901402; 17575107; 16880785; 20812347; 11752352; 20586710	"Flaherty KT: Chemotherapy and targeted therapy combinations in advanced melanoma. Clin Cancer Res. 2006 Apr 1;12(7 Pt 2):2366s-2370s.@@Haluska FG, Ibrahim N: Therapeutic targets in melanoma: map kinase pathway. Curr Oncol Rep. 2006 Sep;8(5):400-5.@@Kim S, Yazici YD, Calzada G, Wang ZY, Younes MN, Jasser SA, El-Naggar AK, Myers JN: Sorafenib inhibits the angiogenesis and growth of orthotopic anaplastic thyroid carcinoma xenografts in nude mice. Mol Cancer Ther. 2007 Jun;6(6):1785-92.@@Eisen T, Ahmad T, Flaherty KT, Gore M, Kaye S, Marais R, Gibbens I, Hackett S, James M, Schuchter LM, Nathanson KL, Xia C, Simantov R, Schwartz B, Poulin-Costello M, O'Dwyer PJ, Ratain MJ: Sorafenib in advanced melanoma: a Phase II randomised discontinuation trial analysis. Br J Cancer. 2006 Sep 4;95(5):581-6. Epub 2006 Aug 1.@@Lu X, Tang X, Guo W, Ren T, Zhao H: Sorafenib induces growth inhibition and apoptosis of human chondrosarcoma cells by blocking the RAF/ERK/MEK pathway. J Surg Oncol. 2010 Dec 1;102(7):821-6. doi: 10.1002/jso.21661.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000036	RAF1	P04049	RAF1_HUMAN	inhibitor	16757355; 16890795; 17266941; 17272980; 17296815; 20812347; 18794803; 18852116; 20586710	"Adnane L, Trail PA, Taylor I, Wilhelm SM: Sorafenib (BAY 43-9006, Nexavar), a dual-action inhibitor that targets RAF/MEK/ERK pathway in tumor cells and tyrosine kinases VEGFR/PDGFR in tumor vasculature. Methods Enzymol. 2006;407:597-612.@@Gollob JA, Wilhelm S, Carter C, Kelley SL: Role of Raf kinase in cancer: therapeutic potential of targeting the Raf/MEK/ERK signal transduction pathway. Semin Oncol. 2006 Aug;33(4):392-406.@@Huether A, Hopfner M, Baradari V, Schuppan D, Scherubl H: Sorafenib alone or as combination therapy for growth control of cholangiocarcinoma. Biochem Pharmacol. 2007 May 1;73(9):1308-17. Epub 2007 Jan 5.@@Cascone T, Gridelli C, Ciardiello F: Combined targeted therapies in non-small cell lung cancer: a winner strategy? Curr Opin Oncol. 2007 Mar;19(2):98-102.@@Gridelli C, Maione P, Del Gaizo F, Colantuoni G, Guerriero C, Ferrara C, Nicolella D, Comunale D, De Vita A, Rossi A: Sorafenib and sunitinib in the treatment of advanced non-small cell lung cancer. Oncologist. 2007 Feb;12(2):191-200.@@Lu X, Tang X, Guo W, Ren T, Zhao H: Sorafenib induces growth inhibition and apoptosis of human chondrosarcoma cells by blocking the RAF/ERK/MEK pathway. J Surg Oncol. 2010 Dec 1;102(7):821-6. doi: 10.1002/jso.21661.@@Smalley KS, Xiao M, Villanueva J, Nguyen TK, Flaherty KT, Letrero R, Van Belle P, Elder DE, Wang Y, Nathanson KL, Herlyn M: CRAF inhibition induces apoptosis in melanoma cells with non-V600E BRAF mutations. Oncogene. 2009 Jan 8;28(1):85-94. doi: 10.1038/onc.2008.362. Epub 2008 Sep 15.@@Wilhelm SM, Adnane L, Newell P, Villanueva A, Llovet JM, Lynch M: Preclinical overview of sorafenib, a multikinase inhibitor that targets both Raf and VEGF and PDGF receptor tyrosine kinase signaling. Mol Cancer Ther. 2008 Oct;7(10):3129-40. doi: 10.1158/1535-7163.MCT-08-0013.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	16133532; 16757355; 17296815; 16474853; 16729906; 20586710	"Lathia C, Lettieri J, Cihon F, Gallentine M, Radtke M, Sundaresan P: Lack of effect of ketoconazole-mediated CYP3A inhibition on sorafenib clinical pharmacokinetics. Cancer Chemother Pharmacol. 2006 May;57(5):685-92. Epub 2005 Aug 25.@@Adnane L, Trail PA, Taylor I, Wilhelm SM: Sorafenib (BAY 43-9006, Nexavar), a dual-action inhibitor that targets RAF/MEK/ERK pathway in tumor cells and tyrosine kinases VEGFR/PDGFR in tumor vasculature. Methods Enzymol. 2006;407:597-612.@@Gridelli C, Maione P, Del Gaizo F, Colantuoni G, Guerriero C, Ferrara C, Nicolella D, Comunale D, De Vita A, Rossi A: Sorafenib and sunitinib in the treatment of advanced non-small cell lung cancer. Oncologist. 2007 Feb;12(2):191-200.@@Strumberg D: Preclinical and clinical development of the oral multikinase inhibitor sorafenib in cancer treatment. Drugs Today (Barc). 2005 Dec;41(12):773-84.@@Reddy GK, Bukowski RM: Sorafenib: recent update on activity as a single agent and in combination with interferon-alpha2 in patients with advanced-stage renal cell carcinoma. Clin Genitourin Cancer. 2006 Mar;4(4):246-8.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	16418310; 16446323; 16503817; 16757355; 16824050; 20586710	"Schoffski P, Dumez H, Clement P, Hoeben A, Prenen H, Wolter P, Joniau S, Roskams T, Van Poppel H: Emerging role of tyrosine kinase inhibitors in the treatment of advanced renal cell cancer: a review. Ann Oncol. 2006 Aug;17(8):1185-96. Epub 2006 Jan 17.@@Veronese ML, Mosenkis A, Flaherty KT, Gallagher M, Stevenson JP, Townsend RR, O'Dwyer PJ: Mechanisms of hypertension associated with BAY 43-9006. J Clin Oncol. 2006 Mar 20;24(9):1363-9. Epub 2006 Jan 30.@@Rini BI: Sorafenib. Expert Opin Pharmacother. 2006 Mar;7(4):453-61.@@Adnane L, Trail PA, Taylor I, Wilhelm SM: Sorafenib (BAY 43-9006, Nexavar), a dual-action inhibitor that targets RAF/MEK/ERK pathway in tumor cells and tyrosine kinases VEGFR/PDGFR in tumor vasculature. Methods Enzymol. 2006;407:597-612.@@Lacouture ME, Desai A, Soltani K, Petronic-Rosic V, Laumann AE, Ratain MJ, Stadler WM: Inflammation of actinic keratoses subsequent to therapy with sorafenib, a multitargeted tyrosine-kinase inhibitor. Clin Exp Dermatol. 2006 Nov;31(6):783-5. Epub 2006 Jul 4.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	15466206; 16507829; 17016424; 20586710	"Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	17205056; 17229632; 20586710	"Auclair D, Miller D, Yatsula V, Pickett W, Carter C, Chang Y, Zhang X, Wilkie D, Burd A, Shi H, Rocks S, Gedrich R, Abriola L, Vasavada H, Lynch M, Dumas J, Trail PA, Wilhelm SM: Antitumor activity of sorafenib in FLT3-driven leukemic cells. Leukemia. 2007 Mar;21(3):439-45. Epub 2007 Jan 4.@@Lierman E, Lahortiga I, Van Miegroet H, Mentens N, Marynen P, Cools J: The ability of sorafenib to inhibit oncogenic PDGFRbeta and FLT3 mutants and overcome resistance to other small molecule inhibitors. Haematologica. 2007 Jan;92(1):27-34.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0000453	KIT	P10721	KIT_HUMAN	antagonist	17545544; 17102120; 17229632; 17272980; 17178882; 20586710	"Guida T, Anaganti S, Provitera L, Gedrich R, Sullivan E, Wilhelm SM, Santoro M, Carlomagno F: Sorafenib inhibits imatinib-resistant KIT and platelet-derived growth factor receptor beta gatekeeper mutants. Clin Cancer Res. 2007 Jun 1;13(11):3363-9.@@Koch CA, Gimm O, Vortmeyer AO, Al-Ali HK, Lamesch P, Ott R, Kluge R, Bierbach U, Tannapfel A: Does the expression of c-kit (CD117) in neuroendocrine tumors represent a target for therapy? Ann N Y Acad Sci. 2006 Aug;1073:517-26.@@Lierman E, Lahortiga I, Van Miegroet H, Mentens N, Marynen P, Cools J: The ability of sorafenib to inhibit oncogenic PDGFRbeta and FLT3 mutants and overcome resistance to other small molecule inhibitors. Haematologica. 2007 Jan;92(1):27-34.@@Cascone T, Gridelli C, Ciardiello F: Combined targeted therapies in non-small cell lung cancer: a winner strategy? Curr Opin Oncol. 2007 Mar;19(2):98-102.@@Liu L, Cao Y, Chen C, Zhang X, McNabola A, Wilkie D, Wilhelm S, Lynch M, Carter C: Sorafenib blocks the RAF/MEK/ERK pathway, inhibits tumor angiogenesis, and induces tumor cell apoptosis in hepatocellular carcinoma model PLC/PRF/5. Cancer Res. 2006 Dec 15;66(24):11851-8.@@Iyer R, Fetterly G, Lugade A, Thanavala Y: Sorafenib: a clinical and pharmacologic review. Expert Opin Pharmacother. 2010 Aug;11(11):1943-55. doi: 10.1517/14656566.2010.496453."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	15466206; 16507829; 17016424	"Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00398	Sorafenib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	15466206; 16507829; 17016424	"Wilhelm SM, Carter C, Tang L, Wilkie D, McNabola A, Rong H, Chen C, Zhang X, Vincent P, McHugh M, Cao Y, Shujath J, Gawlak S, Eveleigh D, Rowley B, Liu L, Adnane L, Lynch M, Auclair D, Taylor I, Gedrich R, Voznesensky A, Riedl B, Post LE, Bollag G, Trail PA: BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis. Cancer Res. 2004 Oct 1;64(19):7099-109.@@Carlomagno F, Anaganti S, Guida T, Salvatore G, Troncone G, Wilhelm SM, Santoro M: BAY 43-9006 inhibition of oncogenic RET mutants. J Natl Cancer Inst. 2006 Mar 1;98(5):326-34.@@Wilhelm S, Carter C, Lynch M, Lowinger T, Dumas J, Smith RA, Schwartz B, Simantov R, Kelley S: Discovery and development of sorafenib: a multikinase inhibitor for treating cancer. Nat Rev Drug Discov. 2006 Oct;5(10):835-44."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; UGT1A9 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Phenylurea Compounds; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1		Sorafenib Metabolism Pathway	drug_metabolism		15231	46505329	D08524	PA7000		DAP000006	Sorafenib	CHEMBL1336	495881
DB00400	Griseofulvin	BE0004660	KRT12	Q99456	K1C12_HUMAN	other/unknown	12388748; 14693542	"Nakamichi I, Hatakeyama S, Nakayama KI: Formation of Mallory body-like inclusions and cell death induced by deregulated expression of keratin 18. Mol Biol Cell. 2002 Oct;13(10):3441-51.@@Sobue S, Sekiguchi K, Nabeshima T: Intracutaneous distributions of fluconazole, itraconazole, and griseofulvin in Guinea pigs and binding to human stratum corneum. Antimicrob Agents Chemother. 2004 Jan;48(1):216-23."	Approved; Investigational; Vet_approved	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans	"Tubulin Inhibiting Agent; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anti-Infective Agents; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Antifungals for Topical Use; Antifungal Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Benzofurans; Antifungals for Dermatological Use; Cytochrome P-450 CYP3A4 Inducers; Decreased Mitosis; Dermatologicals; Microtubule Inhibition; Antifungals for Systemic Use"	COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC					8569	46508437	D00209	PA449814		DAP000539	Griseofulvin	CHEMBL562	5021
DB00401	Nisoldipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 9584217; 9846638; 7592963	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hu H, Marban E: Isoform-specific inhibition of L-type calcium channels by dihydropyridines is independent of isoform-specific gating properties. Mol Pharmacol. 1998 May;53(5):902-7.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Wei X, Pan S, Lang W, Kim H, Schneider T, Perez-Reyes E, Birnbaumer L: Molecular determinants of cardiac Ca2+ channel pharmacology. Subunit requirement for the high affinity and allosteric regulation of dihydropyridine binding. J Biol Chem. 1995 Nov 10;270(45):27106-11."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C		Nisoldipine Action Pathway	drug_action			46504546	D00618	PA450634		DAP000595	Nisoldipine	CHEMBL1726	7435
DB00401	Nisoldipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C		Nisoldipine Action Pathway	drug_action			46504546	D00618	PA450634		DAP000595	Nisoldipine	CHEMBL1726	7435
DB00401	Nisoldipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C		Nisoldipine Action Pathway	drug_action			46504546	D00618	PA450634		DAP000595	Nisoldipine	CHEMBL1726	7435
DB00401	Nisoldipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	19029287	"Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C		Nisoldipine Action Pathway	drug_action			46504546	D00618	PA450634		DAP000595	Nisoldipine	CHEMBL1726	7435
DB00402	Eszopiclone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	19698408; 8241608; 25817320	"Doble A, Canton T, Malgouris C, Stutzmann J, Piot O, Bardone M, Pauchet C, Blanchard J: The mechanism of action of zopiclone. Eur Psychiatry. 1995;10 Suppl 3:117s-28s. doi: 10.1016/0924-9338(96)80093-9.@@Wadworth AN, McTavish D: Zopiclone. A review of its pharmacological properties and therapeutic efficacy as an hypnotic. Drugs Aging. 1993 Sep-Oct;3(5):441-59. doi: 10.2165/00002512-199303050-00006.@@Dixon CL, Harrison NL, Lynch JW, Keramidas A: Zolpidem and eszopiclone prime alpha1beta2gamma2 GABAA receptors for longer duration of activity. Br J Pharmacol. 2015 Jul;172(14):3522-36. doi: 10.1111/bph.13142. Epub 2015 May 11."	Approved; Investigational	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	"Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System"	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					22704	46505809		PA162630444		DAP000933	Eszopiclone	CHEMBL1522	461016
DB00402	Eszopiclone	BE0000381	GABRA2	P47869	GBRA2_HUMAN	agonist	19942638; 18973287	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m."	Approved; Investigational	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	"Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System"	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					22704	46505809		PA162630444		DAP000933	Eszopiclone	CHEMBL1522	461016
DB00402	Eszopiclone	BE0000523	GABRA3	P34903	GBRA3_HUMAN	agonist	19942638; 18973287	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m."	Approved; Investigational	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	"Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System"	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					22704	46505809		PA162630444		DAP000933	Eszopiclone	CHEMBL1522	461016
DB00402	Eszopiclone	BE0000471	GABRA5	P31644	GBRA5_HUMAN	agonist	19942638; 18973287	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m."	Approved; Investigational	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	"Piperazines; Cytochrome P-450 CYP3A Substrates; Pyrazines; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Nervous System"	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					22704	46505809		PA162630444		DAP000933	Eszopiclone	CHEMBL1522	461016
DB00404	Alprazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	18384456; 14978513; 29950725; 23038269	"Riss J, Cloyd J, Gates J, Collins S: Benzodiazepines in epilepsy: pharmacology and pharmacokinetics. Acta Neurol Scand. 2008 Aug;118(2):69-86. doi: 10.1111/j.1600-0404.2008.01004.x. Epub 2008 Mar 31.@@Verster JC, Volkerts ER: Clinical pharmacology, clinical efficacy, and behavioral toxicity of alprazolam: a review of the literature. CNS Drug Rev. 2004 Spring;10(1):45-76.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit; Investigational	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Amines; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Catechols; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tranquilizing Agents; Neurotransmitter Agents; Ethanolamines; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12					2072	46507078	D00225	PA448333		DAP000239	Alprazolam	CHEMBL661	596
DB00404	Alprazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Amines; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Catechols; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tranquilizing Agents; Neurotransmitter Agents; Ethanolamines; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12					2072	46507078	D00225	PA448333		DAP000239	Alprazolam	CHEMBL661	596
DB00405	Dexbrompheniramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	9691225; 1680053; 1970615; 7714410; 19085565; 11752352	"McLeod RL, Mingo G, O'Reilly S, Ruck LA, Bolser DC, Hey JA: Antitussive action of antihistamines is independent of sedative and ventilation activity in the guinea pig. Pharmacology. 1998 Aug;57(2):57-64.@@Bokesoy TA, Onaran HO: Atypical Schild plots with histamine H1 receptor agonists and antagonists in the rabbit aorta. Eur J Pharmacol. 1991 May 2;197(1):49-56.@@Onaran HO, Bokesoy TA: Kinetics of antagonism at histamine-H1 receptors in isolated rabbit arteries. Naunyn Schmiedebergs Arch Pharmacol. 1990 Apr;341(4):316-23.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Sadofsky LR, Campi B, Trevisani M, Compton SJ, Morice AH: Transient receptor potential vanilloid-1-mediated calcium responses are inhibited by the alkylamine antihistamines dexbrompheniramine and chlorpheniramine. Exp Lung Res. 2008 Dec;34(10):681-93. doi: 10.1080/01902140802339623.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Potential QTc-Prolonging Agents; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Pyridines	CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1		Dexbrompheniramine H1-Antihistamine Action	drug_action		9733	46505186		PA164746251		DAP001068	Dexbrompheniramine	CHEMBL1201287	22696
DB00408	Loxapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	6239298; 15694653; 9570468; 8101879; 9342550; 8665533; 11752352	"Lee T, Tang SW: Loxapine and clozapine decrease serotonin (S2) but do not elevate dopamine (D2) receptor numbers in the rat brain. Psychiatry Res. 1984 Aug;12(4):277-85.@@Hjerde E, Dahl SG, Sylte I: Atypical and typical antipsychotic drug interactions with the dopamine D2 receptor. Eur J Med Chem. 2005 Feb;40(2):185-94.@@Kalkman HO, Neumann V, Nozulak J, Tricklebank MD: Cataleptogenic effect of subtype selective 5-HT receptor antagonists in the rat. Eur J Pharmacol. 1998 Feb 19;343(2-3):201-7.@@Froimowitz M, Cody V: Biologically active conformers of phenothiazines and thioxanthenes. Further evidence for a ligand model of dopamine D2 receptor antagonists. J Med Chem. 1993 Jul 23;36(15):2219-27.@@Froimowitz M, Cody V: The incorporation of butyrophenones and related compounds into a pharmacophore for dopamine D2 antagonists. Drug Des Discov. 1997 Aug;15(2):63-81.@@Lang AE, Sandor P, Duff J: Remoxipride in Parkinson's disease: differential response in patients with dyskinesias fluctuations versus psychosis. Clin Neuropharmacol. 1995 Feb;18(1):39-45.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	10991983	"Herrick-Davis K, Grinde E, Teitler M: Inverse agonist activity of atypical antipsychotic drugs at human 5-hydroxytryptamine2C receptors. J Pharmacol Exp Ther. 2000 Oct;295(1):226-32."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000476	HTR1E	P28566	5HT1E_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000650	HTR7	P34969	5HT7R_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000560	CHRM2	P08172	ACM2_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000045	CHRM3	P20309	ACM3_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000247	CHRM5	P08912	ACM5_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000581	DRD3	P35462	DRD3_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000442	HRH1	P35367	HRH1_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000112	HRH2	P25021	HRH2_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00408	Loxapine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Serotonin 5-HT2A Receptor Antagonists; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Miscellaneous Antipsychotics; Drugs causing inadvertant photosensitivity; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Dopamine Agents"	CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2					2310	46505047	D02340	PA450273		DAP000311	Loxapine	CHEMBL831	6475
DB00409	Remoxipride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11873706; 8665533; 11752352; 8405075	"Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Lang AE, Sandor P, Duff J: Remoxipride in Parkinson's disease: differential response in patients with dyskinesias fluctuations versus psychosis. Clin Neuropharmacol. 1995 Feb;18(1):39-45.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Mohell N, Sallemark M, Rosqvist S, Malmberg A, Hogberg T, Jackson DM: Binding characteristics of remoxipride and its metabolites to dopamine D2 and D3 receptors. Eur J Pharmacol. 1993 Jul 6;238(1):121-5. doi: 10.1016/0014-2999(93)90515-j."	Approved; Withdrawn	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	"Bromobenzoates; Amides; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC						46508689		PA164749051		DAP000312	Remoxipride	CHEMBL22242	35350
DB00409	Remoxipride	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	11325388; 8405075	"Christian AJ, Goodwin AK, Baker LE: Antagonism of the discriminative stimulus effects of (+)-7-OH-DPAT by remoxipride but not PNU-99194A. Pharmacol Biochem Behav. 2001 Mar;68(3):371-7.@@Mohell N, Sallemark M, Rosqvist S, Malmberg A, Hogberg T, Jackson DM: Binding characteristics of remoxipride and its metabolites to dopamine D2 and D3 receptors. Eur J Pharmacol. 1993 Jul 6;238(1):121-5. doi: 10.1016/0014-2999(93)90515-j."	Approved; Withdrawn	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	"Bromobenzoates; Amides; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC						46508689		PA164749051		DAP000312	Remoxipride	CHEMBL22242	35350
DB00411	Carbamoylcholine	BE0000560	CHRM2	P08172	ACM2_HUMAN	agonist	15485827; 15333678; 12948933; 12505062; 16181410	"Peter JC, Wallukat G, Tugler J, Maurice D, Roegel JC, Briand JP, Hoebeke J: Modulation of the M2 muscarinic acetylcholine receptor activity with monoclonal anti-M2 receptor antibody fragments. J Biol Chem. 2004 Dec 31;279(53):55697-706. Epub 2004 Oct 14.@@May LT, Lin Y, Sexton PM, Christopoulos A: Regulation of M2 muscarinic acetylcholine receptor expression and signaling by prolonged exposure to allosteric modulators. J Pharmacol Exp Ther. 2005 Jan;312(1):382-90. Epub 2004 Aug 27.@@Sawatzky DA, Kingham PJ, Durcan N, McLean WG, Costello RW: Eosinophil-induced release of acetylcholine from differentiated cholinergic nerve cells. Am J Physiol Lung Cell Mol Physiol. 2003 Dec;285(6):L1296-304. Epub 2003 Aug 29.@@Sterin-Borda L, Joensen L, Bayo-Hanza C, Esteva M, Borda E: Therapeutic use of muscarinic acetylcholine receptor peptide to prevent mice chagasic cardiac dysfunction. J Mol Cell Cardiol. 2002 Dec;34(12):1645-54.@@Zuchner T, Schliebs R, Perez-Polo JR: Down-regulation of muscarinic acetylcholine receptor M2 adversely affects the expression of Alzheimer's disease-relevant genes and proteins. J Neurochem. 2005 Oct;95(1):20-32."	Approved			"Nitrogen Compounds; Quaternary Ammonium Compounds; Sensory System Agents; Amines; Trimethyl Ammonium Compounds; Miotics; Protective Agents; Cholinergic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Alcohols; Antiglaucoma Preparations and Miotics; Choline Esters; Cardiotonic Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Onium Compounds; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Central Nervous System Agents; Neurotransmitter Agents; Ammonium Compounds; Ethanolamines; Nervous System; Sensory Organs"	C[N+](C)(C)CCOC(N)=O					9622	46509115	D00524	PA448784		DAP000347	Carbachol	CHEMBL965	1546387
DB00411	Carbamoylcholine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	agonist	17139284; 17016423; 20498043; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@An MC, Lin W, Yang J, Dominguez B, Padgett D, Sugiura Y, Aryal P, Gould TW, Oppenheim RW, Hester ME, Kaspar BK, Ko CP, Lee KF: Acetylcholine negatively regulates development of the neuromuscular junction through distinct cellular mechanisms. Proc Natl Acad Sci U S A. 2010 Jun 8;107(23):10702-7. doi: 10.1073/pnas.1004956107. Epub 2010 May 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved			"Nitrogen Compounds; Quaternary Ammonium Compounds; Sensory System Agents; Amines; Trimethyl Ammonium Compounds; Miotics; Protective Agents; Cholinergic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Alcohols; Antiglaucoma Preparations and Miotics; Choline Esters; Cardiotonic Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Onium Compounds; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Central Nervous System Agents; Neurotransmitter Agents; Ammonium Compounds; Ethanolamines; Nervous System; Sensory Organs"	C[N+](C)(C)CCOC(N)=O					9622	46509115	D00524	PA448784		DAP000347	Carbachol	CHEMBL965	1546387
DB00411	Carbamoylcholine	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	20466821	"Stewart GD, Sexton PM, Christopoulos A: Prediction of functionally selective allosteric interactions at an M3 muscarinic acetylcholine receptor mutant using Saccharomyces cerevisiae. Mol Pharmacol. 2010 Aug;78(2):205-14. doi: 10.1124/mol.110.064253. Epub 2010 May  13."	Approved			"Nitrogen Compounds; Quaternary Ammonium Compounds; Sensory System Agents; Amines; Trimethyl Ammonium Compounds; Miotics; Protective Agents; Cholinergic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Alcohols; Antiglaucoma Preparations and Miotics; Choline Esters; Cardiotonic Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Onium Compounds; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Central Nervous System Agents; Neurotransmitter Agents; Ammonium Compounds; Ethanolamines; Nervous System; Sensory Organs"	C[N+](C)(C)CCOC(N)=O					9622	46509115	D00524	PA448784		DAP000347	Carbachol	CHEMBL965	1546387
DB00412	Rosiglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	10475242; 10548525; 10707565; 10764590; 10871190; 11752352	"Su JL, Winegar DA, Wisely GB, Sigel CS, Hull-Ryde EA: Use of a PPAR gamma-specific monoclonal antibody to demonstrate thiazolidinediones induce PPAR gamma receptor expression in vitro. Hybridoma. 1999 Jun;18(3):273-80.@@Rieusset J, Auwerx J, Vidal H: Regulation of gene expression by activation of the peroxisome proliferator-activated receptor gamma with rosiglitazone (BRL 49653) in human adipocytes. Biochem Biophys Res Commun. 1999 Nov;265(1):265-71.@@Kameda N, Okuya S, Oka Y: [Rosiglitazone (BRL-49653)]. Nihon Rinsho. 2000 Feb;58(2):401-4.@@Johnson BA, Wilson EM, Li Y, Moller DE, Smith RG, Zhou G: Ligand-induced stabilization of PPARgamma monitored by NMR spectroscopy: implications for nuclear receptor activation. J Mol Biol. 2000 Apr 28;298(2):187-94.@@Camp HS, Li O, Wise SC, Hong YH, Frankowski CL, Shen X, Vanbogelen R, Leff T: Differential activation of peroxisome proliferator-activated receptor-gamma by troglitazone and rosiglitazone. Diabetes. 2000 Apr;49(4):539-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1		Rosiglitazone Metabolism Pathway	drug_metabolism		11925	46504556	D00596	PA451283		DAP000271	Rosiglitazone	CHEMBL121	84108
DB00412	Rosiglitazone	BE0000996	ACSL4	O60488	ACSL4_HUMAN	inhibitor	17259370	"Askari B, Kanter JE, Sherrid AM, Golej DL, Bender AT, Liu J, Hsueh WA, Beavo JA, Coleman RA, Bornfeldt KE: Rosiglitazone inhibits acyl-CoA synthetase activity and fatty acid partitioning to diacylglycerol and triacylglycerol via a peroxisome proliferator-activated receptor-gamma-independent mechanism in human arterial smooth muscle cells and macrophages. Diabetes. 2007 Apr;56(4):1143-52. Epub 2007 Jan 26."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1		Rosiglitazone Metabolism Pathway	drug_metabolism		11925	46504556	D00596	PA451283		DAP000271	Rosiglitazone	CHEMBL121	84108
DB00412	Rosiglitazone	BE0000071	PPARA	Q07869	PPARA_HUMAN		11779144; 15949695	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9.@@Drevon CA: Fatty acids and expression of adipokines. Biochim Biophys Acta. 2005 May 30;1740(2):287-92. Epub 2004 Dec 8."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1		Rosiglitazone Metabolism Pathway	drug_metabolism		11925	46504556	D00596	PA451283		DAP000271	Rosiglitazone	CHEMBL121	84108
DB00412	Rosiglitazone	BE0001007	PPARD	Q03181	PPARD_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1		Rosiglitazone Metabolism Pathway	drug_metabolism		11925	46504556	D00596	PA451283		DAP000271	Rosiglitazone	CHEMBL121	84108
DB00412	Rosiglitazone	BE0000412	RXRA	P19793	RXRA_HUMAN		23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1		Rosiglitazone Metabolism Pathway	drug_metabolism		11925	46504556	D00596	PA451283		DAP000271	Rosiglitazone	CHEMBL121	84108
DB00413	Pramipexole	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18248314; 9617505; 22023785; 9638397	"Merlino G, Serafini A, Robiony F, Valente M, Gigli GL: Clinical experience with pramipexole in the treatment of restless legs syndrome. Expert Opin Drug Metab Toxicol. 2008 Feb;4(2):225-35. doi: 10.1517/17425255.4.2.225.@@Piercey MF: Pharmacology of pramipexole, a dopamine D3-preferring agonist useful in treating Parkinson's disease. Clin Neuropharmacol. 1998 May-Jun;21(3):141-51.@@Chernoloz O, El Mansari M, Blier P: Long-term administration of the dopamine D3/2 receptor agonist pramipexole increases dopamine and serotonin neurotransmission in the male rat forebrain. J Psychiatry Neurosci. 2012 Feb;37(2):113-21. doi: 10.1503/jpn.110038.@@Dooley M, Markham A: Pramipexole. A review of its use in the management of early and advanced Parkinson's disease. Drugs Aging. 1998 Jun;12(6):495-514. doi: 10.2165/00002512-199812060-00007."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Nonergot-derivative Dopamine Receptor Agonists; Antioxidants; Benzothiazoles; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Thiazoles; Drugs that are Mainly Renally Excreted; Biological Factors; Anti-Parkinson Drugs; Heterocyclic Compounds, Fused-Ring; Restless Legs Syndrome; Dopamine Agonists; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents; Anti-Dyskinesia Agents"	CCCN[C@H]1CCC2=C(C1)SC(N)=N2					11733	46505897	D00559	PA164742949		DAP000019	Pramipexole	CHEMBL301265	746741
DB00413	Pramipexole	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	9617505; 22023785; 9638397	"Piercey MF: Pharmacology of pramipexole, a dopamine D3-preferring agonist useful in treating Parkinson's disease. Clin Neuropharmacol. 1998 May-Jun;21(3):141-51.@@Chernoloz O, El Mansari M, Blier P: Long-term administration of the dopamine D3/2 receptor agonist pramipexole increases dopamine and serotonin neurotransmission in the male rat forebrain. J Psychiatry Neurosci. 2012 Feb;37(2):113-21. doi: 10.1503/jpn.110038.@@Dooley M, Markham A: Pramipexole. A review of its use in the management of early and advanced Parkinson's disease. Drugs Aging. 1998 Jun;12(6):495-514. doi: 10.2165/00002512-199812060-00007."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Nonergot-derivative Dopamine Receptor Agonists; Antioxidants; Benzothiazoles; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Thiazoles; Drugs that are Mainly Renally Excreted; Biological Factors; Anti-Parkinson Drugs; Heterocyclic Compounds, Fused-Ring; Restless Legs Syndrome; Dopamine Agonists; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents; Anti-Dyskinesia Agents"	CCCN[C@H]1CCC2=C(C1)SC(N)=N2					11733	46505897	D00559	PA164742949		DAP000019	Pramipexole	CHEMBL301265	746741
DB00415	Ampicillin	BE0001018	SLC15A1	P46059	S15A1_HUMAN		15567297	"Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24."	Approved; Vet_approved	Penicillins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Ophthalmologicals; Aminopenicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillin G; Penicillins; Penicillins With Extended Spectrum; Antiinfectives for Systemic Use; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O					8448	46505346	D00204	PA448419		DAP000432	Ampicillin	CHEMBL174	221058
DB00415	Ampicillin	BE0001134	SLC15A2	Q16348	S15A2_HUMAN		21741846	"Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub  2011 Jun 16."	Approved; Vet_approved	Penicillins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Ophthalmologicals; Aminopenicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillin G; Penicillins; Penicillins With Extended Spectrum; Antiinfectives for Systemic Use; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O					8448	46505346	D00204	PA448419		DAP000432	Ampicillin	CHEMBL174	221058
DB00415	Ampicillin	BE0003379	TEK	Q02763	TIE2_HUMAN		22406116	"Gong XW, Mai JH, Xu YH: Discovery of loperamide as an antagonist of angiopoietin1 and angiopoietin2 by virtual screening. Bioorg Med Chem Lett. 2012 Apr 1;22(7):2388-92. doi: 10.1016/j.bmcl.2012.02.036.  Epub 2012 Feb 22."	Approved; Vet_approved	Penicillins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Ophthalmologicals; Aminopenicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillin G; Penicillins; Penicillins With Extended Spectrum; Antiinfectives for Systemic Use; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O					8448	46505346	D00204	PA448419		DAP000432	Ampicillin	CHEMBL174	221058
DB00416	Metocurine iodide	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 18633030; 6107062; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Iwatsuki N, Hashimoto Y, Amaha K, Obara S, Iwatsuki K: Inotropic effects of non-depolarizing muscle relaxants in isolated canine heart muscle. Anesth Analg. 1980 Oct;59(10):717-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Benzylisoquinolines; Anticholinergic Agents; Quaternary Ammonium Compounds; Neuromuscular Agents; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Alkaloids; Tetrahydroisoquinolines; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3					2094	46507773	D00761	PA164749507		DAP000824	Metocurine_Iodide	CHEMBL1739	203206
DB00417	Phenoxymethylpenicillin	BE0001018	SLC15A1	P46059	S15A1_HUMAN		15974593	"Biegel A, Gebauer S, Hartrodt B, Brandsch M, Neubert K, Thondorf I: Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. J Med Chem. 2005 Jun 30;48(13):4410-9."	Approved; Vet_approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Aza Compounds; beta-Lactams; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Beta-Lactamase Sensitive Penicillins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Penicillin G; Natural Penicillins; Penicillins; Antiinfectives for Systemic Use; Azabicyclo Compounds"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O					8410	46507164	D05411	PA164745442		DAP001165	Phenoxymethylpenicillin	CHEMBL615	7984
DB00418	Secobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00418	Secobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; GABA Modulators; Cytochrome P-450 CYP2C8 Inducers (strong); Barbiturates; Pyrimidinones; Adjuvants, Anesthesia; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O					8237	46508708	D00430	PA164784035		DAP000674	Secobarbital	CHEMBL447	9624
DB00419	Miglustat	BE0000477	UGCG	Q16739	CEGT_HUMAN	inhibitor	12803929; 16247743; 17603755; 17624027; 18728838; 19956552; 18221193; 14609352; 16627252; 11752352	"Moyses C: Substrate reduction therapy: clinical evaluation in type 1 Gaucher disease. Philos Trans R Soc Lond B Biol Sci. 2003 May 29;358(1433):955-60.@@Weinreb NJ, Barranger JA, Charrow J, Grabowski GA, Mankin HJ, Mistry P: Guidance on the use of miglustat for treating patients with type 1 Gaucher disease. Am J Hematol. 2005 Nov;80(3):223-9.@@Chien YH, Lee NC, Tsai LK, Huang AC, Peng SF, Chen SJ, Hwu WL: Treatment of Niemann-Pick disease type C in two children with miglustat: initial responses and maintenance of effects over 1 year. J Inherit Metab Dis. 2007 Oct;30(5):826. Epub 2007 Jun 21.@@Treiber A, Morand O, Clozel M: The pharmacokinetics and tissue distribution of the glucosylceramide synthase inhibitor miglustat in the rat. Xenobiotica. 2007 Mar;37(3):298-314.@@Ficicioglu C: Review of miglustat for clinical management in Gaucher disease type 1. Ther Clin Risk Manag. 2008 Apr;4(2):425-31.@@Wraith JE, Imrie J: New therapies in the management of Niemann-Pick type C disease: clinical utility of miglustat. Ther Clin Risk Manag. 2009;5:877-87. Epub 2009 Nov 18.@@Pastores GM: Miglustat: substrate reduction therapy for lysosomal storage disorders associated with primary central nervous system involvement. Recent Pat CNS Drug Discov. 2006 Jan;1(1):77-82.@@McCormack PL, Goa KL: Miglustat. Drugs. 2003;63(22):2427-34; discussion 2435-6.@@Giraldo P, Latre P, Alfonso P, Acedo A, Alonso D, Barez A, Corrales A, Franco R, Roldan V, Serrano S, Pocovi M: Short-term effect of miglustat in every day clinical use in treatment-naive or previously treated patients with type 1 Gaucher's disease. Haematologica. 2006 May;91(5):703-6. Epub 2006 Apr 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Imino Pyranoses; Anti-Infective Agents; Piperidines; Glucosylceramide Synthase Inhibitor; Enzyme Stabilizer; Glycoside Hydrolase Inhibitors; Enzyme Inhibitors; Carbohydrates; Imines; Glucosylceramide Synthase Inhibitors; Alkaloids; Anti-HIV Agents; Gaucher Disease; Other Miscellaneous Therapeutic Agents; Various Alimentary Tract and Metabolism Products; Alimentary Tract and Metabolism; Imino Sugars	CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO					13313	46506350	D05032	PA10140		DAP000609	Miglustat	CHEMBL1029	402316
DB00420	Promazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	18471899; 19110200	"Strange PG: Antipsychotic drug action: antagonism, inverse agonism or partial agonism. Trends Pharmacol Sci. 2008 Jun;29(6):314-21. doi: 10.1016/j.tips.2008.03.009. Epub 2008 May 28.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12					8033	46504504	D08430	PA451126		DAP000430	Promazine	CHEMBL564	8742
DB00420	Promazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	19110200	"Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12					8033	46504504	D08430	PA451126		DAP000430	Promazine	CHEMBL564	8742
DB00420	Promazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	19110200; 22565090	"Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Leung JY, Barr AM, Procyshyn RM, Honer WG, Pang CC: Cardiovascular side-effects of antipsychotic drugs: the role of the autonomic nervous system. Pharmacol Ther. 2012 Aug;135(2):113-22. doi: 10.1016/j.pharmthera.2012.04.003. Epub 2012 Apr 27."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12					8033	46504504	D08430	PA451126		DAP000430	Promazine	CHEMBL564	8742
DB00420	Promazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2899826; 19110200	"Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Amino Acids, Branched-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12					8033	46504504	D08430	PA451126		DAP000430	Promazine	CHEMBL564	8742
DB00421	Spironolactone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	11791081; 14664717; 14978157; 15128471; 15554912; 11752352; 15947888; 15808807	"Sitruk-Ware R: Progestogens in hormonal replacement therapy: new molecules, risks, and benefits. Menopause. 2002 Jan-Feb;9(1):6-15.@@Rogerson FM, Yao YZ, Smith BJ, Dimopoulos N, Fuller PJ: Determinants of spironolactone binding specificity in the mineralocorticoid receptor. J Mol Endocrinol. 2003 Dec;31(3):573-82.@@Gertner RA, Klein JD, Bailey JL, Kim DU, Luo XH, Bagnasco SM, Sands JM: Aldosterone decreases UT-A1 urea transporter expression via the mineralocorticoid receptor. J Am Soc Nephrol. 2004 Mar;15(3):558-65.@@Frishman WH, Stier CT Jr: Aldosterone and aldosterone antagonism in systemic hypertension. Curr Hypertens Rep. 2004 Jun;6(3):195-200.@@Rogerson FM, Yao Y, Smith BJ, Fuller PJ: Differences in the determinants of eplerenone, spironolactone and aldosterone binding to the mineralocorticoid receptor. Clin Exp Pharmacol Physiol. 2004 Oct;31(10):704-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sica DA: Pharmacokinetics and pharmacodynamics of mineralocorticoid blocking agents and their effects on potassium homeostasis. Heart Fail Rev. 2005 Jan;10(1):23-9. doi: 10.1007/s10741-005-2345-1.@@Rossi G, Boscaro M, Ronconi V, Funder JW: Aldosterone as a cardiovascular risk factor. Trends Endocrinol Metab. 2005 Apr;16(3):104-7."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00421	Spironolactone	BE0000794	NR3C1	P04150	GCR_HUMAN	antagonist	20650892; 14664717	"Fagart J, Hillisch A, Huyet J, Barfacker L, Fay M, Pleiss U, Pook E, Schafer S, Rafestin-Oblin ME, Kolkhof P: A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal molecule. J Biol Chem. 2010 Sep 24;285(39):29932-40. doi: 10.1074/jbc.M110.131342. Epub 2010 Jul 22.@@Rogerson FM, Yao YZ, Smith BJ, Dimopoulos N, Fuller PJ: Determinants of spironolactone binding specificity in the mineralocorticoid receptor. J Mol Endocrinol. 2003 Dec;31(3):573-82."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00421	Spironolactone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	20650892; 6849751	"Fagart J, Hillisch A, Huyet J, Barfacker L, Fay M, Pleiss U, Pook E, Schafer S, Rafestin-Oblin ME, Kolkhof P: A new mode of mineralocorticoid receptor antagonism by a potent and selective nonsteroidal molecule. J Biol Chem. 2010 Sep 24;285(39):29932-40. doi: 10.1074/jbc.M110.131342. Epub 2010 Jul 22.@@Fernandez MD, Carter GD, Palmer TN: The interaction of canrenone with oestrogen and progesterone receptors in human uterine cytosol. Br J Clin Pharmacol. 1983 Jan;15(1):95-101. doi: 10.1111/j.1365-2125.1983.tb01470.x."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00421	Spironolactone	BE0010245	ESR1	Q92731	ESR2_HUMAN	agonist	6849751; 7391714	"Fernandez MD, Carter GD, Palmer TN: The interaction of canrenone with oestrogen and progesterone receptors in human uterine cytosol. Br J Clin Pharmacol. 1983 Jan;15(1):95-101. doi: 10.1111/j.1365-2125.1983.tb01470.x.@@Levy J, Burshell A, Marbach M, Afllalo L, Glick SM: Interaction of spironolactone with oestradiol receptors in cytosol. J Endocrinol. 1980 Mar;84(3):371-9. doi: 10.1677/joe.0.0840371."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00421	Spironolactone	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00421	Spironolactone	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	10942165; 3427267; 2162139	"Sorrentino R, Autore G, Cirino G, d'Emmanuele de Villa Bianca R, Calignano A, Vanasia M, Alfieri C, Sorrentino L, Pinto A: Effect of spironolactone and its metabolites on contractile property of isolated rat aorta rings. J Cardiovasc Pharmacol. 2000 Aug;36(2):230-5.@@Dacquet C, Loirand G, Mironneau C, Mironneau J, Pacaud P: Spironolactone inhibition of contraction and calcium channels in rat portal vein. Br J Pharmacol. 1987 Nov;92(3):535-44. doi: 10.1111/j.1476-5381.1987.tb11354.x.@@Mironneau J: Calcium channel antagonist effects of spironolactone, an aldosterone antagonist. Am J Cardiol. 1990 Jun 19;65(23):7K-8K; discussion 3K. doi: 10.1016/0002-9149(90)91267-a."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; P-glycoprotein inducers; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Steroids; Fused-Ring Compounds; Potassium-Sparing Diuretics; Diuretics; Lactones; BSEP/ABCB11 Substrates; Natriuretic Agents; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O		Spironolactone Action Pathway	drug_action		7408	46508525	D00443	PA451483		DAP000297	Spironolactone	CHEMBL1393	9997
DB00422	Methylphenidate	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10025684; 10037500; 10199939; 10403500; 10414438; 11752352; 9537821; 15303308; 18698001; 17201613; 16806100	"Volkow ND, Fowler JS, Gatley SJ, Dewey SL, Wang GJ, Logan J, Ding YS, Franceschi D, Gifford A, Morgan A, Pappas N, King P: Comparable changes in synaptic dopamine induced by methylphenidate and by cocaine in the baboon brain. Synapse. 1999 Jan;31(1):59-66.@@Wayment HK, Deutsch H, Schweri MM, Schenk JO: Effects of methylphenidate analogues on phenethylamine substrates for the striatal dopamine transporter: potential as amphetamine antagonists? J Neurochem. 1999 Mar;72(3):1266-74.@@Dresel SH, Kung MP, Huang X, Plossl K, Hou C, Shiue CY, Karp J, Kung HF: In vivo imaging of serotonin transporters with [99mTc]TRODAT-1 in nonhuman primates. Eur J Nucl Med. 1999 Apr;26(4):342-7.@@Volkow ND, Wang GJ, Fowler JS, Fischman M, Foltin R, Abumrad NN, Gatley SJ, Logan J, Wong C, Gifford A, Ding YS, Hitzemann R, Pappas N: Methylphenidate and cocaine have a similar in vivo potency to block dopamine transporters in the human brain. Life Sci. 1999;65(1):PL7-12.@@Izenwasser S, Coy AE, Ladenheim B, Loeloff RJ, Cadet JL, French D: Chronic methylphenidate alters locomotor activity and dopamine transporters differently from cocaine. Eur J Pharmacol. 1999 Jun 4;373(2-3):187-93.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Viggiano D, Vallone D, Sadile A: Dysfunctions in dopamine systems and ADHD: evidence from animals and modeling. Neural Plast. 2004;11(1-2):97-114.@@Tilley MR, Gu HH: The effects of methylphenidate on knockin mice with a methylphenidate-resistant dopamine transporter. J Pharmacol Exp Ther. 2008 Nov;327(2):554-60. doi: 10.1124/jpet.108.141713. Epub  2008 Aug 12.@@Markowitz JS, DeVane CL, Pestreich LK, Patrick KS, Muniz R: A comprehensive in vitro screening of d-, l-, and dl-threo-methylphenidate: an exploratory study. J Child Adolesc Psychopharmacol. 2006 Dec;16(6):687-98.@@Berridge CW, Devilbiss DM, Andrzejewski ME, Arnsten AF, Kelley AE, Schmeichel B, Hamilton C, Spencer RC: Methylphenidate preferentially increases catecholamine neurotransmission within the prefrontal cortex at low doses that enhance cognitive function. Biol Psychiatry. 2006 Nov 15;60(10):1111-20. doi: 10.1016/j.biopsych.2006.04.022. Epub 2006 Jun 23."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Respiratory and CNS Stimulants; Methylphenidate and isomer; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulation; Central Nervous System Stimulants; Phenylacetates; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Acids, Carbocyclic; Agents that produce hypertension; Centrally Acting Sympathomimetics; Piperidines; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents"	COC(=O)C(C1CCCCN1)C1=CC=CC=C1					6186	46505929	D04999	PA10054		DAP000024	Methylphenidate	CHEMBL796	6901
DB00422	Methylphenidate	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	15322419; 17218796; 16246598; 17611273; 11160413; 9537821; 18698001; 17201613; 16806100	"Yang L, Wang YF, Li J, Faraone SV: Association of norepinephrine transporter gene with methylphenidate response. J Am Acad Child Adolesc Psychiatry. 2004 Sep;43(9):1154-8.@@Williard RL, Middaugh LD, Zhu HJ, Patrick KS: Methylphenidate and its ethanol transesterification metabolite ethylphenidate: brain disposition, monoamine transporters and motor activity. Behav Pharmacol. 2007 Feb;18(1):39-51.@@Chuhan YS, Taukulis HK: Impairment of single-trial memory formation by oral methylphenidate in the rat. Neurobiol Learn Mem. 2006 Mar;85(2):125-31. Epub 2005 Oct 24.@@Gray JD, Punsoni M, Tabori NE, Melton JT, Fanslow V, Ward MJ, Zupan B, Menzer D, Rice J, Drake CT, Romeo RD, Brake WG, Torres-Reveron A, Milner TA: Methylphenidate administration to juvenile rats alters brain areas involved in cognition, motivated behaviors, appetite, and stress. J Neurosci. 2007 Jul 4;27(27):7196-207.@@Sandoval V, Riddle EL, Ugarte YV, Hanson GR, Fleckenstein AE: Methamphetamine-induced rapid and reversible changes in dopamine transporter function: an in vitro model. J Neurosci. 2001 Feb 15;21(4):1413-9.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Tilley MR, Gu HH: The effects of methylphenidate on knockin mice with a methylphenidate-resistant dopamine transporter. J Pharmacol Exp Ther. 2008 Nov;327(2):554-60. doi: 10.1124/jpet.108.141713. Epub  2008 Aug 12.@@Markowitz JS, DeVane CL, Pestreich LK, Patrick KS, Muniz R: A comprehensive in vitro screening of d-, l-, and dl-threo-methylphenidate: an exploratory study. J Child Adolesc Psychopharmacol. 2006 Dec;16(6):687-98.@@Berridge CW, Devilbiss DM, Andrzejewski ME, Arnsten AF, Kelley AE, Schmeichel B, Hamilton C, Spencer RC: Methylphenidate preferentially increases catecholamine neurotransmission within the prefrontal cortex at low doses that enhance cognitive function. Biol Psychiatry. 2006 Nov 15;60(10):1111-20. doi: 10.1016/j.biopsych.2006.04.022. Epub 2006 Jun 23."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Respiratory and CNS Stimulants; Methylphenidate and isomer; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulation; Central Nervous System Stimulants; Phenylacetates; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Acids, Carbocyclic; Agents that produce hypertension; Centrally Acting Sympathomimetics; Piperidines; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents"	COC(=O)C(C1CCCCN1)C1=CC=CC=C1					6186	46505929	D04999	PA10054		DAP000024	Methylphenidate	CHEMBL796	6901
DB00423	Methocarbamol	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	1460006	"Parr JS, Khalifah RG: Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50."	Approved; Vet_approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Methyl Ethers; Central Nervous System Agents; Catechols; Central Nervous System Depressants; Muscle Relaxants; Phenols; Phenyl Ethers; Carbamates; Phenylcarbamates; Ethers; Acids, Acyclic; Benzene Derivatives; Peripheral Nervous System Agents; Centrally-mediated Muscle Relaxation; Carbamic Acid Esters"	COC1=C(OCC(O)COC(N)=O)C=CC=C1					6340	46507761	D00402	PA164749506			Methocarbamol	CHEMBL1201117	6845
DB00424	Hyoscyamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 11495349	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lysikova M, Havlas Z, Tucek S: Interactions between allosteric modulators and 4-DAMP and other antagonists at muscarinic receptors: potential significance of the distance between the N and carboxyl C atoms in the molecules of antagonists. Neurochem Res. 2001 Apr;26(4):383-94."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1					8978	46507345	D00147	PA164776844		DNC000758	Hyoscyamine	CHEMBL1331216	153970
DB00424	Hyoscyamine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11495349	"Lysikova M, Havlas Z, Tucek S: Interactions between allosteric modulators and 4-DAMP and other antagonists at muscarinic receptors: potential significance of the distance between the N and carboxyl C atoms in the molecules of antagonists. Neurochem Res. 2001 Apr;26(4):383-94."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1					8978	46507345	D00147	PA164776844		DNC000758	Hyoscyamine	CHEMBL1331216	153970
DB00424	Hyoscyamine	BE0000269	ADCY1	Q08828	ADCY1_HUMAN	inhibitor	12108922	"Ricny J, Gualtieri F, Tucek S: Constitutive inhibitory action of muscarinic receptors on adenylyl cyclase in cardiac membranes and its stereospecific suppression by hyoscyamine. Physiol Res. 2002;51(2):131-7."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Mydriatics; Respiratory System Agents; Atropine Derivatives; Peripheral Nervous System Agents; Belladonna Alkaloids; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Tertiary Amines"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1					8978	46507345	D00147	PA164776844		DNC000758	Hyoscyamine	CHEMBL1331216	153970
DB00425	Zolpidem	BE0000381	GABRA2	P47869	GBRA2_HUMAN	agonist	2157817; 11306694; 19345234; 11090095; 21353710	"Pritchett DB, Seeburg PH: Gamma-aminobutyric acidA receptor alpha 5-subunit creates novel type II benzodiazepine receptor pharmacology. J Neurochem. 1990 May;54(5):1802-4.@@Smith AJ, Alder L, Silk J, Adkins C, Fletcher AE, Scales T, Kerby J, Marshall G, Wafford KA, McKernan RM, Atack JR: Effect of alpha subunit on allosteric modulation of ion channel function in stably expressed human recombinant gamma-aminobutyric acid(A) receptors determined using (36)Cl ion flux. Mol Pharmacol. 2001 May;59(5):1108-18.@@Vlainic J, Pericic D: Effects of acute and repeated zolpidem treatment on pentylenetetrazole-induced seizure threshold and on locomotor activity: comparison with diazepam. Neuropharmacology. 2009 Jun;56(8):1124-30. doi: 10.1016/j.neuropharm.2009.03.010. Epub 2009 Apr 1.@@Crestani F, Martin JR, Mohler H, Rudolph U: Mechanism of action of the hypnotic zolpidem in vivo. Br J Pharmacol. 2000 Dec;131(7):1251-4. doi: 10.1038/sj.bjp.0703717.@@Tan KR, Rudolph U, Luscher C: Hooked on benzodiazepines: GABAA receptor subtypes and addiction. Trends Neurosci. 2011 Apr;34(4):188-97. doi: 10.1016/j.tins.2011.01.004. Epub 2011 Feb 25."	Approved	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"GABA Agonists; Central Nervous System Depression; Cytochrome P-450 CYP3A Substrates; Pyridines; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; gamma-Aminobutyric Acid A Receptor Positive Modulator; Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP1A2 Substrates; gamma-Aminobutyric Acid-ergic Agonist"	CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1					933	46507949		PA451976		DAP000112	Zolpidem	CHEMBL911	39993
DB00425	Zolpidem	BE0000523	GABRA3	P34903	GBRA3_HUMAN	agonist	2157817; 11306694; 19345234; 11090095; 21353710	"Pritchett DB, Seeburg PH: Gamma-aminobutyric acidA receptor alpha 5-subunit creates novel type II benzodiazepine receptor pharmacology. J Neurochem. 1990 May;54(5):1802-4.@@Smith AJ, Alder L, Silk J, Adkins C, Fletcher AE, Scales T, Kerby J, Marshall G, Wafford KA, McKernan RM, Atack JR: Effect of alpha subunit on allosteric modulation of ion channel function in stably expressed human recombinant gamma-aminobutyric acid(A) receptors determined using (36)Cl ion flux. Mol Pharmacol. 2001 May;59(5):1108-18.@@Vlainic J, Pericic D: Effects of acute and repeated zolpidem treatment on pentylenetetrazole-induced seizure threshold and on locomotor activity: comparison with diazepam. Neuropharmacology. 2009 Jun;56(8):1124-30. doi: 10.1016/j.neuropharm.2009.03.010. Epub 2009 Apr 1.@@Crestani F, Martin JR, Mohler H, Rudolph U: Mechanism of action of the hypnotic zolpidem in vivo. Br J Pharmacol. 2000 Dec;131(7):1251-4. doi: 10.1038/sj.bjp.0703717.@@Tan KR, Rudolph U, Luscher C: Hooked on benzodiazepines: GABAA receptor subtypes and addiction. Trends Neurosci. 2011 Apr;34(4):188-97. doi: 10.1016/j.tins.2011.01.004. Epub 2011 Feb 25."	Approved	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"GABA Agonists; Central Nervous System Depression; Cytochrome P-450 CYP3A Substrates; Pyridines; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; gamma-Aminobutyric Acid A Receptor Positive Modulator; Nervous System; GABA-A Receptor Agonists; Cytochrome P-450 CYP1A2 Substrates; gamma-Aminobutyric Acid-ergic Agonist"	CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1					933	46507949		PA451976		DAP000112	Zolpidem	CHEMBL911	39993
DB00427	Triprolidine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7214150; 3011460; 10493107; 8907591; 7853212; 10582735; 2568212; 7913608; 2866055; 11752352	"Peroutka SJ, Snyder SH: Two distinct serotonin receptors: regional variations in receptor binding in mammalian brain. Brain Res. 1981 Mar 16;208(2):339-47.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Kuzmin AI, Zaretsky DV, Kalenikova EI, Zaretskaja MV, Medvedev OS, Chazov EI: The effect of histamine receptor antagonists on stress-induced catecholamine secretion: an adrenomedullary microdialysis study in the rat. Eur J Pharmacol. 1999 Aug 13;378(3):311-6.@@Ziganshina LE, Ziganshin AU, Hoyle CH, Burnstock G: Acute paw oedema formation induced by ATP: re-evaluation of the mechanisms involved. Inflamm Res. 1996 Feb;45(2):96-102.@@Hiroi T, Ohishi N, Imaoka S, Yabusaki Y, Fukui H, Funae Y: Mepyramine, a histamine H1 receptor antagonist, inhibits the metabolic activity of rat and human P450 2D forms. J Pharmacol Exp Ther. 1995 Feb;272(2):939-44.@@Estelle F, Simons R: H1-receptor antagonists: safety issues. Ann Allergy Asthma Immunol. 1999 Nov;83(5):481-8.@@Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44.@@Simons FE: H1-receptor antagonists. Comparative tolerability and safety. Drug Saf. 1994 May;10(5):350-80.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Styrenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes	Potential QTc-Prolonging Agents; Anti-Allergic Agents; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Pyridines	CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1		Triprolidine H1-Antihistamine Action	drug_action		6494	46505403	D01782	PA451797		DAP001065	Triprolidine	CHEMBL855	10849
DB00431	Lindane	BE0002344	GABRB1	P18505	GBRB1_HUMAN	antagonist	17139284; 17016423; 7885191; 12645305; 9530529; 7566682; 14635176; 8841090; 10592235; 12614680; 20600211	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Cole LM, Roush RT, Casida JE: Drosophila GABA-gated chloride channel: modified [3H]EBOB binding site associated with Ala-->Ser or Gly mutants of Rdl subunit. Life Sci. 1995;56(10):757-65.@@Sauviat MP, Pages N: [Cardiotoxicity of lindane, a gamma isomer of hexachlorocyclohexane]. J Soc Biol. 2002;196(4):339-48.@@Anand M, Agrawal AK, Rehmani BN, Gupta GS, Rana MD, Seth PK: Role of GABA receptor complex in low dose lindane (HCH) induced neurotoxicity: neurobehavioural, neurochemical and electrophysiological studies. Drug Chem Toxicol. 1998 Feb;21(1):35-46.@@Joy RM, Walby WF, Stark LG, Albertson TE: Lindane blocks GABAA-mediated inhibition and modulates pyramidal cell excitability in the rat hippocampal slice. Neurotoxicology. 1995 Summer;16(2):217-28.@@Bloomquist JR: Chloride channels as tools for developing selective insecticides. Arch Insect Biochem Physiol. 2003 Dec;54(4):145-56.@@Narahashi T: Neuronal ion channels as the target sites of insecticides. Pharmacol Toxicol. 1996 Jul;79(1):1-14.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013.  Epub 2010 Jun 21."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	antagonist	12614680; 20600211	"Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013.  Epub 2010 Jun 21."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000745	GLRA2	P23416	GLRA2_HUMAN	antagonist	12614680; 20600211	"Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013.  Epub 2010 Jun 21."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000414	GLRA3	O75311	GLRA3_HUMAN	antagonist	12614680; 20600211	"Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013.  Epub 2010 Jun 21."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000055	GLRB	P48167	GLRB_HUMAN	antagonist	12614680; 20600211	"Vale C, Fonfria E, Bujons J, Messeguer A, Rodriguez-Farre E, Sunol C: The organochlorine pesticides gamma-hexachlorocyclohexane (lindane), alpha-endosulfan and dieldrin differentially interact with GABA(A) and glycine-gated chloride channels in primary cultures of cerebellar granule cells. Neuroscience. 2003;117(2):397-403.@@Heusinkveld HJ, Thomas GO, Lamot I, van den Berg M, Kroese AB, Westerink RH: Dual actions of lindane (gamma-hexachlorocyclohexane) on calcium homeostasis and exocytosis in rat PC12 cells. Toxicol Appl Pharmacol. 2010 Oct 1;248(1):12-9. doi: 10.1016/j.taap.2010.06.013.  Epub 2010 Jun 21."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0002345	GABRB3	P28472	GBRB3_HUMAN		11489356; 16537435	"Ratra GS, Casida JE: GABA receptor subunit composition relative to insecticide potency and selectivity. Toxicol Lett. 2001 Jul 6;122(3):215-22.@@Chen L, Durkin KA, Casida JE: Structural model for gamma-aminobutyric acid receptor noncompetitive antagonist binding: widely diverse structures fit the same site. Proc Natl Acad Sci U S A. 2006 Mar 28;103(13):5185-90. Epub 2006 Mar 10."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000557	PGR	P06401	PRGR_HUMAN		14579009	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000123	ESR1	P03372	ESR1_HUMAN		14579009; 15253041	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25.@@Okubo T, Yokoyama Y, Kano K, Soya Y, Kano I: Estimation of estrogenic and antiestrogenic activities of selected pesticides by MCF-7 cell proliferation assay. Arch Environ Contam Toxicol. 2004 May;46(4):445-53."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00431	Lindane	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Withdrawn	Cyclohexyl halides	Organic compounds; Organohalogen compounds; Alkyl halides; Cyclohexyl halides	"Hydrocarbons, Halogenated; Agents that reduce seizure threshold; Antiparasitic Products, Insecticides and Repellents; Pesticides; Agrochemicals; Chlorine Containing Products; Ectoparasiticides, Incl. Scabicides; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Hydrocarbons, Chlorinated; Insecticides; Compounds used in a research, industrial, or household setting"	Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl					6327	46508542	D00360	PA164754914		DAP001036	Lindane	CHEMBL15891	1388
DB00433	Prochlorperazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 16677982; 2527092; 17044574; 18534808; 18955042; 17169748	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Roberge RJ: Antiemetic-related dystonic reaction unmasked by removal of a scopolamine transdermal patch. J Emerg Med. 2006 Apr;30(3):299-302.@@Hamik A, Peroutka SJ: Differential interactions of traditional and novel antiemetics with dopamine D2 and 5-hydroxytryptamine3 receptors. Cancer Chemother Pharmacol. 1989;24(5):307-10.@@Vinson DR: Development of a simplified instrument for the diagnosis and grading of akathisia in a cohort of patients receiving prochlorperazine. J Emerg Med. 2006 Aug;31(2):139-45.@@Callan JE, Kostic MA, Bachrach EA, Rieg TS: Prochlorperazine vs. promethazine for headache treatment in the emergency department: a randomized controlled trial. J Emerg Med. 2008 Oct;35(3):247-53. doi: 10.1016/j.jemermed.2007.09.047. Epub 2008 Jun 5.@@Narita M, Takei D, Shiokawa M, Tsurukawa Y, Matsushima Y, Nakamura A, Takagi S, Asato M, Ikegami D, Narita M, Amano T, Niikura K, Hashimoto K, Kuzumaki N, Suzuki T: Suppression of dopamine-related side effects of morphine by aripiprazole, a dopamine system stabilizer. Eur J Pharmacol. 2008 Dec 14;600(1-3):105-9. doi: 10.1016/j.ejphar.2008.10.030. Epub 2008 Oct 21.@@Golembiewski J, Tokumaru S: Pharmacological prophylaxis and management of adult postoperative/postdischarge nausea and vomiting. J Perianesth Nurs. 2006 Dec;21(6):385-97."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Schizophrenia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1					7990	46509018	D00493	PA451114		DAP000373	Prochlorperazine	CHEMBL728	8704
DB00433	Prochlorperazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	1768559	"Isah AO, Rawlins MD, Bateman DN: Clinical pharmacology of prochlorperazine in healthy young males. Br J Clin Pharmacol. 1991 Dec;32(6):677-84."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Neurotoxic agents; Schizophrenia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1					7990	46509018	D00493	PA451114		DAP000373	Prochlorperazine	CHEMBL728	8704
DB00434	Cyproheptadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 2866055	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00434	Cyproheptadine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	12498911	"Honda M, Nishida T, Ono H: Tricyclic analogs cyclobenzaprine, amitriptyline and cyproheptadine inhibit the spinal reflex transmission through 5-HT(2) receptors. Eur J Pharmacol. 2003 Jan 1;458(1-2):91-9."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00434	Cyproheptadine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	30911	"Green JP, Weinstein H, Maayani S: Defining the histamine H2-receptor in brain: the interaction with LSD. NIDA Res Monogr. 1978;(22):38-59."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00434	Cyproheptadine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	2625138	"Eltze M, Lambrecht G, Mutschler E: Cyproheptadine displays high affinity for muscarinic receptors but does not discriminate between receptor subtypes. Eur J Pharmacol. 1989 Dec 7;173(2-3):219-22."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00434	Cyproheptadine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	2625138	"Eltze M, Lambrecht G, Mutschler E: Cyproheptadine displays high affinity for muscarinic receptors but does not discriminate between receptor subtypes. Eur J Pharmacol. 1989 Dec 7;173(2-3):219-22."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00434	Cyproheptadine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	20827463	"Teitler M, Toohey N, Knight JA, Klein MT, Smith C: Clozapine and other competitive antagonists reactivate risperidone-inactivated h5-HT7 receptors: radioligand binding and functional evidence for GPCR homodimer protomer interactions. Psychopharmacology (Berl). 2010 Dec;212(4):687-97. doi: 10.1007/s00213-010-2001-x. Epub 2010 Sep 9."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	Anti-Allergic Agents; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Miscellaneous Derivatives; Photosensitizing Agents; Benzocycloheptenes; Potential QTc-Prolonging Agents; Anticholinergic Agents; Agents that reduce seizure threshold; UGT1A3 substrates; Antipruritics; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Muscarinic Antagonists; Piperidines; Serotonin Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; OCT1 inhibitors; Antihistamines for Systemic Use; Histamine Agents	CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12		Cyproheptadine H1-Antihistamine Action	drug_action		10029	46508613		PA164749366		DAP000103	Cyproheptadine	CHEMBL516	3013
DB00435	Nitric Oxide	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	inducer	1852778; 20089135	"Moncada S, Palmer RM, Higgs EA: Nitric oxide: physiology, pathophysiology, and pharmacology. Pharmacol Rev. 1991 Jun;43(2):109-42.@@Mancuso C, Navarra P, Preziosi P: Roles of nitric oxide, carbon monoxide, and hydrogen sulfide in the regulation of the hypothalamic-pituitary-adrenal axis. J Neurochem. 2010 May;113(3):563-75. doi: 10.1111/j.1471-4159.2010.06606.x. Epub  2010 Jan 20."	Approved	Other non-metal oxides	Inorganic compounds; Homogeneous non-metal compounds; Other non-metal organides; Other non-metal oxides	"Nitrogen Compounds; Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Gases; Vasodilation; Anti-Asthmatic Agents; Endothelium-Dependent Relaxing Factors; Autonomic Agents; Nitrates and Nitrites; Hypotensive Agents; Oxides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Bronchodilator Agents; Cytochrome P-450 CYP1A2 Inhibitors; Nitrogen Oxides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Free Radicals; Reactive Nitrogen Species; Respiratory System Agents; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Compounds used in a research, industrial, or household setting; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gasotransmitters; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Oxygen Compounds"	[N]=O		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic; signaling		16163	46506897	D00074	PA450635		DAP001056	Nitric_oxide	CHEMBL1200689	7442
DB00435	Nitric Oxide	BE0000263	NOS3	P29474	NOS3_HUMAN	product of	12411399	"Rossig L, Li H, Fisslthaler B, Urbich C, Fleming I, Forstermann U, Zeiher AM, Dimmeler S: Inhibitors of histone deacetylation downregulate the expression of endothelial nitric oxide synthase and compromise endothelial cell function in vasorelaxation and angiogenesis. Circ Res. 2002 Nov 1;91(9):837-44. doi: 10.1161/01.res.0000037983.07158.b1."	Approved	Other non-metal oxides	Inorganic compounds; Homogeneous non-metal compounds; Other non-metal organides; Other non-metal oxides	"Nitrogen Compounds; Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Gases; Vasodilation; Anti-Asthmatic Agents; Endothelium-Dependent Relaxing Factors; Autonomic Agents; Nitrates and Nitrites; Hypotensive Agents; Oxides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Bronchodilator Agents; Cytochrome P-450 CYP1A2 Inhibitors; Nitrogen Oxides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Free Radicals; Reactive Nitrogen Species; Respiratory System Agents; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Compounds used in a research, industrial, or household setting; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gasotransmitters; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Oxygen Compounds"	[N]=O		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic; signaling		16163	46506897	D00074	PA450635		DAP001056	Nitric_oxide	CHEMBL1200689	7442
DB00436	Bendroflumethiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	11752352; 10894798; 18216144	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9.@@Vallon V, Rieg T, Ahn SY, Wu W, Eraly SA, Nigam SK: Overlapping in vitro and in vivo specificities of the organic anion transporters OAT1 and OAT3 for loop and thiazide diuretics. Am J Physiol Renal Physiol. 2008 Apr;294(4):F867-73. doi: 10.1152/ajprenal.00528.2007. Epub 2008 Jan 23."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F		Bendroflumethiazide Action Pathway	drug_action		9550	46508672	D00650	PA448563		DAP000188	Bendroflumethiazide	CHEMBL1684	1369
DB00436	Bendroflumethiazide	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN	inducer	14766795	"Tricarico D, Barbieri M, Mele A, Carbonara G, Camerino DC: Carbonic anhydrase inhibitors are specific openers of skeletal muscle BK channel of K+-deficient rats. FASEB J. 2004 Apr;18(6):760-1. Epub 2004 Feb 6."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F		Bendroflumethiazide Action Pathway	drug_action		9550	46508672	D00650	PA448563		DAP000188	Bendroflumethiazide	CHEMBL1684	1369
DB00436	Bendroflumethiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	16368240; 15258186	"Tricarico D, Mele A, Conte Camerino D: Carbonic anhydrase inhibitors ameliorate the symptoms of hypokalaemic periodic paralysis in rats by opening the muscular Ca2+-activated-K+ channels. Neuromuscul Disord. 2006 Jan;16(1):39-45. doi: 10.1016/j.nmd.2005.10.005. Epub 2005 Dec 20.@@Berg JT, Ramanathan S, Gabrielli MG, Swenson ER: Carbonic anhydrase in mammalian vascular smooth muscle. J Histochem Cytochem. 2004 Aug;52(8):1101-6."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F		Bendroflumethiazide Action Pathway	drug_action		9550	46508672	D00650	PA448563		DAP000188	Bendroflumethiazide	CHEMBL1684	1369
DB00436	Bendroflumethiazide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	16368240; 10090333	"Tricarico D, Mele A, Conte Camerino D: Carbonic anhydrase inhibitors ameliorate the symptoms of hypokalaemic periodic paralysis in rats by opening the muscular Ca2+-activated-K+ channels. Neuromuscul Disord. 2006 Jan;16(1):39-45. doi: 10.1016/j.nmd.2005.10.005. Epub 2005 Dec 20.@@Wistrand PJ, Carter ND, Conroy CW, Mahieu I: Carbonic anhydrase IV activity is localized on the exterior surface of human erythrocytes. Acta Physiol Scand. 1999 Feb;165(2):211-8. doi: 10.1046/j.1365-201x.1999.00478.x."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Antihypertensive Agents; Hyperglycemia-Associated Agents; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Natriuretic Agents; Increased Diuresis; Bradycardia-Causing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F		Bendroflumethiazide Action Pathway	drug_action		9550	46508672	D00650	PA448563		DAP000188	Bendroflumethiazide	CHEMBL1684	1369
DB00437	Allopurinol	BE0002204	XDH	P47989	XDH_HUMAN	inhibitor	11752352; 19584965; 19654053; 19436671; 20029618; 12184468; 5415686; 18409526; 19376361; 20046204; 16507884	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Suzuki I, Yamauchi T, Onuma M, Nozaki S: Allopurinol, an inhibitor of uric acid synthesis--can it be used for the treatment of metabolic syndrome and related disorders? Drugs Today (Barc). 2009 May;45(5):363-78. doi: 10.1358/dot.2009.45.5.1370460.@@Carro MD, Falkenstein E, Radke WJ, Klandorf H: Effects of allopurinol on uric acid concentrations, xanthine oxidoreductase activity and oxidative stress in broiler chickens. Comp Biochem Physiol C Toxicol Pharmacol. 2010 Jan;151(1):12-7. doi: 10.1016/j.cbpc.2009.07.010. Epub 2009 Aug 3.@@George J, Struthers AD: Role of urate, xanthine oxidase and the effects of allopurinol in vascular oxidative stress. Vasc Health Risk Manag. 2009;5(1):265-72. Epub 2009 Apr 8.@@Higgins P, Dawson J, Walters M: The potential for xanthine oxidase inhibition in the prevention and treatment of cardiovascular and cerebrovascular disease. Cardiovasc Psychiatry Neurol. 2009;2009:282059. doi: 10.1155/2009/282059. Epub 2009 Nov 4.@@Dincer HE, Dincer AP, Levinson DJ: Asymptomatic hyperuricemia: to treat or not to treat. Cleve Clin J Med. 2002 Aug;69(8):594, 597, 600-2 passim.@@Kelley WN, Wyngaarden JB: Effects of allopurinol and oxipurinol on purine synthesis in cultured human cells. J Clin Invest. 1970 Mar;49(3):602-9.@@Okamoto K: [Inhibitors of xanthine oxidoreductase]. Nihon Rinsho. 2008 Apr;66(4):748-53.@@Taha MO, Simoes MJ, Noguerol EC, Mendonca FP, Pascoalick HM, Alves RA, Vivian ME, Morales FP, Campos AC, Magalhaes KG, Venerando PS, Tersariol IL, Monteiro HP, Oliveira-Junior IS, Jurkiewicz A, Caricati-Neto A: Effects of allopurinol on ischemia and reperfusion in rabbit livers. Transplant Proc. 2009 Apr;41(3):820-3. doi: 10.1016/j.transproceed.2009.02.051.@@Terkeltaub R: Update on gout: new therapeutic strategies and options. Nat Rev Rheumatol. 2010 Jan;6(1):30-8. doi: 10.1038/nrrheum.2009.236.@@Pacher P, Nivorozhkin A, Szabo C: Therapeutic effects of xanthine oxidase inhibitors: renaissance half a century after the discovery of allopurinol. Pharmacol Rev. 2006 Mar;58(1):87-114."	Approved	"Pyrazolo[3,4-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines"	"BCRP/ABCG2 Substrates; Antigout Preparations; Antioxidants; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Xanthine Oxidase Inhibitors; Preparations Inhibiting Uric Acid Production; Antimetabolites; Protective Agents; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Uricosuric Agents"	OC1=NC=NC2=C1C=NN2					9388	46508516	D00224	PA448320		DAP000773	Allopurinol	CHEMBL1467	519
DB00439	Cerivastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	10193776; 10740137; 11057870; 11448925; 11470741; 11752352	"Shiomi M, Ito T: Effect of cerivastatin sodium, a new inhibitor of HMG-CoA reductase, on plasma lipid levels, progression of atherosclerosis, and the lesional composition in the plaques of WHHL rabbits. Br J Pharmacol. 1999 Feb;126(4):961-8.@@Blumenthal RS: Statins: effective antiatherosclerotic therapy. Am Heart J. 2000 Apr;139(4):577-83.@@Ganne F, Vasse M, Beaudeux JL, Peynet J, Francois A, Mishal Z, Chartier A, Tobelem G, Vannier JP, Soria J, Soria C: Cerivastatin, an inhibitor of HMG-CoA reductase, inhibits urokinase/urokinase-receptor expression and MMP-9 secretion by peripheral blood monocytes--a possible protective mechanism against atherothrombosis. Thromb Haemost. 2000 Oct;84(4):680-8.@@Wong WW, Tan MM, Xia Z, Dimitroulakos J, Minden MD, Penn LZ: Cerivastatin triggers tumor-specific apoptosis with higher efficacy than lovastatin. Clin Cancer Res. 2001 Jul;7(7):2067-75.@@Denoyelle C, Vasse M, Korner M, Mishal Z, Ganne F, Vannier JP, Soria J, Soria C: Cerivastatin, an inhibitor of HMG-CoA reductase, inhibits the signaling pathways involved in the invasiveness and metastatic properties of highly invasive breast cancer cell lines: an in vitro study. Carcinogenesis. 2001 Aug;22(8):1139-48.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates"	COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C		Cerivastatin Action Pathway	drug_action		11747	46505877		PA448897		DNC000403	Cerivastatin	CHEMBL1477	596723
DB00441	Gemcitabine	BE0000637	CMPK1	P30085	KCY_HUMAN	inhibitor	17000136; 15550676; 16041392; 17565005	"Vernejoul F, Ghenassia L, Souque A, Lulka H, Drocourt D, Cordelier P, Pradayrol L, Pyronnet S, Buscail L, Tiraby G: Gene therapy based on gemcitabine chemosensitization suppresses pancreatic tumor growth. Mol Ther. 2006 Dec;14(6):758-67. Epub 2006 Sep 25.@@Hsu CH, Liou JY, Dutschman GE, Cheng YC: Phosphorylation of Cytidine, Deoxycytidine, and Their Analog Monophosphates by Human UMP/CMP Kinase Is Differentially Regulated by ATP and Magnesium. Mol Pharmacol. 2005 Mar;67(3):806-14. Epub 2004 Nov 18.@@Maring JG, Groen HJ, Wachters FM, Uges DR, de Vries EG: Genetic factors influencing pyrimidine-antagonist chemotherapy. Pharmacogenomics J. 2005;5(4):226-43.@@Lam W, Leung CH, Bussom S, Cheng YC: The impact of hypoxic treatment on the expression of phosphoglycerate kinase and the cytotoxicity of troxacitabine and gemcitabine. Mol Pharmacol. 2007 Sep;72(3):536-44. Epub 2007 Jun 12."	Approved	Pyrimidine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Antineoplastic Agents; Pyrimidine Analogues; Deoxycytidine; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Deoxyribonucleosides; Nucleic Acids, Nucleotides, and Nucleosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Ribonucleotide Reductases, antagonists & inhibitors; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F		Gemcitabine Metabolism Pathway; Gemcitabine Action Pathway	drug_metabolism; drug_action		11262	46506425	D02368	PA449748		DAP001246	Gemcitabine	CHEMBL888	12574
DB00443	Betamethasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	12188035; 15336699; 15866114	"Tanigawa K, Nagase H, Ohmori K, Tanaka K, Miyake H, Kiniwa M, Ikizawa K: Species-specific differences in the glucocorticoid receptor transactivation function upon binding with betamethasone-esters. Int Immunopharmacol. 2002 Jun;2(7):941-50.@@Aida K, Shi Q, Wang J, VandeBerg JL, McDonald T, Nathanielsz P, Wang XL: The effects of betamethasone (BM) on endothelial nitric oxide synthase (eNOS) expression in adult baboon femoral arterial endothelial cells. J Steroid Biochem Mol Biol. 2004 Aug;91(4-5):219-24.@@Johnstone JF, Bocking AD, Unlugedik E, Challis JR: The effects of chorioamnionitis and betamethasone on 11beta hydroxysteroid dehydrogenase types 1 and 2 and the glucocorticoid receptor in preterm human placenta. J Soc Gynecol Investig. 2005 May;12(4):238-45."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Cytochrome P-450 CYP3A5 Inducers (weak); Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Otologicals; Steroids, Fluorinated; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					20081	46505155	D00244	PA164754818		DAP001043	Betamethasone	CHEMBL632	1514
DB00446	Chloramphenicol	BE0000929	CD55	P08174	DAF_HUMAN	other	15331605; 17376081	"Pettigrew D, Anderson KL, Billington J, Cota E, Simpson P, Urvil P, Rabuzin F, Roversi P, Nowicki B, du Merle L, Le Bouguenec C, Matthews S, Lea SM: High resolution studies of the Afa/Dr adhesin DraE and its interaction with chloramphenicol. J Biol Chem. 2004 Nov 5;279(45):46851-7. Epub 2004 Aug 24.@@Korotkova N, Chattopadhyay S, Tabata TA, Beskhlebnaya V, Vigdorovich V, Kaiser BK, Strong RK, Dykhuizen DE, Sokurenko EV, Moseley SL: Selection for functional diversity drives accumulation of point mutations in Dr adhesins of Escherichia coli. Mol Microbiol. 2007 Apr;64(1):180-94."	Approved; Vet_approved; Withdrawn	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes	Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Enzyme Inhibitors; Anti-Bacterial Agents; Dermatologicals; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Glycols; Cytochrome P-450 Enzyme Inhibitors; Protein Synthesis Inhibitors; Antiinfectives for Treatment of Acne; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; Ophthalmological and Otological Preparations; Nitro Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antibacterials for Systemic Use; Amphenicols; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP3A7 Inhibitors; Immunosuppressive Agents; Anti-Infective Agents; Propylene Glycols; Ophthalmologicals; Antibiotics for Topical Use; Nitrobenzenes; Cytochrome P-450 CYP2C19 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sensory Organs	OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O		Chloramphenicol Action Pathway	drug_action		8578	46505318	D00104	PA448927		DAP001356	Chloramphenicol	CHEMBL130	2348
DB00448	Lansoprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	11693467; 9279507; 11752352	"Matheson AJ, Jarvis B: Lansoprazole: an update of its place in the management of acid-related disorders. Drugs. 2001;61(12):1801-33.@@Langtry HD, Wilde MI: Lansoprazole. An update of its pharmacological properties and clinical efficacy in the management of acid-related disorders. Drugs. 1997 Sep;54(3):473-500.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Inhibition Gastric Acid Secretion; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Benzimidazoles; Proton-pump Inhibitors"	CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1		Lansoprazole Metabolism Pathway; Lansoprazole Action Pathway	drug_metabolism; drug_action		180	46508975	D00355	PA450180		DAP000725	Lansoprazole	CHEMBL480	17128
DB00448	Lansoprazole	BE0003474	MAPT	P10636	TAU_HUMAN		20110603	"Rojo LE, Alzate-Morales J, Saavedra IN, Davies P, Maccioni RB: Selective interaction of lansoprazole and astemizole with tau polymers: potential new clinical use in diagnosis of Alzheimer's disease. J Alzheimers Dis. 2010;19(2):573-89. doi: 10.3233/JAD-2010-1262."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Inhibition Gastric Acid Secretion; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Benzimidazoles; Proton-pump Inhibitors"	CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1		Lansoprazole Metabolism Pathway; Lansoprazole Action Pathway	drug_metabolism; drug_action		180	46508975	D00355	PA450180		DAP000725	Lansoprazole	CHEMBL480	17128
DB00449	Dipivefrin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17603545; 17658513	"Sanbe A, Tanaka Y, Fujiwara Y, Tsumura H, Yamauchi J, Cotecchia S, Koike K, Tsujimoto G, Tanoue A: Alpha1-adrenoceptors are required for normal male sexual function. Br J Pharmacol. 2007 Oct;152(3):332-40. Epub 2007 Jul 2.@@Tomiyama Y, Kobayashi K, Tadachi M, Kobayashi S, Inada Y, Kobayashi M, Yamazaki Y: Expressions and mechanical functions of alpha1-adrenoceptor subtypes in hamster ureter. Eur J Pharmacol. 2007 Nov 14;573(1-3):201-5. Epub 2007 Jul 6."	Approved	Phenol esters	Organic compounds; Benzenoids; Phenol esters	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Catecholamines; Benzene Derivatives; Ophthalmics; Amino Alcohols; Phenols; Alcohols; Antiglaucoma Preparations and Miotics; Adrenergic Agonists; Mydriatics; Adrenergic alpha-1 Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Cholinesterase substrates; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Sensory Organs	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1					8913	46504716	D02349	PA449364		DAP000593	Dipivefrine	CHEMBL1201262	23410
DB00449	Dipivefrin	BE0002180	BCHE	P06276	CHLE_HUMAN	substrate	8446367	"Nakamura M, Shirasawa E, Hikida M: Characterization of esterases involved in the hydrolysis of dipivefrin hydrochloride. Ophthalmic Res. 1993;25(1):46-51."	Approved	Phenol esters	Organic compounds; Benzenoids; Phenol esters	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Catecholamines; Benzene Derivatives; Ophthalmics; Amino Alcohols; Phenols; Alcohols; Antiglaucoma Preparations and Miotics; Adrenergic Agonists; Mydriatics; Adrenergic alpha-1 Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Cholinesterase substrates; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents; Sensory Organs	CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1					8913	46504716	D02349	PA449364		DAP000593	Dipivefrine	CHEMBL1201262	23410
DB00450	Droperidol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	12505540	"Zupko I, Janossy K, Maul K, Marki A, Falkay G: Alpha-adrenergic blockade: a possible mechanism of tocolytic action of certain benzodiazepines in a postpartum rat model in vivo. Life Sci. 2003 Jan 24;72(10):1093-102."	Approved; Vet_approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Butyrophenones; Heterocyclic Compounds, Fused-Ring; Ketones; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Adjuvants, Anesthesia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Dopamine Agents; Benzimidazoles"	FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12					10123	46505291	D00308	PA449422		DAP000412	Droperidol	CHEMBL1108	3648
DB00450	Droperidol	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	1549935; 2527092; 14633536; 20358234	"Grip G, Svensson BA, Gordh T Jr, Post C, Hartvig P: Histopathology and evaluation of potentiation of morphine-induced antinociception by intrathecal droperidol in the rat. Acta Anaesthesiol Scand. 1992 Feb;36(2):145-52.@@Hamik A, Peroutka SJ: Differential interactions of traditional and novel antiemetics with dopamine D2 and 5-hydroxytryptamine3 receptors. Cancer Chemother Pharmacol. 1989;24(5):307-10.@@Larson MD: The effect of antiemetics on pupillary reflex dilation during epidural/general anesthesia. Anesth Analg. 2003 Dec;97(6):1652-6.@@Gao HR, Shi TF, Yang CX, Zhang D, Zhang GW, Zhang Y, Jiao RS, Zhang H, Xu MY: The effect of dopamine on pain-related neurons in the parafascicular nucleus of rats. J Neural Transm (Vienna). 2010 May;117(5):585-91. doi: 10.1007/s00702-010-0398-3. Epub 2010 Apr 1."	Approved; Vet_approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Butyrophenones; Heterocyclic Compounds, Fused-Ring; Ketones; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Adjuvants, Anesthesia; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Dopamine Agents; Benzimidazoles"	FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12					10123	46505291	D00308	PA449422		DAP000412	Droperidol	CHEMBL1108	3648
DB00451	Levothyroxine	BE0000315	THRB	P10828	THB_HUMAN	agonist	17016423; 18816177; 20151830; 16053391; 20051527	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Marazuela M, Nattero L, Moure D, Garcia-Polo I, Figueroa-Vega N, Guijarro C: Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23. doi: 10.1089/thy.2007.0375.@@Sivakumar T, Chaidarun S: Resistance to thyroid hormone in a patient with coexisting Graves' disease. Thyroid. 2010 Feb;20(2):213-6. doi: 10.1089/thy.2009.0175.@@Grasberger H, Ringkananont U, Croxson M, Refetoff S: Resistance to thyroid hormone in a patient with thyroid dysgenesis. Thyroid. 2005 Jul;15(7):730-3.@@Cheng SY, Leonard JL, Davis PJ: Molecular aspects of thyroid hormone actions. Endocr Rev. 2010 Apr;31(2):139-70. doi: 10.1210/er.2009-0007. Epub 2010 Jan 5."	Approved	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Agents used to treat hypothyroidism; UGT1A1 Substrates with a Narrow Therapeutic Index; Hormones; Thyroxine-binding globulin substrates; Amino Acids; OATP1B3 inhibitors; Thyroid Products; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Amino Acids, Cyclic; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Hormones, Hormone Substitutes, and Hormone Antagonists"	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O		Thyroid Hormone Synthesis	metabolic		5325	46507672	D08125	PA450221		DAP000083	Levothyroxine	CHEMBL1624	10582
DB00454	Meperidine	BE0000632	OPRK1	P41145	OPRK_HUMAN		9100971; 29261967; 8267194; 10846914	"Ikeda T, Kurz A, Sessler DI, Go J, Kurz M, Belani K, Larson M, Bjorksten AR, Dechert M, Christensen R: The effect of opioids on thermoregulatory responses in humans and the special antishivering action of meperidine. Ann N Y Acad Sci. 1997 Mar 15;813:792-8. doi: 10.1111/j.1749-6632.1997.tb51783.x.@@Yasaei R, Saadabadi A: Meperidine .@@Kurz M, Belani KG, Sessler DI, Kurz A, Larson MD, Schroeder M, Blanchard D: Naloxone, meperidine, and shivering. Anesthesiology. 1993 Dec;79(6):1193-201. doi: 10.1097/00000542-199312000-00009.@@Cruz Pardos P, Garutti Martinez I: [Usefulness of meperidine in anesthesiology]. Rev Esp Anestesiol Reanim. 2000 Apr;47(4):168-75; quiz 175-6."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	10735801	"Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	antagonist	10735801	"Yamakura T, Sakimura K, Shimoji K: N-methyl-D-aspartate receptor channel block by meperidine is dependent on extracellular pH. Anesth Analg. 2000 Apr;90(4):928-32."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0004890	CHRM1	P08912	ACM5_HUMAN	binder	8164394	Hustveit O: Binding of fentanyl and pethidine to muscarinic receptors in rat brain. Jpn J Pharmacol. 1994 Jan;64(1):57-9.	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10612583; 15743177; 20980153	"Lomenzo SA, Izenwasser S, Gerdes RM, Katz JL, Kopajtic T, Trudell ML: Synthesis, dopamine and serotonin transporter binding affinities of novel analogues of meperidine. Bioorg Med Chem Lett. 1999 Dec 6;9(23):3273-6.@@Lomenzo SA, Rhoden JB, Izenwasser S, Wade D, Kopajtic T, Katz JL, Trudell ML: Synthesis and biological evaluation of meperidine analogues at monoamine transporters. J Med Chem. 2005 Mar 10;48(5):1336-43.@@Gu X, Izenwasser S, Wade D, Housman A, Gulasey G, Rhoden JB, Savoie CD, Mobley DL, Lomenzo SA, Trudell ML: Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands. Bioorg Med Chem. 2010 Dec 1;18(23):8356-64. doi: 10.1016/j.bmc.2010.09.060. Epub  2010 Sep 29."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	15743177; 20980153	"Lomenzo SA, Rhoden JB, Izenwasser S, Wade D, Kopajtic T, Katz JL, Trudell ML: Synthesis and biological evaluation of meperidine analogues at monoamine transporters. J Med Chem. 2005 Mar 10;48(5):1336-43.@@Gu X, Izenwasser S, Wade D, Housman A, Gulasey G, Rhoden JB, Savoie CD, Mobley DL, Lomenzo SA, Trudell ML: Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands. Bioorg Med Chem. 2010 Dec 1;18(23):8356-64. doi: 10.1016/j.bmc.2010.09.060. Epub  2010 Sep 29."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00454	Meperidine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	binder	15743177; 20980153	"Lomenzo SA, Rhoden JB, Izenwasser S, Wade D, Kopajtic T, Katz JL, Trudell ML: Synthesis and biological evaluation of meperidine analogues at monoamine transporters. J Med Chem. 2005 Mar 10;48(5):1336-43.@@Gu X, Izenwasser S, Wade D, Housman A, Gulasey G, Rhoden JB, Savoie CD, Mobley DL, Lomenzo SA, Trudell ML: Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands. Bioorg Med Chem. 2010 Dec 1;18(23):8356-64. doi: 10.1016/j.bmc.2010.09.060. Epub  2010 Sep 29."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Sensory System Agents; Narcotics; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Phenylpiperidine opioids; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Adjuvants; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Opiate Agonists; High-risk opioids; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Opioids"	CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1					11358	46506899	D08343	PA450369		DAP000230	Pethidine	CHEMBL607	6754
DB00455	Loratadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 1303772; 7581058; 8174605; 10597865; 15942272; 1303773; 9444440; 1977506	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J, Wojciechowska B: [Effect of loratadine--selective antagonist of histamine (H1) receptor--on allergen-induced bronchoconstriction in atopic asthmatics]. Pneumonol Alergol Pol. 1992;60(11-12):11-5.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J: [Effect of loratadine, selective antagonist of histamine H1 receptors, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1995;63(5-6):281-5.@@Letari O, Miozzo A, Folco G, Belloni PA, Sala A, Rovati GE, Nicosia S: Effects of loratadine on cytosolic Ca2+ levels and leukotriene release: novel mechanisms of action independent of the anti-histamine activity. Eur J Pharmacol. 1994 Feb 15;266(3):219-27.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Grzelewska-Rzymowska I, Gondorowicz K, Cieslewicz G, Rozniecki J, Wojciechowska B: [Effect of loratadine (LO), a selective H1 antagonist, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1992;60(11-12):16-21.@@Menardo JL, Horak F, Danzig MR, Czarlewski W: A review of loratadine in the treatment of patients with allergic bronchial asthma. Clin Ther. 1997 Nov-Dec;19(6):1278-93; discussion 1523-4.@@Howarth PH: Histamine and asthma: an appraisal based on specific H1-receptor antagonism. Clin Exp Allergy. 1990 Aug;20 Suppl 2:31-41."	Approved; Investigational	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Loratadine and derivatives; Antipruritics; Dibenzocycloheptenes; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Piperidines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Substrates"	CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2		Loratadine H1-Antihistamine Action	drug_action		1299	46507853	D00364	PA450266		DAP000101	Loratadine	CHEMBL998	28889
DB00457	Prazosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15258254; 10771044; 17658513; 14980979	"Morris DP, Price RR, Smith MP, Lei B, Schwinn DA: Cellular trafficking of human alpha1a-adrenergic receptors is continuous and primarily agonist-independent. Mol Pharmacol. 2004 Oct;66(4):843-54. Epub 2004 Jul 16.@@Suzuki Y, Kanada A, Okaya Y, Aisaka K: Effect of JTH-601, a novel alpha(1)-adrenoceptor antagonist, on prostate function in dogs. Eur J Pharmacol. 2000 Apr 7;394(1):123-30.@@Tomiyama Y, Kobayashi K, Tadachi M, Kobayashi S, Inada Y, Kobayashi M, Yamazaki Y: Expressions and mechanical functions of alpha1-adrenoceptor subtypes in hamster ureter. Eur J Pharmacol. 2007 Nov 14;573(1-3):201-5. Epub 2007 Jul 6.@@Zacharia J, Hillier C, MacDonald A: Alpha1-adrenoceptor subtypes involved in vasoconstrictor responses to exogenous and neurally released noradrenaline in rat femoral resistance arteries. Br J Pharmacol. 2004 Mar;141(6):915-24. Epub 2004 Feb 23."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Antiadrenergic Agents, Peripherally Acting; P-glycoprotein substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Alpha-Adrenoreceptor Antagonists and Diuretics; OCT1 inhibitors; Quinazolines"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1					2193	46508594	D08411	PA451093		DAP000300	Prazosin	CHEMBL2	8629
DB00457	Prazosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	8925876; 12824165; 7691623	"Eltze M: In functional experiments, risperidone is selective, not for the B, but for the A subtype of alpha 1-adrenoceptors. Eur J Pharmacol. 1996 Jan 4;295(1):69-73.@@Sharpe IA, Thomas L, Loughnan M, Motin L, Palant E, Croker DE, Alewood D, Chen S, Graham RM, Alewood PF, Adams DJ, Lewis RJ: Allosteric alpha 1-adrenoreceptor antagonism by the conopeptide rho-TIA. J Biol Chem. 2003 Sep 5;278(36):34451-7. Epub 2003 Jun 24.@@Sleight AJ, Koek W, Bigg DC: Binding of antipsychotic drugs at alpha 1A- and alpha 1B-adrenoceptors: risperidone is selective for the alpha 1B-adrenoceptors. Eur J Pharmacol. 1993 Jul 20;238(2-3):407-10."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; OCT2 Substrates; Hypotensive Agents; OCT1 substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Antiadrenergic Agents, Peripherally Acting; P-glycoprotein substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Alpha-Adrenoreceptor Antagonists and Diuretics; OCT1 inhibitors; Quinazolines"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1					2193	46508594	D08411	PA451093		DAP000300	Prazosin	CHEMBL2	8629
DB00458	Imipramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	16893531; 16554743; 14716684; 11356924; 10193665	"Mitchell HA, Ahern TH, Liles LC, Javors MA, Weinshenker D: The effects of norepinephrine transporter inactivation on locomotor activity in mice. Biol Psychiatry. 2006 Nov 15;60(10):1046-52. Epub 2006 Aug 7.@@Dziedzicka-Wasylewska M, Faron-Gorecka A, Kusmider M, Drozdowska E, Rogoz Z, Siwanowicz J, Caron MG, Bonisch H: Effect of antidepressant drugs in mice lacking the norepinephrine transporter. Neuropsychopharmacology. 2006 Nov;31(11):2424-32. Epub 2006 Mar 22.@@Anton M, Wagner B, Haubner R, Bodenstein C, Essien BE, Bonisch H, Schwaiger M, Gansbacher B, Weber WA: Use of the norepinephrine transporter as a reporter gene for non-invasive imaging of genetically modified cells. J Gene Med. 2004 Jan;6(1):119-26.@@Kantor L, Hewlett GH, Park YH, Richardson-Burns SM, Mellon MJ, Gnegy ME: Protein kinase C and intracellular calcium are required for amphetamine-mediated dopamine release via the norepinephrine transporter in undifferentiated PC12 cells. J Pharmacol Exp Ther. 2001 Jun;297(3):1016-24.@@Tatsumi M, Jansen K, Blakely RD, Richelson E: Pharmacological profile of neuroleptics at human monoamine transporters. Eur J Pharmacol. 1999 Mar 5;368(2-3):277-83."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	10624553; 10869387; 11513817; 11746710; 15056483; 7548008; 9537821	"Leboyer M, Quintin P, Manivet P, Varoquaux O, Allilaire JF, Launay JM: Decreased serotonin transporter binding in unaffected relatives of manic depressive patients. Biol Psychiatry. 1999 Dec 15;46(12):1703-6.@@Scholze P, Zwach J, Kattinger A, Pifl C, Singer EA, Sitte HH: Transporter-mediated release: a superfusion study on human embryonic kidney cells stably expressing the human serotonin transporter. J Pharmacol Exp Ther. 2000 Jun;293(3):870-8.@@Quintin P, Benkelfat C, Launay JM, Arnulf I, Pointereau-Bellenger A, Barbault S, Alvarez JC, Varoquaux O, Perez-Diaz F, Jouvent R, Leboyer M: Clinical and neurochemical effect of acute tryptophan depletion in unaffected relatives of patients with bipolar affective disorder. Biol Psychiatry. 2001 Aug 1;50(3):184-90.@@Goulet M, Miller GM, Bendor J, Liu S, Meltzer PC, Madras BK: Non-amines, drugs without an amine nitrogen, potently block serotonin transport: novel antidepressant candidates? Synapse. 2001 Dec 1;42(3):129-40.@@Barkan T, Gurwitz D, Levy G, Weizman A, Rehavi M: Biochemical and pharmacological characterization of the serotonin transporter in human peripheral blood lymphocytes. Eur Neuropsychopharmacol. 2004 May;14(3):237-43.@@Schloss P, Betz H: Heterogeneity of antidepressant binding sites on the recombinant rat serotonin transporter SERT1. Biochemistry. 1995 Oct 3;34(39):12590-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7855217; 20363235	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0003603	KCND2	Q9NZV8	KCND2_HUMAN	inhibitor	9781919	"Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	inhibitor	9781919	"Casis O, Sanchez-Chapula JA: Disopyramide, imipramine, and amitriptyline bind to a common site on the transient outward K+ channel. J Cardiovasc Pharmacol. 1998 Oct;32(4):521-6."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	8876023; 7804391	"Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40.@@Roth BL: Multiple serotonin receptors: clinical and experimental aspects. Ann Clin Psychiatry. 1994 Jun;6(2):67-78."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	20363235	"Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10997731; 7804391	"Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9.@@Roth BL: Multiple serotonin receptors: clinical and experimental aspects. Ann Clin Psychiatry. 1994 Jun;6(2):67-78."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000756	DRD2	P14416	DRD2_HUMAN	binder	15081025	"Peddi S, Roth BL, Glennon RA, Westkaemper RB: Structural determinants for high 5-HT(2A) receptor affinity of spiro[9,10-dihydroanthracene]-9,3(')-pyrrolidine (SpAMDA). Bioorg Med Chem Lett. 2004 May 3;14(9):2279-83."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10479674	"Melikian HE, Buckley KM: Membrane trafficking regulates the activity of the human dopamine transporter. J Neurosci. 1999 Sep 15;19(18):7699-710."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00458	Imipramine	BE0005191	KCNH1	O95259	KCNH1_HUMAN		15365094	"Garcia-Ferreiro RE, Kerschensteiner D, Major F, Monje F, Stuhmer W, Pardo LA: Mechanism of block of hEag1 K+ channels by imipramine and astemizole. J Gen Physiol. 2004 Oct;124(4):301-17. Epub 2004 Sep 13."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway	drug_metabolism; drug_action		9267	46507351	D08070	PA449969		DAP001154	Imipramine	CHEMBL11	5691
DB00459	Acitretin	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	9074840; 9153406	"Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Tian K, Norris AW, Lin CL, Li E: The isolation and characterization of purified heterocomplexes of recombinant retinoic acid receptor and retinoid X receptor ligand binding domains. Biochemistry. 1997 May 13;36(19):5669-76."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids"	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1					1209	46509178	D02754	PA448039		DAP000743	Acitretin	CHEMBL1131	16818
DB00459	Acitretin	BE0000663	RARA	P10276	RARA_HUMAN	agonist	10459139; 9074840; 9153406; 19144697	"Saurat JH: Retinoids and psoriasis: novel issues in retinoid pharmacology and implications for psoriasis treatment. J Am Acad Dermatol. 1999 Sep;41(3 Pt 2):S2-6.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Tian K, Norris AW, Lin CL, Li E: The isolation and characterization of purified heterocomplexes of recombinant retinoic acid receptor and retinoid X receptor ligand binding domains. Biochemistry. 1997 May 13;36(19):5669-76.@@Tippmann F, Hundt J, Schneider A, Endres K, Fahrenholz F: Up-regulation of the alpha-secretase ADAM10 by retinoic acid receptors and acitretin. FASEB J. 2009 Jun;23(6):1643-54. doi: 10.1096/fj.08-121392. Epub 2009 Jan 14."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids"	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1					1209	46509178	D02754	PA448039		DAP000743	Acitretin	CHEMBL1131	16818
DB00459	Acitretin	BE0000206	RARB	P10826	RARB_HUMAN	agonist	7755585; 11586072; 19144697	"Berggren Soderlund M, Johannesson G, Fex G: Expression of human all-trans-retinoic acid receptor beta and its ligand-binding domain in Escherichia coli. Biochem J. 1995 May 15;308 ( Pt 1):353-9.@@Zouboulis CC: Retinoids--which dermatological indications will benefit in the near future? Skin Pharmacol Appl Skin Physiol. 2001 Sep-Oct;14(5):303-15.@@Tippmann F, Hundt J, Schneider A, Endres K, Fahrenholz F: Up-regulation of the alpha-secretase ADAM10 by retinoic acid receptors and acitretin. FASEB J. 2009 Jun;23(6):1643-54. doi: 10.1096/fj.08-121392. Epub 2009 Jan 14."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids"	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1					1209	46509178	D02754	PA448039		DAP000743	Acitretin	CHEMBL1131	16818
DB00459	Acitretin	BE0000144	RARG	P13631	RARG_HUMAN	agonist	17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Dermatologicals; Antipsoriatics; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Antipsoriatics for Systemic Use; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Cyclohexanes; Pigments, Biological; Terpenes; Biological Factors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Retinoids; Retinoids for Treatment of Psoriasis; Polyenes; Keratolytic Agents; Carotenoids"	COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1					1209	46509178	D02754	PA448039		DAP000743	Acitretin	CHEMBL1131	16818
DB00462	Methscopolamine bromide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	19565307; 11752352	"Soukup O, Proska J, Binder J, Karasova JZ, Tobin G, Jun D, Marek J, Musilek K, Fusek J, Kuca K: Methylacridinium and its cholinergic properties. Neurotox Res. 2009 Nov;16(4):372-7. doi: 10.1007/s12640-009-9071-8. Epub 2009 Jun 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved			Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Scopolamine Derivatives; Alkaloids; Agents producing tachycardia; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics; Tropanes	[Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1					8989	46506260	D00715	PA164784032		DAP001126	Methylscopolamine_bromide	CHEMBL1354199	56092
DB00462	Methscopolamine bromide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	19498041; 12815157; 20687226	"Sykes DA, Dowling MR, Charlton SJ: Exploring the mechanism of agonist efficacy: a relationship between efficacy and agonist dissociation rate at the muscarinic M3 receptor. Mol Pharmacol. 2009 Sep;76(3):543-51. doi: 10.1124/mol.108.054452. Epub 2009 Jun  4.@@Voigtlander U, Johren K, Mohr M, Raasch A, Trankle C, Buller S, Ellis J, Holtje HD, Mohr K: Allosteric site on muscarinic acetylcholine receptors: identification of two amino acids in the muscarinic M2 receptor that account entirely for the M2/M5 subtype selectivities of some structurally diverse allosteric ligands in N-methylscopolamine-occupied receptors. Mol Pharmacol. 2003 Jul;64(1):21-31.@@Saito M, Kazuyama E, Shimizu S, Dimitriadis F, Kinoshita Y, Masuda E, Yamada S, Satoh K: Muscarinic receptors and their mRNAs in type 2 Goto-Kakizaki diabetic rat prostate. Prostate. 2010 Oct 1;70(14):1533-9. doi: 10.1002/pros.21188."	Approved			Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Scopolamine Derivatives; Alkaloids; Agents producing tachycardia; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics; Tropanes	[Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1					8989	46506260	D00715	PA164784032		DAP001126	Methylscopolamine_bromide	CHEMBL1354199	56092
DB00463	Metharbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00463	Metharbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Withdrawn	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Anticholinergic Agents; Barbiturates and Derivatives; Nicotinic Antagonists; Central Nervous System Depressants; Pyrimidines; Nervous System; Anticonvulsants	CCC1(CC)C(=O)NC(=O)N(C)C1=O						46508167	D01382	PA164746525		DAP000675	Metharbital	CHEMBL450	6825
DB00466	Picrotoxin	BE0000745	GLRA2	P23416	GLRA2_HUMAN	antagonist	17714449; 17405877	"Yang Z, Cromer BA, Harvey RJ, Parker MW, Lynch JW: A proposed structural basis for picrotoxinin and picrotin binding in the glycine receptor pore. J Neurochem. 2007 Oct;103(2):580-9. Epub 2007 Aug 20.@@Wang DS, Buckinx R, Lecorronc H, Mangin JM, Rigo JM, Legendre P: Mechanisms for picrotoxinin and picrotin blocks of alpha2 homomeric glycine receptors. J Biol Chem. 2007 Jun 1;282(22):16016-35. Epub 2007 Apr 3."	Experimental	Furopyrans	Organic compounds; Organoheterocyclic compounds; Furopyrans	"Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists"	[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O						46506796		PA164777007		DAP000676	Picrotoxin	CHEMBL1908342	
DB00466	Picrotoxin	BE0000414	GLRA3	O75311	GLRA3_HUMAN	antagonist	17714449	"Yang Z, Cromer BA, Harvey RJ, Parker MW, Lynch JW: A proposed structural basis for picrotoxinin and picrotin binding in the glycine receptor pore. J Neurochem. 2007 Oct;103(2):580-9. Epub 2007 Aug 20."	Experimental	Furopyrans	Organic compounds; Organoheterocyclic compounds; Furopyrans	"Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists"	[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O						46506796		PA164777007		DAP000676	Picrotoxin	CHEMBL1908342	
DB00466	Picrotoxin	BE0000433	GLRA1	P23415	GLRA1_HUMAN	antagonist	15081878	"Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99."	Experimental	Furopyrans	Organic compounds; Organoheterocyclic compounds; Furopyrans	"Protective Agents; Central Nervous System Stimulants; GABA Agents; Cycloparaffins; Toxins, Biological; Cyclohexanes; Terpenes; Plant Preparations; Biological Factors; Antidotes; Complex Mixtures; Sesquiterpenes; GABA Antagonists; Lactones; Stimulants; Compounds used in a research, industrial, or household setting; Biological Products; Plant Extracts; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Convulsants; GABA-A Receptor Antagonists"	[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O						46506796		PA164777007		DAP000676	Picrotoxin	CHEMBL1908342	
DB00470	Dronabinol	BE0000095	CNR2	P34972	CNR2_HUMAN	agonist	17139494; 19226257	"Davis M, Maida V, Daeninck P, Pergolizzi J: The emerging role of cannabinoid neuromodulators in symptom management. Support Care Cancer. 2007 Jan;15(1):63-71. Epub 2006 Dec 1.@@Pertwee RG: Emerging strategies for exploiting cannabinoid receptor agonists as medicines. Br J Pharmacol. 2009 Feb;156(3):397-411. doi: 10.1111/j.1476-5381.2008.00048.x."	Approved; Illicit	"2,2-dimethyl-1-benzopyrans"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A7 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Terpenes; Cytochrome P-450 CYP2A6 Inhibitors; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hallucinogens; Analgesics, Non-Narcotic; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Psychotropic Drugs; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Miscellaneous Antiemetics; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1					8285	46508472	D00306	PA449421		DAP000207	Dronabinol	CHEMBL465	10402
DB00472	Fluoxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17289086; 17335951; 17356573; 17486443; 11752352; 9537821	"Iceta R, Mesonero JE, Alcalde AI: Effect of long-term fluoxetine treatment on the human serotonin transporter in Caco-2 cells. Life Sci. 2007 Mar 27;80(16):1517-24. Epub 2007 Jan 20.@@Mirza NR, Nielsen EO, Troelsen KB: Serotonin transporter density and anxiolytic-like effects of antidepressants in mice. Prog Neuropsychopharmacol Biol Psychiatry. 2007 May 9;31(4):858-66. Epub 2007 Jan 30.@@Sanders AC, Hussain AJ, Hen R, Zhuang X: Chronic blockade or constitutive deletion of the serotonin transporter reduces operant responding for food reward. Neuropsychopharmacology. 2007 Nov;32(11):2321-9. Epub 2007 Mar 14.@@Goren MZ, Kucukibrahimoglu E, Berkman K, Terzioglu B: Fluoxetine partly exerts its actions through GABA: a neurochemical evidence. Neurochem Res. 2007 Sep;32(9):1559-65. Epub 2007 May 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Vet_approved	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1		Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway	drug_metabolism; drug_action		11130	46507902	D00823	PA449673		DAP000186	Fluoxetine	CHEMBL41	4493
DB00472	Fluoxetine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	18083778; 11082448; 9050900	"Chanrion B, Mannoury la Cour C, Gavarini S, Seimandi M, Vincent L, Pujol JF, Bockaert J, Marin P, Millan MJ: Inverse agonist and neutral antagonist actions of antidepressants at recombinant and native 5-hydroxytryptamine2C receptors: differential modulation of cell surface expression and signal transduction. Mol Pharmacol. 2008 Mar;73(3):748-57. Epub 2007 Dec 14.@@Cryan JF, Lucki I: Antidepressant-like behavioral effects mediated by 5-Hydroxytryptamine(2C) receptors. J Pharmacol Exp Ther. 2000 Dec;295(3):1120-6.@@Ni YG, Miledi R: Blockage of 5HT2C serotonin receptors by fluoxetine (Prozac). Proc Natl Acad Sci U S A. 1997 Mar 4;94(5):2036-40. doi: 10.1073/pnas.94.5.2036."	Approved; Vet_approved	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1		Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway	drug_metabolism; drug_action		11130	46507902	D00823	PA449673		DAP000186	Fluoxetine	CHEMBL41	4493
DB00472	Fluoxetine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	9050901	"Garcia-Colunga J, Awad JN, Miledi R: Blockage of muscle and neuronal nicotinic acetylcholine receptors by fluoxetine (Prozac). Proc Natl Acad Sci U S A. 1997 Mar 4;94(5):2041-4."	Approved; Vet_approved	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1		Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway	drug_metabolism; drug_action		11130	46507902	D00823	PA449673		DAP000186	Fluoxetine	CHEMBL41	4493
DB00472	Fluoxetine	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	antagonist	9050901	"Garcia-Colunga J, Awad JN, Miledi R: Blockage of muscle and neuronal nicotinic acetylcholine receptors by fluoxetine (Prozac). Proc Natl Acad Sci U S A. 1997 Mar 4;94(5):2041-4."	Approved; Vet_approved	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Cytochrome P-450 CYP2D6 Inhibitors; Nicotinic Antagonists; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Antidepressive Agents, Second-Generation; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1		Fluoxetine Metabolism Pathway; Fluoxetine Action Pathway	drug_metabolism; drug_action		11130	46507902	D00823	PA449673		DAP000186	Fluoxetine	CHEMBL41	4493
DB00473	Hexylcaine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Amines; Cyclohexanes; Cycloparaffins	CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1						46506241		PA164746489		DAP000506	Hexylcaine	CHEMBL1197	26879
DB00473	Hexylcaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	15148257	"Chevrier P, Vijayaragavan K, Chahine M: Differential modulation of Nav1.7 and Nav1.8 peripheral nerve sodium channels by the local anesthetic lidocaine. Br J Pharmacol. 2004 Jun;142(3):576-84. doi: 10.1038/sj.bjp.0705796. Epub 2004 May 17."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Amines; Cyclohexanes; Cycloparaffins	CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1						46506241		PA164746489		DAP000506	Hexylcaine	CHEMBL1197	26879
DB00475	Chlordiazepoxide	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Ribonucleotides; Nucleotides; Psycholeptics; Cytosine Nucleotides; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Pyrimidine Nucleotides; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1					10260	46505044	D00267	PA448932		DAP000084	Chlordiazepoxide	CHEMBL451	2356
DB00475	Chlordiazepoxide	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Ribonucleotides; Nucleotides; Psycholeptics; Cytosine Nucleotides; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Pyrimidine Nucleotides; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1					10260	46505044	D00267	PA448932		DAP000084	Chlordiazepoxide	CHEMBL451	2356
DB00476	Duloxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	15695064; 16032412; 16650830; 17335951; 14744476; 9669506; 12481192; 2784100; 15316838; 18408530; 15892657; 20432324; 19480470; 16199241	"Chen F, Larsen MB, Sanchez C, Wiborg O: The S-enantiomer of R,S-citalopram, increases inhibitor binding to the human serotonin transporter by an allosteric mechanism. Comparison with other serotonin transporter inhibitors. Eur Neuropsychopharmacol. 2005 Mar;15(2):193-8.@@Troelsen KB, Nielsen EO, Mirza NR: Chronic treatment with duloxetine is necessary for an anxiolytic-like response in the mouse zero maze: the role of the serotonin transporter. Psychopharmacology (Berl). 2005 Oct;181(4):741-50. Epub 2005 Sep 29.@@Gould GG, Javors MA, Frazer A: Effect of chronic administration of duloxetine on serotonin and norepinephrine transporter binding sites in rat brain. Biol Psychiatry. 2007 Jan 15;61(2):210-5. Epub 2006 May 2.@@Mirza NR, Nielsen EO, Troelsen KB: Serotonin transporter density and anxiolytic-like effects of antidepressants in mice. Prog Neuropsychopharmacol Biol Psychiatry. 2007 May 9;31(4):858-66. Epub 2007 Jan 30.@@Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Beique JC, Lavoie N, de Montigny C, Debonnel G: Affinities of venlafaxine and various reuptake inhibitors for the serotonin and norepinephrine transporters. Eur J Pharmacol. 1998 May 15;349(1):129-32.@@Karpa KD, Cavanaugh JE, Lakoski JM: Duloxetine pharmacology: profile of a dual monoamine modulator. CNS Drug Rev. 2002 Winter;8(4):361-76.@@van Groeningen CJ, Peters GJ, Pinedo HM: Lack of effectiveness of combined 5-fluorouracil and leucovorin in patients with 5-fluorouracil-resistant advanced colorectal cancer. Eur J Cancer Clin Oncol. 1989 Jan;25(1):45-9.@@Jost W, Marsalek P: Duloxetine: mechanism of action at the lower urinary tract and Onuf's nucleus. Clin Auton Res. 2004 Aug;14(4):220-7.@@Trivedi MH, Desaiah D, Ossanna MJ, Pritchett YL, Brannan SK, Detke MJ: Clinical evidence for serotonin and norepinephrine reuptake inhibition of duloxetine. Int Clin Psychopharmacol. 2008 May;23(3):161-9. doi: 10.1097/YIC.0b013e3282f41d7e.@@Bymaster FP, Lee TC, Knadler MP, Detke MJ, Iyengar S: The dual transporter inhibitor duloxetine: a review of its preclinical pharmacology, pharmacokinetic profile, and clinical results in depression. Curr Pharm Des. 2005;11(12):1475-93.@@Khullar V, Cardozo L, Dmochowski R: Mixed incontinence: current evidence and future perspectives. Neurourol Urodyn. 2010 Apr;29(4):618-22. doi: 10.1002/nau.20907.@@Carter NJ, McCormack PL: Duloxetine: a review of its use in the treatment of generalized anxiety disorder. CNS Drugs. 2009;23(6):523-41. doi: 10.2165/00023210-200923060-00006.@@Hunziker ME, Suehs BT, Bettinger TL, Crismon ML: Duloxetine hydrochloride: a new dual-acting medication for the treatment of major depressive disorder. Clin Ther. 2005 Aug;27(8):1126-43."	Approved	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Thiophenes; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1					20171	46507937		PA10066		DAP000494	Duloxetine	CHEMBL1175	72625
DB00476	Duloxetine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11752352; 16650830; 14744476; 9669506; 15184278; 16139169; 17335951; 12481192; 2784100; 15316838; 18408530; 15892657; 20432324; 19480470; 16199241	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gould GG, Javors MA, Frazer A: Effect of chronic administration of duloxetine on serotonin and norepinephrine transporter binding sites in rat brain. Biol Psychiatry. 2007 Jan 15;61(2):210-5. Epub 2006 May 2.@@Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Beique JC, Lavoie N, de Montigny C, Debonnel G: Affinities of venlafaxine and various reuptake inhibitors for the serotonin and norepinephrine transporters. Eur J Pharmacol. 1998 May 15;349(1):129-32.@@Vincent S, Bieck PR, Garland EM, Loghin C, Bymaster FP, Black BK, Gonzales C, Potter WZ, Robertson D: Clinical assessment of norepinephrine transporter blockade through biochemical and pharmacological profiles. Circulation. 2004 Jun 29;109(25):3202-7. Epub 2004 Jun 7.@@Schou M, Halldin C, Pike VW, Mozley PD, Dobson D, Innis RB, Farde L, Hall H: Post-mortem human brain autoradiography of the norepinephrine transporter using (S,S)-[18F]FMeNER-D2. Eur Neuropsychopharmacol. 2005 Oct;15(5):517-20. Epub 2005 Apr 7.@@Mirza NR, Nielsen EO, Troelsen KB: Serotonin transporter density and anxiolytic-like effects of antidepressants in mice. Prog Neuropsychopharmacol Biol Psychiatry. 2007 May 9;31(4):858-66. Epub 2007 Jan 30.@@Karpa KD, Cavanaugh JE, Lakoski JM: Duloxetine pharmacology: profile of a dual monoamine modulator. CNS Drug Rev. 2002 Winter;8(4):361-76.@@van Groeningen CJ, Peters GJ, Pinedo HM: Lack of effectiveness of combined 5-fluorouracil and leucovorin in patients with 5-fluorouracil-resistant advanced colorectal cancer. Eur J Cancer Clin Oncol. 1989 Jan;25(1):45-9.@@Jost W, Marsalek P: Duloxetine: mechanism of action at the lower urinary tract and Onuf's nucleus. Clin Auton Res. 2004 Aug;14(4):220-7.@@Trivedi MH, Desaiah D, Ossanna MJ, Pritchett YL, Brannan SK, Detke MJ: Clinical evidence for serotonin and norepinephrine reuptake inhibition of duloxetine. Int Clin Psychopharmacol. 2008 May;23(3):161-9. doi: 10.1097/YIC.0b013e3282f41d7e.@@Bymaster FP, Lee TC, Knadler MP, Detke MJ, Iyengar S: The dual transporter inhibitor duloxetine: a review of its preclinical pharmacology, pharmacokinetic profile, and clinical results in depression. Curr Pharm Des. 2005;11(12):1475-93.@@Khullar V, Cardozo L, Dmochowski R: Mixed incontinence: current evidence and future perspectives. Neurourol Urodyn. 2010 Apr;29(4):618-22. doi: 10.1002/nau.20907.@@Carter NJ, McCormack PL: Duloxetine: a review of its use in the treatment of generalized anxiety disorder. CNS Drugs. 2009;23(6):523-41. doi: 10.2165/00023210-200923060-00006.@@Hunziker ME, Suehs BT, Bettinger TL, Crismon ML: Duloxetine hydrochloride: a new dual-acting medication for the treatment of major depressive disorder. Clin Ther. 2005 Aug;27(8):1126-43."	Approved	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Thiophenes; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1					20171	46507937		PA10066		DAP000494	Duloxetine	CHEMBL1175	72625
DB00476	Duloxetine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	17139284; 17016423; 19480470; 18973814; 16199241	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Carter NJ, McCormack PL: Duloxetine: a review of its use in the treatment of generalized anxiety disorder. CNS Drugs. 2009;23(6):523-41. doi: 10.2165/00023210-200923060-00006.@@Pereira P, Gianesini J, da Silva Barbosa C, Cassol GF, Von Borowski RG, Kahl VF, Cappelari SE, Picada JN: Neurobehavioral and genotoxic parameters of duloxetine in mice using the inhibitory avoidance task and comet assay as experimental models. Pharmacol Res. 2009 Jan;59(1):57-61. doi: 10.1016/j.phrs.2008.09.014. Epub 2008 Oct 5.@@Hunziker ME, Suehs BT, Bettinger TL, Crismon ML: Duloxetine hydrochloride: a new dual-acting medication for the treatment of major depressive disorder. Clin Ther. 2005 Aug;27(8):1126-43."	Approved	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Thiophenes; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1					20171	46507937		PA10066		DAP000494	Duloxetine	CHEMBL1175	72625
DB00477	Chlorpromazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11103886; 11873706; 15694263; 16867246; 11752352; 20643630; 7908055; 8524985	"Oades RD, Rao ML, Bender S, Sartory G, Muller BW: Neuropsychological and conditioned blocking performance in patients with schizophrenia: assessment of the contribution of neuroleptic dose, serum levels and dopamine D2-receptor occupancy. Behav Pharmacol. 2000 Jun;11(3-4):317-30.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Wu S, Xing Q, Gao R, Li X, Gu N, Feng G, He L: Response to chlorpromazine treatment may be associated with polymorphisms of the DRD2 gene in Chinese schizophrenic patients. Neurosci Lett. 2005 Mar 7;376(1):1-4. Epub 2004 Dec 2.@@Wu SN, Gao R, Xing QH, Li HF, Shen YF, Gu NF, Feng GY, He L: Association of DRD2 polymorphisms and chlorpromazine-induced extrapyramidal syndrome in Chinese schizophrenic patients. Acta Pharmacol Sin. 2006 Aug;27(8):966-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5.@@Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10.@@Roth BL, Tandra S, Burgess LH, Sibley DR, Meltzer HY: D4 dopamine receptor binding affinity does not distinguish between typical and atypical antipsychotic drugs. Psychopharmacology (Berl). 1995 Aug;120(3):365-8."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2899826; 6189542; 91313; 687395; 25190	"Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12.@@Church MK, Young KD: The characteristics of inhibition of histamine release from human lung fragments by sodium cromoglycate, salbutamol and chlorpromazine. Br J Pharmacol. 1983 Apr;78(4):671-9.@@Johnson HG, Miller MD: Inhibition of histamine release and ionophore-induced calcium flux in rat mast cells by lidocaine and chlorpromazine. Agents Actions. 1979 Aug;9(3):239-43.@@Palmer GC, Wagner HR, Palmer SJ, Manian AA: Histamine-, norepinephrine-, and dopamine-sensitive central adenylate cyclases: effects of chlorpromazine derivatives and butaclamol. Arch Int Pharmacodyn Ther. 1978 Jun;233(2):314-25.@@Ruffolo RR, Patil PN: Kinetics of blockade of different receptors by chlorpromazine in rabbit stomach strips. Eur J Pharmacol. 1978 Mar 15;48(2):151-7."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000581	DRD3	P35462	DRD3_HUMAN	inhibitor	8301582	"Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	binder	7908055	"Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0004881	HTR2A	P28335	5HT2C_HUMAN	binder	7908055	"Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	15765260	"Davies MA, Compton-Toth BA, Hufeisen SJ, Meltzer HY, Roth BL: The highly efficacious actions of N-desmethylclozapine at muscarinic receptors are unique and not a common property of either typical or atypical antipsychotic drugs: is M1 agonism a pre-requisite for mimicking clozapine's actions? Psychopharmacology (Berl). 2005 Apr;178(4):451-60. Epub 2004 Oct 13."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000650	HTR7	P34969	5HT7R_HUMAN	binder	7908055	"Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00477	Chlorpromazine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder	11179435	"Nguyen T, Shapiro DA, George SR, Setola V, Lee DK, Cheng R, Rauser L, Lee SP, Lynch KR, Roth BL, O'Dowd BF: Discovery of a novel member of the histamine receptor family. Mol Pharmacol. 2001 Mar;59(3):427-33."	Approved; Investigational; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; BSEP/ABCB11 Inhibitors; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Dopamine Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Neurotransmitter Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2					20237	46508395	D00270	PA448964		DAP000374	Chlorpromazine	CHEMBL71	2403
DB00480	Lenalidomide	BE0004755	CRBN	Q96SW2	CRBN_HUMAN	inhibitor	22966948	"Zhu YX, Kortuem KM, Stewart AK: Molecular mechanism of action of immune-modulatory drugs thalidomide, lenalidomide and pomalidomide in multiple myeloma. Leuk Lymphoma. 2013 Apr;54(4):683-7. doi: 10.3109/10428194.2012.728597. Epub 2012 Sep 28."	Approved	Isoindolones	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Piperidones; Immunologic Factors; Angiogenesis Modulating Agents; Phthalic Acids; Thalidomide Analog; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Isoindoles; Imides"	NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O					20185	46505725	D04687	PA162363968		DAP001255	Lenalidomide	CHEMBL848	342369
DB00480	Lenalidomide	BE0003517	TNFSF11	O14788	TNF11_HUMAN	inhibitor	19370685; 17369076	"Akobeng AK, Stokkers PC: Thalidomide and thalidomide analogues for maintenance of remission in Crohn's disease. Cochrane Database Syst Rev. 2009 Apr 15;(2):CD007351. doi: 10.1002/14651858.CD007351.pub2.@@Melchert M, List A: The thalidomide saga. Int J Biochem Cell Biol. 2007;39(7-8):1489-99. Epub 2007 Jan 30."	Approved	Isoindolones	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Piperidones; Immunologic Factors; Angiogenesis Modulating Agents; Phthalic Acids; Thalidomide Analog; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Isoindoles; Imides"	NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O					20185	46505725	D04687	PA162363968		DAP001255	Lenalidomide	CHEMBL848	342369
DB00480	Lenalidomide	BE0003403	CDH5	P33151	CADH5_HUMAN	antagonist	18805433	"Lu L, Payvandi F, Wu L, Zhang LH, Hariri RJ, Man HW, Chen RS, Muller GW, Hughes CC, Stirling DI, Schafer PH, Bartlett JB: The anti-cancer drug lenalidomide inhibits angiogenesis and metastasis via multiple inhibitory effects on endothelial cell function in normoxic and hypoxic conditions. Microvasc Res. 2009 Mar;77(2):78-86. doi: 10.1016/j.mvr.2008.08.003. Epub 2008 Sep 4."	Approved	Isoindolones	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Piperidones; Immunologic Factors; Angiogenesis Modulating Agents; Phthalic Acids; Thalidomide Analog; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Isoindoles; Imides"	NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O					20185	46505725	D04687	PA162363968		DAP001255	Lenalidomide	CHEMBL848	342369
DB00481	Raloxifene	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	10068418; 10376571; 10418979; 10477535; 10485477; 11752352; 10507743; 16951478; 18778124	"Khovidhunkit W, Shoback DM: Clinical effects of raloxifene hydrochloride in women. Ann Intern Med. 1999 Mar 2;130(5):431-9.@@Cummings SR, Eckert S, Krueger KA, Grady D, Powles TJ, Cauley JA, Norton L, Nickelsen T, Bjarnason NH, Morrow M, Lippman ME, Black D, Glusman JE, Costa A, Jordan VC: The effect of raloxifene on risk of breast cancer in postmenopausal women: results from the MORE randomized trial. Multiple Outcomes of Raloxifene Evaluation. JAMA. 1999 Jun 16;281(23):2189-97.@@Bryant HU, Glasebrook AL, Yang NN, Sato M: An estrogen receptor basis for raloxifene action in bone. J Steroid Biochem Mol Biol. 1999 Apr-Jun;69(1-6):37-44.@@Figtree GA, Lu Y, Webb CM, Collins P: Raloxifene acutely relaxes rabbit coronary arteries in vitro by an estrogen receptor-dependent and nitric oxide-dependent mechanism. Circulation. 1999 Sep 7;100(10):1095-101.@@Schafer JI, Liu H, Tonetti DA, Jordan VC: The interaction of raloxifene and the active metabolite of the antiestrogen EM-800 (SC 5705) with the human estrogen receptor. Cancer Res. 1999 Sep 1;59(17):4308-13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Scott JA, Da Camara CC, Early JE: Raloxifene: a selective estrogen receptor modulator. Am Fam Physician. 1999 Sep 15;60(4):1131-9.@@Matsumoto T: [Selective estrogen receptor modulators (SERMs)]. Clin Calcium. 2006 Sep;16(9):1520-25.@@Moen MD, Keating GM: Raloxifene: a review of its use in the prevention of invasive breast cancer. Drugs. 2008;68(14):2059-83."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2					11811	46506514		PA451221		DAP000792	Raloxifene	CHEMBL81	72143
DB00481	Raloxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	10418979; 11500849; 11810032; 11861516; 12097269; 11752352	"Bryant HU, Glasebrook AL, Yang NN, Sato M: An estrogen receptor basis for raloxifene action in bone. J Steroid Biochem Mol Biol. 1999 Apr-Jun;69(1-6):37-44.@@Iannone MA, Consler TG, Pearce KH, Stimmel JB, Parks DJ, Gray JG: Multiplexed molecular interactions of nuclear receptors using fluorescent microspheres. Cytometry. 2001 Aug 1;44(4):326-37.@@Zhou W, Koldzic-Zivanovic N, Clarke CH, de Beun R, Wassermann K, Bury PS, Cunningham KA, Thomas ML: Selective estrogen receptor modulator effects in the rat brain. Neuroendocrinology. 2002 Jan;75(1):24-33.@@Sun J, Huang YR, Harrington WR, Sheng S, Katzenellenbogen JA, Katzenellenbogen BS: Antagonists selective for estrogen receptor alpha. Endocrinology. 2002 Mar;143(3):941-7.@@Kim IY, Seong DH, Kim BC, Lee DK, Remaley AT, Leach F, Morton RA, Kim SJ: Raloxifene, a selective estrogen receptor modulator, induces apoptosis in androgen-responsive human prostate cancer cell line LNCaP through an androgen-independent pathway. Cancer Res. 2002 Jul 1;62(13):3649-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2					11811	46506514		PA451221		DAP000792	Raloxifene	CHEMBL81	72143
DB00481	Raloxifene	BE0008982	SERPINB9	P50453	SPB9_HUMAN		14617632	"Krieg AJ, Krieg SA, Ahn BS, Shapiro DJ: Interplay between estrogen response element sequence and ligands controls in vivo binding of estrogen receptor to regulated genes. J Biol Chem. 2004 Feb 6;279(6):5025-34. Epub 2003 Nov 14."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2					11811	46506514		PA451221		DAP000792	Raloxifene	CHEMBL81	72143
DB00481	Raloxifene	BE0008981	TFF1	P04155	TFF1_HUMAN		14617632	"Krieg AJ, Krieg SA, Ahn BS, Shapiro DJ: Interplay between estrogen response element sequence and ligands controls in vivo binding of estrogen receptor to regulated genes. J Biol Chem. 2004 Feb 6;279(6):5025-34. Epub 2003 Nov 14."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2B6 Inhibitors; Stilbenes; Benzylidene Compounds; OATP1B1/SLCO1B1 Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Selective Estrogen Receptor Modulators; OATP1B3 substrates; UGT1A1 Substrates; Estrogen Agonist-antagonists; Bone Density Conservation Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2					11811	46506514		PA451221		DAP000792	Raloxifene	CHEMBL81	72143
DB00482	Celecoxib	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents"	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F		Celecoxib Action Pathway; Celecoxib Metabolism Pathway	drug_metabolism; drug_action		11865	46505596	D00567	PA448871		DAP000737	Celecoxib	CHEMBL118	140587
DB00482	Celecoxib	BE0010959	CDH11	P55287	CAD11_HUMAN	inhibitor	24681547	"Assefnia S, Dakshanamurthy S, Guidry Auvil JM, Hampel C, Anastasiadis PZ, Kallakury B, Uren A, Foley DW, Brown ML, Shapiro L, Brenner M, Haigh D, Byers SW: Cadherin-11 in poor prognosis malignancies and rheumatoid arthritis: common target, common therapies. Oncotarget. 2014 Mar 30;5(6):1458-74. doi: 10.18632/oncotarget.1538."	Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents"	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F		Celecoxib Action Pathway; Celecoxib Metabolism Pathway	drug_metabolism; drug_action		11865	46505596	D00567	PA448871		DAP000737	Celecoxib	CHEMBL118	140587
DB00482	Celecoxib	BE0001193	PDPK1	O15530	PDPK1_HUMAN	inhibitor	14973075; 15205346; 16060857; 16455452; 16887935	"Kulp SK, Yang YT, Hung CC, Chen KF, Lai JP, Tseng PH, Fowble JW, Ward PJ, Chen CS: 3-phosphoinositide-dependent protein kinase-1/Akt signaling represents a major cyclooxygenase-2-independent target for celecoxib in prostate cancer cells. Cancer Res. 2004 Feb 15;64(4):1444-51.@@Zhu J, Huang JW, Tseng PH, Yang YT, Fowble J, Shiau CW, Shaw YJ, Kulp SK, Chen CS: From the cyclooxygenase-2 inhibitor celecoxib to a novel class of 3-phosphoinositide-dependent protein kinase-1 inhibitors. Cancer Res. 2004 Jun 15;64(12):4309-18. doi: 10.1158/0008-5472.CAN-03-4063.@@Tong Z, Wu X, Ovcharenko D, Zhu J, Chen CS, Kehrer JP: Neutrophil gelatinase-associated lipocalin as a survival factor. Biochem J. 2005 Oct 15;391(Pt 2):441-8.@@Li J, Zhu J, Melvin WS, Bekaii-Saab TS, Chen CS, Muscarella P: A structurally optimized celecoxib derivative inhibits human pancreatic cancer cell growth. J Gastrointest Surg. 2006 Feb;10(2):207-14.@@Tseng PH, Wang YC, Weng SC, Weng JR, Chen CS, Brueggemeier RW, Shapiro CL, Chen CY, Dunn SE, Pollak M, Chen CS: Overcoming trastuzumab resistance in HER2-overexpressing breast cancer cells by using a novel celecoxib-derived phosphoinositide-dependent kinase-1 inhibitor. Mol Pharmacol. 2006 Nov;70(5):1534-41. Epub 2006 Aug 3."	Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cyclooxygenase-2 (COX-2) Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; BCRP/ABCG2 Substrates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Cyclooxygenase Inhibitors; Antineoplastic and Immunomodulating Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Pyrazoles; BSEP/ABCB11 Inhibitors; Benzenesulfonamides; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Sulfur Compounds; Antirheumatic Agents"	CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F		Celecoxib Action Pathway; Celecoxib Metabolism Pathway	drug_metabolism; drug_action		11865	46505596	D00567	PA448871		DAP000737	Celecoxib	CHEMBL118	140587
DB00483	Gallamine triethiodide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	15937215; 11426849; 17588565; 9007524; 7522861; 18552124; 20083608; 18305010; 17944454; 11752352	"Huang XP, Prilla S, Mohr K, Ellis J: Critical amino acid residues of the common allosteric site on the M2 muscarinic acetylcholine receptor: more similarities than differences between the structurally divergent agents gallamine and bis(ammonio)alkane-type hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium]dibromide. Mol Pharmacol. 2005 Sep;68(3):769-78. Epub 2005 Jun 3.@@De Vries B, Roffel AF, Kooistra JM, Meurs H, Zaagsma J: Effects of fenoterol on beta-adrenoceptor and muscarinic M2 receptor function in bovine tracheal smooth muscle. Eur J Pharmacol. 2001 May 11;419(2-3):253-9.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Ten Berge RE, Krikke M, Teisman AC, Roffel AF, Zaagsma J: Dysfunctional muscarinic M2 autoreceptors in vagally induced bronchoconstriction of conscious guinea pigs after the early allergic reaction. Eur J Pharmacol. 1996 Dec 27;318(1):131-9.@@Spina D, Minshall E, Goldie RG, Page CP: The effect of allosteric antagonists in modulating muscarinic M2-receptor function in guinea-pig isolated trachea. Br J Pharmacol. 1994 Jul;112(3):901-5.@@Redka DS, Pisterzi LF, Wells JW: Binding of orthosteric ligands to the allosteric site of the M(2) muscarinic cholinergic receptor. Mol Pharmacol. 2008 Sep;74(3):834-43. doi: 10.1124/mol.108.048074. Epub 2008 Jun  13.@@Maier-Peuschel M, Frolich N, Dees C, Hommers LG, Hoffmann C, Nikolaev VO, Lohse MJ: A fluorescence resonance energy transfer-based M2 muscarinic receptor sensor reveals rapid kinetics of allosteric modulation. J Biol Chem. 2010 Mar 19;285(12):8793-800. doi: 10.1074/jbc.M109.098517. Epub 2010 Jan 18.@@Ehlert FJ, Griffin MT: Two-state models and the analysis of the allosteric effect of gallamine at the M2 muscarinic receptor. J Pharmacol Exp Ther. 2008 Jun;325(3):1039-60. doi: 10.1124/jpet.108.136960. Epub 2008 Feb 27.@@Elsinghorst PW, Cieslik JS, Mohr K, Trankle C, Gutschow M: First gallamine-tacrine hybrid: design and characterization at cholinesterases and the M2 muscarinic receptor. J Med Chem. 2007 Nov 15;50(23):5685-95. Epub 2007 Oct 18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Anticholinergic Agents; Muscarinic Antagonists; Quaternary Ammonium Compounds; Neuromuscular Agents; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC					6473	46508651		PA164745088		DAP001127	Gallamine_triethiodide	CHEMBL1200993	4639
DB00483	Gallamine triethiodide	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 1337082	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Aoshima H, Inoue Y, Hori K: Inhibition of ionotropic neurotransmitter receptors by antagonists: strategy to estimate the association and the dissociation rate constant of antagonists with very strong affinity to the receptors. J Biochem. 1992 Oct;112(4):495-502."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Anticholinergic Agents; Muscarinic Antagonists; Quaternary Ammonium Compounds; Neuromuscular Agents; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC					6473	46508651		PA164745088		DAP001127	Gallamine_triethiodide	CHEMBL1200993	4639
DB00483	Gallamine triethiodide	BE0000247	CHRM5	P08912	ACM5_HUMAN		16641315	"Prilla S, Schrobang J, Ellis J, Holtje HD, Mohr K: Allosteric interactions with muscarinic acetylcholine receptors: complex role of the conserved tryptophan M2422Trp in a critical cluster of amino acids for baseline affinity, subtype selectivity, and cooperativity. Mol Pharmacol. 2006 Jul;70(1):181-93. Epub 2006 Apr 26."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Anticholinergic Agents; Muscarinic Antagonists; Quaternary Ammonium Compounds; Neuromuscular Agents; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Onium Compounds; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents	[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC					6473	46508651		PA164745088		DAP001127	Gallamine_triethiodide	CHEMBL1200993	4639
DB00486	Nabilone	BE0000095	CNR2	P34972	CNR2_HUMAN	partial agonist	11786493; 17450170; 17139494; 15221424; 11698062	"Conti S, Costa B, Colleoni M, Parolaro D, Giagnoni G: Antiinflammatory action of endocannabinoid palmitoylethanolamide and the synthetic cannabinoid nabilone in a model of acute inflammation in the rat. Br J Pharmacol. 2002 Jan;135(1):181-7.@@Mendizabal VE, Adler-Graschinsky E: Cannabinoids as therapeutic agents in cardiovascular disease: a tale of passions and illusions. Br J Pharmacol. 2007 Jun;151(4):427-40. Epub 2007 Apr 23.@@Davis M, Maida V, Daeninck P, Pergolizzi J: The emerging role of cannabinoid neuromodulators in symptom management. Support Care Cancer. 2007 Jan;15(1):63-71. Epub 2006 Dec 1.@@Kraft B, Kress HG: [Cannabinoids and the immune system. Of men, mice and cells]. Schmerz. 2004 Jun;18(3):203-10.@@Darmani NA: The cannabinoid CB1 receptor antagonist SR 141716A reverses the antiemetic and motor depressant actions of WIN 55, 212-2. Eur J Pharmacol. 2001 Oct 26;430(1):49-58."	Approved; Investigational	Naphthopyranones	Organic compounds; Organoheterocyclic compounds; Naphthopyrans; Naphthopyranones	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Miscellaneous Antiemetics; Antiemetics	[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC					2071	46505171	D05099	PA164746998		DAP000067	Nabilone	CHEMBL947	31447
DB00490	Buspirone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12781354; 11421254; 11224194; 14522358; 16214127	"Malt EA, Olafsson S, Aakvaag A, Lund A, Ursin H: Altered dopamine D2 receptor function in fibromyalgia patients: a neuroendocrine study with buspirone in women with fibromyalgia compared to female population based controls. J Affect Disord. 2003 Jun;75(1):77-82.@@Boido A, Boido CC, Sparatore F: Synthesis and pharmacological evaluation of aryl/heteroaryl piperazinyl alkyl benzotriazoles as ligands for some serotonin and dopamine receptor subtypes. Farmaco. 2001 Apr;56(4):263-75.@@Nader MA, Hannemann M: Interactions of buspirone or gepirone with nicotine on schedule-controlled behavior of pigeons. Behav Pharmacol. 1993 Jun;4(3):263-268.@@Pache DM, Fernandez-Perez S, Sewell RD: Buspirone differentially modifies short-term memory function in a combined delayed matching/non-matching to position task. Eur J Pharmacol. 2003 Sep 23;477(3):205-11.@@Fernandez-Perez S, Pache DM, Sewell RD: Co-administration of fluoxetine and WAY100635 improves short-term memory function. Eur J Pharmacol. 2005 Oct 17;522(1-3):78-83. Epub 2005 Oct 7."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Piperazines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Azaspirodecanedione Derivatives; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1					1890	46508113	D07593	PA448689		DAP000031	Buspirone	CHEMBL49	1827
DB00490	Buspirone	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	26535760	Howland RH: Buspirone: Back to the Future. J Psychosoc Nurs Ment Health Serv. 2015 Nov;53(11):21-4. doi: 10.3928/02793695-20151022-01.	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Piperazines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Azaspirodecanedione Derivatives; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1					1890	46508113	D07593	PA448689		DAP000031	Buspirone	CHEMBL49	1827
DB00491	Miglitol	BE0000876	GAA	P10253	LYAG_HUMAN	antagonist	19818342; 19085811	"Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15."	Approved	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO						46504492	D00625	PA164776726		DAP000712	Miglitol	CHEMBL1561	30009
DB00491	Miglitol	BE0004698	GANAB	Q14697	GANAB_HUMAN	antagonist	19818342; 19085811	"Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15."	Approved	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO						46504492	D00625	PA164776726		DAP000712	Miglitol	CHEMBL1561	30009
DB00491	Miglitol	BE0004699	GANC	Q8TET4	GANC_HUMAN	antagonist	19818342; 19085811	"Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Hirata A, Igarashi M, Iwai H, Tominaga M: Effect of miglitol, an alpha-glucosidase inhibitor, on atherogenic outcomes in balloon-injured diabetic rats. Horm Metab Res. 2009 Mar;41(3):213-20. doi: 10.1055/s-0028-1105919. Epub 2008 Dec 15."	Approved	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO						46504492	D00625	PA164776726		DAP000712	Miglitol	CHEMBL1561	30009
DB00491	Miglitol	BE0000837	MGAM	O43451	MGA_HUMAN	antagonist	9951949; 16817895; 19818342; 11752352	"Mooradian AD, Thurman JE: Drug therapy of postprandial hyperglycaemia. Drugs. 1999 Jan;57(1):19-29.@@Rossi EJ, Sim L, Kuntz DA, Hahn D, Johnston BD, Ghavami A, Szczepina MG, Kumar NS, Sterchi EE, Nichols BL, Pinto BM, Rose DR: Inhibition of recombinant human maltase glucoamylase by salacinol and derivatives. FEBS J. 2006 Jun;273(12):2673-83.@@Fukaya N, Mochizuki K, Tanaka Y, Kumazawa T, Jiuxin Z, Fuchigami M, Goda T: The alpha-glucosidase inhibitor miglitol delays the development of diabetes and dysfunctional insulin secretion in pancreatic beta-cells in OLETF rats. Eur J Pharmacol. 2009 Dec 10;624(1-3):51-7. doi: 10.1016/j.ejphar.2009.09.048. Epub 2009 Oct 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Drugs Used in Diabetes; Imino Pyranoses; Piperidines; Glycoside Hydrolase Inhibitors; Oral Hypoglycemics; Enzyme Inhibitors; Hypoglycemia-Associated Agents; Carbohydrates; Imines; Alkaloids; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Imino Sugars	OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO						46504492	D00625	PA164776726		DAP000712	Miglitol	CHEMBL1561	30009
DB00492	Fosinopril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 2836111; 11030016; 11329095	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ondetti MA: Structural relationships of angiotensin converting-enzyme inhibitors to pharmacologic activity. Circulation. 1988 Jun;77(6 Pt 2):I74-8.@@Piepho RW: Overview of the angiotensin-converting-enzyme inhibitors. Am J Health Syst Pharm. 2000 Oct 1;57 Suppl 1:S3-7.@@Sharma S, Deitchman D, Eni JS, Gelperin K, Ilgenfritz JP, Blumenthal M: The hemodynamic effects of long-term ACE inhibition with fosinopril in patients with heart failure. Fosinopril Hemodynamics Study Group. Am J Ther. 1999 Jul;6(4):181-9."	Approved			"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Organophosphorus Compounds; Agents causing angioedema; Antihypertensive Agents; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Amino Acids; Drugs causing inadvertant photosensitivity; Phosphinic Acids; Imino Acids; Amino Acids, Cyclic"	CCC(=O)O[C@@H](OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C		Fosinopril Action Pathway; Fosinopril Metabolism Pathway	drug_metabolism; drug_action		1744	46506495	D07992	PA449710		DAP000582	Fosinopril	CHEMBL3039598	50166
DB00493	Cefotaxime	BE0001066	SLC22A6	Q4U2R8	S22A6_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00493	Cefotaxime	BE0003645	SLC22A8	Q8TCC7	S22A8_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00493	Cefotaxime	BE0000879	SLC22A11	Q9NSA0	S22AB_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00493	Cefotaxime	BE0003646	SLC22A7	Q9Y694	S22A7_HUMAN		12650826	"Khamdang S, Takeda M, Babu E, Noshiro R, Onozato ML, Tojo A, Enomoto A, Huang XL, Narikawa S, Anzai N, Piyachaturawat P, Endou H: Interaction of human and rat organic anion transporter 2 with various cephalosporin antibiotics. Eur J Pharmacol. 2003 Mar 28;465(1-2):1-7."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00493	Cefotaxime	BE0001018	SLC15A1	P46059	S15A1_HUMAN		15567297	"Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00493	Cefotaxime	BE0001134	SLC15A2	Q16348	S15A2_HUMAN		21741846	"Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub  2011 Jun 16."	Approved	Cephalosporin 3'-esters	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Cephacetrile; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; Third-Generation Cephalosporins; Agents that reduce seizure threshold; Cephalosporins; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; Sulfur Compounds; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use"	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11268	46506911	D07647	PA448852		DAP000146	Cefotaxime	CHEMBL1730	2186
DB00494	Entacapone	BE0002089	COMT	P21964	COMT_HUMAN	inhibitor	11752352; 11440283; 10981253; 10439935; 11939936; 12876237; 12538800; 11873938; 10882160; 9808337	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Najib J: Entacapone: a catechol-O-methyltransferase inhibitor for the adjunctive treatment of Parkinson's disease. Clin Ther. 2001 Jun;23(6):802-32; discussion 771.@@Chong BS, Mersfelder TL: Entacapone. Ann Pharmacother. 2000 Sep;34(9):1056-65.@@Holm KJ, Spencer CM: Entacapone. A review of its use in Parkinson's disease. Drugs. 1999 Jul;58(1):159-77.@@Poewe WH, Deuschl G, Gordin A, Kultalahti ER, Leinonen M: Efficacy and safety of entacapone in Parkinson's disease patients with suboptimal levodopa response: a 6-month randomized placebo-controlled double-blind study in Germany and Austria (Celomen study). Acta Neurol Scand. 2002 Apr;105(4):245-55.@@Brooks DJ, Sagar H: Entacapone is beneficial in both fluctuating and non-fluctuating patients with Parkinson's disease: a randomised, placebo controlled, double blind, six month study. J Neurol Neurosurg Psychiatry. 2003 Aug;74(8):1071-9.@@Forsberg M, Lehtonen M, Heikkinen M, Savolainen J, Jarvinen T, Mannisto PT: Pharmacokinetics and pharmacodynamics of entacapone and tolcapone after acute and repeated administration: a comparative study in the rat. J Pharmacol Exp Ther. 2003 Feb;304(2):498-506.@@Tai CH, Wu RM: Catechol-O-methyltransferase and Parkinson's disease. Acta Med Okayama. 2002 Feb;56(1):1-6.@@Kaakkola S: Clinical pharmacology, therapeutic use and potential of COMT inhibitors in Parkinson's disease. Drugs. 2000 Jun;59(6):1233-50.@@Ruottinen HM, Rinne UK: COMT inhibition in the treatment of Parkinson's disease. J Neurol. 1998 Nov;245(11 Suppl 3):P25-34."	Approved; Investigational	Hydroxycinnamic acids and derivatives	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives	Cytochrome P-450 CYP2D6 Inhibitors; Anti-Parkinson Drugs; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Phenols; UGT1A9 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (weak); Nervous System; Benzene Derivatives; Dopamine Agents; Anti-Dyskinesia Agents; COMT Inhibitors	CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N					12126	46508734	D00781	PA164748726		DAP000608	Entacapone	CHEMBL953	60307
DB00495	Zidovudine	BE0002449	TERT	O14746	TERT_HUMAN	inhibitor	23303810	"Leeansyah E, Cameron PU, Solomon A, Tennakoon S, Velayudham P, Gouillou M, Spelman T, Hearps A, Fairley C, Smit de V, Pierce AB, Armishaw J, Crowe SM, Cooper DA, Koelsch KK, Liu JP, Chuah J, Lewin SR: Inhibition of telomerase activity by human immunodeficiency virus (HIV) nucleos(t)ide reverse transcriptase inhibitors: a potential factor contributing to HIV-associated accelerated aging. J Infect Dis. 2013 Apr;207(7):1157-65. doi: 10.1093/infdis/jit006. Epub 2013 Jan  9."	Approved	"Pyrimidine 2',3'-dideoxyribonucleosides"	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides"	"Myelosuppressive Agents; UGT1A1 Inducers; Antiviral Agents; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Nucleosides; Antimetabolites; Cytochrome P-450 CYP3A Substrates; Reverse Transcriptase Inhibitors; Noxae; Nucleoside Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Dideoxynucleosides; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Antivirals for Systemic Use; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; OAT1/SLC22A6 Substrates; Direct Acting Antivirals; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Anti-Retroviral Agents; Immunosuppressive Agents; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Pyrimidines; Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor; Toxic Actions; Pyrimidine Nucleosides"	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O		Zidovudine Action Pathway	drug_action		1185	46508240	D00413	PA451954		DAP000701	Zidovudine	CHEMBL129	11413
DB00496	Darifenacin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	20395537; 19416629; 18046909; 11752352	"Bharucha AE, Ravi K, Zinsmeister AR: Comparison of selective M3 and nonselective muscarinic receptor antagonists on gastrointestinal transit and bowel habits in humans. Am J Physiol Gastrointest Liver Physiol. 2010 Jul;299(1):G215-9. doi: 10.1152/ajpgi.00072.2010. Epub 2010 Apr 15.@@Bozkurt TE, Sahin-Erdemli I: M(1) and M(3) muscarinic receptors are involved in the release of urinary bladder-derived relaxant factor. Pharmacol Res. 2009 May;59(5):300-5. doi: 10.1016/j.phrs.2009.01.013. Epub 2009 Feb 5.@@Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)"	NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1					17051	46508104	D01699	PA164774901		DAP001131	Darifenacin	CHEMBL1346	136198
DB00496	Darifenacin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	18046909; 10374898	"Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16.@@Moriya H, Takagi Y, Nakanishi T, Hayashi M, Tani T, Hirotsu I: Affinity profiles of various muscarinic antagonists for cloned human muscarinic acetylcholine receptor (mAChR) subtypes and mAChRs in rat heart and submandibular gland. Life Sci. 1999;64(25):2351-8."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)"	NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1					17051	46508104	D01699	PA164774901		DAP001131	Darifenacin	CHEMBL1346	136198
DB00496	Darifenacin	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	10374898; 18046909	"Moriya H, Takagi Y, Nakanishi T, Hayashi M, Tani T, Hirotsu I: Affinity profiles of various muscarinic antagonists for cloned human muscarinic acetylcholine receptor (mAChR) subtypes and mAChRs in rat heart and submandibular gland. Life Sci. 1999;64(25):2351-8.@@Jha S, Parsons M: Treatment of overactive bladder in the aging population: focus on darifenacin. Clin Interv Aging. 2006;1(4):309-16."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate)"	NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1					17051	46508104	D01699	PA164774901		DAP001131	Darifenacin	CHEMBL1346	136198
DB00497	Oxycodone	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	17525040; 18039433; 17467904	"Ordonez Gallego A, Gonzalez Baron M, Espinosa Arranz E: Oxycodone: a pharmacological and clinical review. Clin Transl Oncol. 2007 May;9(5):298-307.@@Riley J, Eisenberg E, Muller-Schwefe G, Drewes AM, Arendt-Nielsen L: Oxycodone: a review of its use in the management of pain. Curr Med Res Opin. 2008 Jan;24(1):175-92.@@Nielsen CK, Ross FB, Lotfipour S, Saini KS, Edwards SR, Smith MT: Oxycodone and morphine have distinctly different pharmacological profiles: radioligand binding and behavioural studies in two rat models of neuropathic pain. Pain. 2007 Dec 5;132(3):289-300. Epub 2007 Apr 30."	Approved; Illicit; Investigational	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Semi-synthetic Opioids; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Cytochrome P-450 CYP3A5 Substrates; Morphine Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids"	COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C		Oxycodone Action Pathway	drug_action		6167	46508908	D05312	PA450741		DAP000283	Oxycodone	CHEMBL656	7804
DB00499	Flutamide	BE0003721	AHR	P35869	AHR_HUMAN	agonist	17327465	"Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27."	Approved; Investigational	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Antiandrogens, non-steroidal; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Anilides; Cytochrome P-450 CYP3A4 Substrates; Androgen Receptor Antagonists; Methemoglobinemia Associated Agents; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F					1847	46508874	D00586	PA449685		DAP000301	Flutamide	CHEMBL806	4508
DB00499	Flutamide	BE0000956	NR1I2	O75469	NR1I2_HUMAN		18839173	"Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7."	Approved; Investigational	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Antiandrogens, non-steroidal; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Anilides; Cytochrome P-450 CYP3A4 Substrates; Androgen Receptor Antagonists; Methemoglobinemia Associated Agents; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F					1847	46508874	D00586	PA449685		DAP000301	Flutamide	CHEMBL806	4508
DB00501	Cimetidine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	11752352; 10950107; 8863950; 16723495; 31334975; 12477078; 14528656; 6085389	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hernandez-Munoz R, Montiel-Ruiz C, Vazquez-Martinez O: Gastric mucosal cell proliferation in ethanol-induced chronic mucosal injury is related to oxidative stress and lipid peroxidation in rats. Lab Invest. 2000 Aug;80(8):1161-9.@@Kuint J, Linder N, Reichman B: Hypoxemia associated with cimetidine therapy in a newborn infant. Am J Perinatol. 1996 Jul;13(5):301-3.@@Takahashi HK, Watanabe T, Yokoyama A, Iwagaki H, Yoshino T, Tanaka N, Nishibori M: Cimetidine induces interleukin-18 production through H2-agonist activity in monocytes. Mol Pharmacol. 2006 Aug;70(2):450-3. Epub 2006 May 24.@@Pino MA, Azer SA: Cimetidine .@@Duda D, Lorenz W, Celik I: Histamine release in mesenteric traction syndrome during abdominal aortic aneurysm surgery: prophylaxis with H1 and H2 antihistamines. Inflamm Res. 2002 Oct;51(10):495-9. doi: 10.1007/pl00012418.@@Duda D, Lorenz W, Celik I: [Mesenteric traction syndrome during the operation of aneurysms of the abdominal aorta--histamine release and prophylaxis with antihistaminics]. Anaesthesiol Reanim. 2003;28(4):97-103.@@Kirch W, Hutt HJ, Heidemann H, Ramsch K, Janisch HD, Ohnhaus EE: Drug interactions with nitrendipine. J Cardiovasc Pharmacol. 1984;6 Suppl 7:S982-5."	Approved; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; MATE 1 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (weak); MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP2D6 Inhibitors (weak); Drugs for Acid Related Disorders; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Gastrointestinal Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); OCT2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Anti-Ulcer Agents; Histamine H2 Antagonists; OCT1 substrates; Cytochrome P-450 Enzyme Inhibitors; Guanidines; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Adjuvants; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Gastric Acid Lowering Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (moderate); MATE 2 Inhibitors; Amidines; BSEP/ABCB11 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); OCT1 inhibitors; Histamine Agents; MATE substrates; Chemically-Induced Disorders	CN\C(NCCSCC1=C(C)NC=N1)=N\C#N		Cimetidine Metabolism Pathway; Cimetidine Action Pathway	drug_metabolism; drug_action		2164	46505360	D00295	PA449001		DAP000338	Cimetidine	CHEMBL30	2541
DB00502	Haloperidol	BE0000533	HTR2C	P28335	5HT2C_HUMAN		12629531	"Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	15894081; 16132064; 17134027; 11752352; 16730699; 17316700; 7520908; 20643630; 12629531	"Osinski MA, Uchic ME, Seifert T, Shaughnessy TK, Miller LN, Nakane M, Cox BF, Brioni JD, Moreland RB: Dopamine D2, but not D4, receptor agonists are emetogenic in ferrets. Pharmacol Biochem Behav. 2005 May;81(1):211-9.@@Bustillo J, Barrow R, Paz R, Tang J, Seraji-Bozorgzad N, Moore GJ, Bolognani F, Lauriello J, Perrone-Bizzozero N, Galloway MP: Long-term treatment of rats with haloperidol: lack of an effect on brain N-acetyl aspartate levels. Neuropsychopharmacology. 2006 Apr;31(4):751-6.@@Ishiwata K, Oda K, Sakata M, Kimura Y, Kawamura K, Oda K, Sasaki T, Naganawa M, Chihara K, Okubo Y, Ishii K: A feasibility study of [11C]SA4503-PET for evaluating sigmal receptor occupancy by neuroleptics: the binding of haloperidol to sigma1 and dopamine D2-like receptors. Ann Nucl Med. 2006 Oct;20(8):569-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Naiker DV, Catts SV, Catts VS, Bedi KS, Bryan-Lluka LJ: Dose determination of haloperidol, risperidone and olanzapine using an in vivo dopamine D2-receptor occupancy method in the rat. Eur J Pharmacol. 2006 Jul 1;540(1-3):87-90. Epub 2006 May 11.@@Uchida S, Kato Y, Hirano K, Kagawa Y, Yamada S: Brain neurotransmitter receptor-binding characteristics in rats after oral administration of haloperidol, risperidone and olanzapine. Life Sci. 2007 Apr 3;80(17):1635-40. Epub 2007 Jan 27.@@Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5.@@Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000581	DRD3	P35462	DRD3_HUMAN	inverse agonist	7520908; 19496999; 18831971; 16123775; 9536001	"Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12.@@Tuppurainen H, Kuikka JT, Viinamaki H, Husso M, Tiihonen J: Dopamine D2/3 receptor binding potential and occupancy in midbrain and temporal cortex by haloperidol, olanzapine and clozapine. Psychiatry Clin Neurosci. 2009 Aug;63(4):529-37. doi: 10.1111/j.1440-1819.2009.01982.x. Epub 2009 May 22.@@Tadori Y, Forbes RA, McQuade RD, Kikuchi T: Characterization of aripiprazole partial agonist activity at human dopamine D3 receptors. Eur J Pharmacol. 2008 Nov 12;597(1-3):27-33. doi: 10.1016/j.ejphar.2008.09.008. Epub 2008 Sep 20.@@Kessler RM, Ansari MS, Riccardi P, Li R, Jayathilake K, Dawant B, Meltzer HY: Occupancy of striatal and extrastriatal dopamine D2/D3 receptors by olanzapine and haloperidol. Neuropsychopharmacology. 2005 Dec;30(12):2283-9.@@Malmberg, Mikaels, Mohell N: Agonist and inverse agonist activity at the dopamine D3 receptor measured by guanosine 5'--gamma-thio-triphosphate--35S- binding. J Pharmacol Exp Ther. 1998 Apr;285(1):119-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000442	HRH1	P35367	HRH1_HUMAN		12629531	"Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000045	CHRM3	P20309	ACM3_HUMAN		12629531	"Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN		12629531	"Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000650	HTR7	P34969	5HT7R_HUMAN		12629531	"Kroeze WK, Hufeisen SJ, Popadak BA, Renock SM, Steinberg S, Ernsberger P, Jayathilake K, Meltzer HY, Roth BL: H1-histamine receptor affinity predicts short-term weight gain for typical and atypical antipsychotic drugs. Neuropsychopharmacology. 2003 Mar;28(3):519-26."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00502	Haloperidol	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	16407246; 17092607; 17588330; 11752352; 11741727; 11102491; 9572299	"Hattori K, Uchino S, Isosaka T, Maekawa M, Iyo M, Sato T, Kohsaka S, Yagi T, Yuasa S: Fyn is required for haloperidol-induced catalepsy in mice. J Biol Chem. 2006 Mar 17;281(11):7129-35. Epub 2006 Jan 10.@@Zhuravliova E, Barbakadze T, Natsvlishvili N, Mikeladze DG: Haloperidol induces neurotoxicity by the NMDA receptor downstream signaling pathway, alternative from glutamate excitotoxicity. Neurochem Int. 2007 Jun;50(7-8):976-82. Epub 2006 Nov 7.@@Gu WH, Yang S, Shi WX, Zhen XC, Jin GZ: Effects of (-)-stepholidine on NMDA receptors: comparison with haloperidol and clozapine. Acta Pharmacol Sin. 2007 Jul;28(7):953-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Steinmetz RD, Fava E, Nicotera P, Steinhilber D: A simple cell line based in vitro test system for N-methyl-D-aspartate (NMDA) receptor ligands. J Neurosci Methods. 2002 Jan 15;113(1):99-110.@@Sinor JD, Du S, Venneti S, Blitzblau RC, Leszkiewicz DN, Rosenberg PA, Aizenman E: NMDA and glutamate evoke excitotoxicity at distinct cellular locations in rat cortical neurons in vitro. J Neurosci. 2000 Dec 1;20(23):8831-7.@@Gallagher MJ, Huang H, Lynch DR: Modulation of the N-methyl-D-aspartate receptor by haloperidol: NR2B-specific interactions. J Neurochem. 1998 May;70(5):2120-8."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Autonomic Agents; Gastrointestinal Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Butyrophenones; Ketones; Agents that reduce seizure threshold; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Antiemetics; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1					1903	46508794	D00136	PA449841		DAP000313	Haloperidol	CHEMBL54	5093
DB00503	Ritonavir	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	14977870; 15849716	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58.@@Smith CM, Faucette SR, Wang H, LeCluyse EL: Modulation of UDP-glucuronosyltransferase 1A1 in primary human hepatocytes by prototypical inducers. J Biochem Mol Toxicol. 2005;19(2):96-108."	Approved; Investigational	N-carbamoyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Protease Inhibitors; Antiviral Agents; UGT1A1 Inducers; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A5 Inhibitors (strong); P-glycoprotein inducers; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Treatments for Hepatitis C; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; HIV Protease Inhibitors; OATP1B3 inhibitors; Potential QTc-Prolonging Agents; Antivirals for Systemic Use; Viral Protease Inhibitors; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; UDP Glucuronosyltransferases Inducers; Direct Acting Antivirals; Acids, Acyclic; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Anti-Retroviral Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Antivirals for treatment of HCV infections; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1					4	46505050	D00427	PA451260		DAP000169	Ritonavir	CHEMBL163	85762
DB00505	Tridihexethyl	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Withdrawn	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism"	CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1						46506672		PA164746229		DAP000836	Tridihexethyl	CHEMBL1201354	38617
DB00505	Tridihexethyl	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Withdrawn	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism"	CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1						46506672		PA164746229		DAP000836	Tridihexethyl	CHEMBL1201354	38617
DB00508	Triflupromazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	239169; 30137788; 9081563	"Horn AS, Post ML, Kennard O: Dopamine receptor blockade and the neuroleptics, a crystallographic study. J Pharm Pharmacol. 1975 Aug;27(8):553-63. doi: 10.1111/j.2042-7158.1975.tb09506.x.@@Chokhawala K, Stevens L: Antipsychotic Medications .@@Creese I, Burt DR, Snyder SH: Dopamine receptor binding predicts clinical and pharmacological potencies of antischizophrenic drugs. J Neuropsychiatry Clin Neurosci. 1996 Spring;8(2):223-6. doi: 10.1176/jnp.8.2.223."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Autonomic Agents; Gastrointestinal Agents; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Dopamine Agents"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F						46507344	D00390	PA451773		DAP000294	Triflupromazine	CHEMBL570	10805
DB00508	Triflupromazine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 4152054	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Snyder S, Greenberg D, Yamamura HI: Antischizophrenic drugs and brain cholinergic receptors. Affinity for muscarinic sites predicts extrapyramidal effects. Arch Gen Psychiatry. 1974 Jul;31(1):58-61."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Autonomic Agents; Gastrointestinal Agents; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Dopamine Agents"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F						46507344	D00390	PA451773		DAP000294	Triflupromazine	CHEMBL570	10805
DB00509	Dextrothyroxine	BE0000315	THRB	P10828	THB_HUMAN	agonist	17315033; 12668276; 17016423; 17139284; 12776178; 10592235; 16099238	"Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94."	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Cyclic; Lipid Modifying Agents, Plain; Hormones; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists"	N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O					9800	46508471		PA164752444			Dextrothyroxine	CHEMBL559	3292
DB00509	Dextrothyroxine	BE0000507	TPO	P07202	PERT_HUMAN		16617153	Visser TJ: The elemental importance of sufficient iodine intake: a trace is not enough. Endocrinology. 2006 May;147(5):2095-7.	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Cyclic; Lipid Modifying Agents, Plain; Hormones; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists"	N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O					9800	46508471		PA164752444			Dextrothyroxine	CHEMBL559	3292
DB00511	Acetyldigitoxin	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	2826993	"Gonzalez-Garcia C, Cena V, Klein DC: Characterization of the alpha +-like Na+,K+-ATPase which mediates ouabain inhibition of adrenergic induction of N-acetyltransferase (EC 2.3.1.87) activity: studies with isolated pinealocytes. Mol Pharmacol. 1987 Dec;32(6):792-7."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Antiarrhythmic agents; Fused-Ring Compounds; Cardiovascular Agents; Steroids; Cardanolides; Glycosides; Cardiac Therapy; Enzyme Inhibitors; Carbohydrates; Digitalis Glycosides; Protective Agents; Compounds used in a research, industrial, or household setting; Cardiac Glycosides; Cardenolides; Cardiotonic Agents"	[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1						46507229	D06881	PA164746246		DAP000119	Acetyldigitoxin	CHEMBL3545057	132871
DB00513	Aminocaproic acid	BE0000211	PLG	P00747	PLMN_HUMAN	inhibitor	10026282; 11304653; 11927133; 12007600; 1280065; 11752352	"Mochalkin I, Cheng B, Klezovitch O, Scanu AM, Tulinsky A: Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance. Biochemistry. 1999 Feb 16;38(7):1990-8.@@Prandota J, Pankow-Prandota L, Kotecki L: Impaired activation of the fibrinolytic system in children with Henoch-Schonlein purpura: beneficial effect of hydrocortisone plus Sigma-aminocaproic acid therapy on disappearance rate of cutaneous vasculitis and fibrinolysis. Am J Ther. 2001 Jan-Feb;8(1):11-9.@@Lee KN, Jackson KW, McKee PA: Effect of a synthetic carboxy-terminal peptide of alpha(2)-antiplasmin on urokinase-induced fibrinolysis. Thromb Res. 2002 Feb 1;105(3):263-70.@@Sun Z, Chen YH, Wang P, Zhang J, Gurewich V, Zhang P, Liu JN: The blockage of the high-affinity lysine binding sites of plasminogen by EACA significantly inhibits prourokinase-induced plasminogen activation. Biochim Biophys Acta. 2002 Apr 29;1596(2):182-92.@@Kanalas JJ: Analysis of plasmin binding and urokinase activation of plasminogen bound to the Heymann nephritis autoantigen, gp330. Arch Biochem Biophys. 1992 Dec;299(2):255-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Amino Acids; Aminocaproates; Antifibrinolytic Agents; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Caproates; Acids, Acyclic; Decreased Fibrinolysis; Fibrin Modulating Agents; Amino Acids, Peptides, and Proteins"	NCCCCCC(O)=O		Aminocaproic Acid Action Pathway	drug_action		2000	46506934	D00160	PA164774947		DAP000200	Aminocaproic_acid	CHEMBL1046	99
DB00514	Dextromethorphan	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17139284; 17016423; 10064839; 2897648; 18812887	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chou YC, Liao JF, Chang WY, Lin MF, Chen CF: Binding of dimemorfan to sigma-1 receptor and its anticonvulsant and locomotor effects in mice, compared with dextromethorphan and dextrorphan. Brain Res. 1999 Mar 13;821(2):516-9.@@Wong BY, Coulter DA, Choi DW, Prince DA: Dextrorphan and dextromethorphan, common antitussives, are antiepileptic and antagonize N-methyl-D-aspartate in brain slices. Neurosci Lett. 1988 Feb 29;85(2):261-6.@@Kamel IR, Wendling WW, Chen D, Wendling KS, Harakal C, Carlsson C: N-methyl-D-aspartate (NMDA) antagonists--S(+)-ketamine, dextrorphan, and dextromethorphan--act as calcium antagonists on bovine cerebral arteries. J Neurosurg Anesthesiol. 2008 Oct;20(4):241-8. doi: 10.1097/ANA.0b013e31817f523f."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 15356218; 16563374	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8.@@Lee JH, Shin EJ, Jeong SM, Kim JH, Lee BH, Yoon IS, Lee JH, Choi SH, Lee SM, Lee PH, Kim HC, Nah SY: Effects of dextrorotatory morphinans on alpha3beta4 nicotinic acetylcholine receptors expressed in Xenopus oocytes. Eur J Pharmacol. 2006 Apr 24;536(1-2):85-92. Epub 2006 Mar 2."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17139284; 17016423; 7562497; 1280529	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70.@@Henderson MG, Fuller RW: Dextromethorphan antagonizes the acute depletion of brain serotonin by p-chloroamphetamine and H75/12 in rats. Brain Res. 1992 Oct 30;594(2):323-6."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	15356218	"Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	antagonist	15356218	"Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	antagonist	15356218	"Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	15356218	"Damaj MI, Flood P, Ho KK, May EL, Martin BR: Effect of dextrometorphan and dextrorphan on nicotine and neuronal nicotinic receptors: in vitro and in vivo selectivity. J Pharmacol Exp Ther. 2005 Feb;312(2):780-5. Epub 2004 Sep 8."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	7562497	"Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0004904	CYBB	P15153	RAC2_HUMAN	inhibitor	14734632; 29581121	"Zhang W, Wang T, Qin L, Gao HM, Wilson B, Ali SF, Zhang W, Hong JS, Liu B: Neuroprotective effect of dextromethorphan in the MPTP Parkinson's disease model: role of NADPH oxidase. FASEB J. 2004 Mar;18(3):589-91. Epub 2004 Jan 20.@@Chen CL, Cheng MH, Kuo CF, Cheng YL, Li MH, Chang CP, Wu JJ, Anderson R, Wang S, Tsai PJ, Liu CC, Lin YS: Dextromethorphan Attenuates NADPH Oxidase-Regulated Glycogen Synthase Kinase 3beta and NF-kappaB Activation and Reduces Nitric Oxide Production in Group A Streptococcal Infection. Antimicrob Agents Chemother. 2018 May 25;62(6). pii: AAC.02045-17. doi: 10.1128/AAC.02045-17. Print 2018 Jun."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00514	Dextromethorphan	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	7562497	"Codd EE, Shank RP, Schupsky JJ, Raffa RB: Serotonin and norepinephrine uptake inhibiting activity of centrally acting analgesics: structural determinants and role in antinociception. J Pharmacol Exp Ther. 1995 Sep;274(3):1263-70."	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"UGT2B7 substrates; Nicotinic Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; UGT2B17 substrates; Antidepressive Agents; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Sigma-1 Receptor Agonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Alkaloids; Uncompetitive NMDA Receptor Antagonists; NMDA Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opium Alkaloids and Derivatives; Sigma-1 Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Phenanthrenes; Serotonin Agents; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Cough and Cold Preparations; Nervous System; Uncompetitive N-methyl-D-aspartate Receptor Antagonist; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2					2173	46506530	D03742	PA449273		DNC000541	Dextromethorphan	CHEMBL52440	3289
DB00515	Cisplatin	BE0000910	A2M	P01023	A2MG_HUMAN		16773208	"Khalaila I, Bergamo A, Bussy F, Sava G, Dyson PJ: The role of cisplatin and NAMI-A plasma-protein interactions in relation to combination therapy. Int J Oncol. 2006 Jul;29(1):261-8."	Approved	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Nitrogen Compounds; Cytochrome P-450 CYP2B6 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Nephrotoxic agents; Radiation-Sensitizing Agents; OCT2 Substrates; Indicators and Reagents; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Platinum Compounds; BCRP/ABCG2 Substrates; OCT2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Laboratory Chemicals; Compounds used in a research, industrial, or household setting; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cholinesterase Inhibitors; Chlorine Compounds; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Cross-Linking Reagents"	[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]					13121	46504561	D00275	PA449014		DAP000215	Cisplatin	CHEMBL11359	2555
DB00517	Anisotropine methylbromide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 4555460	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bachrach WH: Clinical evaluation of anisotropine methyl bromide (valpin), an anticholinergic drug. Am J Dig Dis. 1972 Jun;17(6):505-12."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neurotransmitter Agents; Alkaloids; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds	[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C						46504810	D00232	PA164754880		DAP000837	Octatropine_methylbromide	CHEMBL1578	17945
DB00517	Anisotropine methylbromide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 4555460	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bachrach WH: Clinical evaluation of anisotropine methyl bromide (valpin), an anticholinergic drug. Am J Dig Dis. 1972 Jun;17(6):505-12."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neurotransmitter Agents; Alkaloids; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds	[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C						46504810	D00232	PA164754880		DAP000837	Octatropine_methylbromide	CHEMBL1578	17945
DB00518	Albendazole	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN	inhibitor	11343808; 19846910; 10592235	"Ramirez T, Benitez-Bribiesca L, Ostrosky-Wegman P, Herrera LA: In vitro effects of albendazole and its metabolites on the cell proliferation kinetics and micronuclei frequency of stimulated human lymphocytes. Arch Med Res. 2001 Mar-Apr;32(2):119-22.@@Chu SW, Badar S, Morris DL, Pourgholami MH: Potent inhibition of tubulin polymerisation and proliferation of paclitaxel-resistant 1A9PTX22 human ovarian cancer cells by albendazole. Anticancer Res. 2009 Oct;29(10):3791-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Vet_approved	2-benzimidazolylcarbamic acid esters	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters	"Tubulin Modulators; Antihelminthic; Antimitotic Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Carbamates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Mitosis Modulators; Anti-Infective Agents; Anthelmintics; Benzimidazole Derivatives; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles"	CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2					1263	46506472	D00134	PA164746058		DAP000951	Albendazole	CHEMBL1483	430
DB00519	Trandolapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 11030016; 11929321	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Piepho RW: Overview of the angiotensin-converting-enzyme inhibitors. Am J Health Syst Pharm. 2000 Oct 1;57 Suppl 1:S3-7.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Protease Inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Angiotensin-Converting Enzyme Inhibitors"	[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O		Trandolapril Action Pathway; Trandolapril Metabolism Pathway	drug_metabolism; drug_action		11443	46508300	D00383	PA451737		DAP000583	Trandolapril	CHEMBL1519	38454
DB00523	Alitretinoin	BE0000663	RARA	P10276	RARA_HUMAN	agonist	16144296; 16253547; 16339527; 16420438; 16424870; 18321241; 11752352	"Baumann L, Vujevich J, Halem M, Martin LK, Kerdel F, Lazarus M, Pacheco H, Black L, Bryde J: Open-label pilot study of alitretinoin gel 0.1% in the treatment of photoaging. Cutis. 2005 Jul;76(1):69-73.@@Milliano MT, Luxon BA: Rat hepatic stellate cells become retinoid unresponsive during activation. Hepatol Res. 2005 Nov;33(3):225-33. Epub 2005 Oct 25.@@Rasooly R, Schuster GU, Gregg JP, Xiao JH, Chandraratna RA, Stephensen CB: Retinoid x receptor agonists increase bcl2a1 expression and decrease apoptosis of naive T lymphocytes. J Immunol. 2005 Dec 15;175(12):7916-29.@@Schrage K, Koopmans G, Joosten EA, Mey J: Macrophages and neurons are targets of retinoic acid signaling after spinal cord contusion injury. Eur J Neurosci. 2006 Jan;23(2):285-95.@@Ritter M, Kattmann D, Teichler S, Hartmann O, Samuelsson MK, Burchert A, Bach JP, Kim TD, Berwanger B, Thiede C, Jager R, Ehninger G, Schafer H, Ueki N, Hayman MJ, Eilers M, Neubauer A: Inhibition of retinoic acid receptor signaling by Ski in acute myeloid leukemia. Leukemia. 2006 Mar;20(3):437-43.@@Cheng C, Michaels J, Scheinfeld N: Alitretinoin: a comprehensive review. Expert Opin Investig Drugs. 2008 Mar;17(3):437-43. doi: 10.1517/13543784.17.3.437 .@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		11885	46507356	D02815	PA164746900		DAP000275	Alitretinoin	CHEMBL705	81864
DB00523	Alitretinoin	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	16428452; 16751185; 16782282; 16819260; 16946489; 18321241; 19678713	"Bartholin L, Powers SE, Melhuish TA, Lasse S, Weinstein M, Wotton D: TGIF inhibits retinoid signaling. Mol Cell Biol. 2006 Feb;26(3):990-1001.@@Calleja C, Messaddeq N, Chapellier B, Yang H, Krezel W, Li M, Metzger D, Mascrez B, Ohta K, Kagechika H, Endo Y, Mark M, Ghyselinck NB, Chambon P: Genetic and pharmacological evidence that a retinoic acid cannot be the RXR-activating ligand in mouse epidermis keratinocytes. Genes Dev. 2006 Jun 1;20(11):1525-38.@@Zhelyaznik N, Mey J: Regulation of retinoic acid receptors alpha, beta and retinoid X receptor alpha after sciatic nerve injury. Neuroscience. 2006 Sep 15;141(4):1761-74. Epub 2006 Jun 19.@@Fukasawa H, Kagechika H, Shudo K: [Retinoid therapy for autoimmune diseases]. Nihon Rinsho Meneki Gakkai Kaishi. 2006 Jun;29(3):114-26.@@Mizuguchi Y, Wada A, Nakagawa K, Ito M, Okano T: Antitumoral activity of 13-demethyl or 13-substituted analogues of all-trans retinoic acid and 9-cis retinoic acid in the human myeloid leukemia cell line HL-60. Biol Pharm Bull. 2006 Sep;29(9):1803-9.@@Cheng C, Michaels J, Scheinfeld N: Alitretinoin: a comprehensive review. Expert Opin Investig Drugs. 2008 Mar;17(3):437-43. doi: 10.1517/13543784.17.3.437 .@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		11885	46507356	D02815	PA164746900		DAP000275	Alitretinoin	CHEMBL705	81864
DB00523	Alitretinoin	BE0000206	RARB	P10826	RARB_HUMAN	agonist	16128742; 16253547; 16297713; 16316409; 16531051; 19678713	"Mizuiri H, Yoshida K, Toge T, Oue N, Aung PP, Noguchi T, Yasui W: DNA methylation of genes linked to retinoid signaling in squamous cell carcinoma of the esophagus: DNA methylation of CRBP1 and TIG1 is associated with tumor stage. Cancer Sci. 2005 Sep;96(9):571-7.@@Milliano MT, Luxon BA: Rat hepatic stellate cells become retinoid unresponsive during activation. Hepatol Res. 2005 Nov;33(3):225-33. Epub 2005 Oct 25.@@Liu Z, Zhang L, Ding F, Li J, Guo M, Li W, Wang Y, Yu Z, Zhan Q, Wu M, Liu Z: 5-Aza-2'-deoxycytidine induces retinoic acid receptor-beta(2) demethylation and growth inhibition in esophageal squamous carcinoma cells. Cancer Lett. 2005 Dec 18;230(2):271-83.@@Nalbandian A, Pang AL, Rennert OM, Chan WY, Ravindranath N, Djakiew D: A novel function of differentiation revealed by cDNA microarray profiling of p75NTR-regulated gene expression. Differentiation. 2005 Oct;73(8):385-96.@@Husson M, Enderlin V, Delacourte A, Ghenimi N, Alfos S, Pallet V, Higueret P: Retinoic acid normalizes nuclear receptor mediated hypo-expression of proteins involved in beta-amyloid deposits in the cerebral cortex of vitamin A deprived rats. Neurobiol Dis. 2006 Jul;23(1):1-10. Epub 2006 Mar 10.@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		11885	46507356	D02815	PA164746900		DAP000275	Alitretinoin	CHEMBL705	81864
DB00523	Alitretinoin	BE0000144	RARG	P13631	RARG_HUMAN	agonist	17277115; 16788091; 16880407; 19678713; 10592235	"Dzhagalov I, Chambon P, He YW: Regulation of CD8+ T lymphocyte effector function and macrophage inflammatory cytokine production by retinoic acid receptor gamma. J Immunol. 2007 Feb 15;178(4):2113-21.@@Parrella E, Gianni M, Fratelli M, Barzago MM, Raska I Jr, Diomede L, Kurosaki M, Pisano C, Carminati P, Merlini L, Dallavalle S, Tavecchio M, Rochette-Egly C, Terao M, Garattini E: Antitumor activity of the retinoid-related molecules (E)-3-(4'-hydroxy-3'-adamantylbiphenyl-4-yl)acrylic acid (ST1926) and 6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalene carboxylic acid (CD437) in F9 teratocarcinoma: Role of retinoic acid receptor gamma and retinoid-independent pathways. Mol Pharmacol. 2006 Sep;70(3):909-24. Epub 2006 Jun 20.@@Li M, Hener P, Zhang Z, Kato S, Metzger D, Chambon P: Topical vitamin D3 and low-calcemic analogs induce thymic stromal lymphopoietin in mouse keratinocytes and trigger an atopic dermatitis. Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11736-41. Epub 2006 Jul 31.@@Garnock-Jones KP, Perry CM: Alitretinoin: in severe chronic hand eczema. Drugs. 2009 Aug 20;69(12):1625-34. doi: 10.2165/11202200-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Retinoids for cancer treatment; Vitamin A; Vitamins; Dermatologicals; Hydrocarbons, Acyclic; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Misc. Skin and Mucous Membrane Agents; P-glycoprotein substrates; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Biological Factors; Diterpenes; Retinoids; Antineoplastic and Immunomodulating Agents; Polyenes; Agents for Dermatitis, Excluding Corticosteroids; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		11885	46507356	D02815	PA164746900		DAP000275	Alitretinoin	CHEMBL705	81864
DB00524	Metolazone	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Low-Ceiling Diuretics and Potassium-Sparing Agents; Thiazide-like Diuretic; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Low-Ceiling Diuretics, Excl. Thiazides; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Non Potassium Sparing Diuretics; Natriuretic Agents; Quinazolinones; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Quinazolines"	CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O		Metolazone Action Pathway	drug_action		8133	46509058	D00431	PA164781022		DAP000749	Metolazone	CHEMBL878	6916
DB00527	Cinchocaine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 12354567; 9742684; 8798723; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Oka M, Itoh Y, Fujita T: Halothane attenuates the cerebroprotective action of several Na+ and Ca2+ channel blockers via reversal of their ion channel blockade. Eur J Pharmacol. 2002 Oct 4;452(2):175-81.@@Louro SR, Anteneodo C, Wajnberg E: Carboxyl groups at the membrane interface as molecular targets for local anesthetics. Biophys Chem. 1998 Aug 4;74(1):35-43.@@Ryan SE, Demers CN, Chew JP, Baenziger JE: Structural effects of neutral and anionic lipids on the nicotinic acetylcholine receptor. An infrared difference spectroscopy study. J Biol Chem. 1996 Oct 4;271(40):24590-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Quinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives	"Sensory System Agents; Amides; Dermatologicals; Increased Histamine Release; Cell-mediated Immunity; Central Nervous System Depressants; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Otologicals; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Standardized Chemical Allergen; Peripheral Nervous System Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Ophthalmologicals; Central Nervous System Agents; Cholinesterase Inhibitors; Nervous System; Quinolines; Sensory Organs; Vasoprotectives"	CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC		Dibucaine Action Pathway	drug_action		7053	46506734	D00733	PA449286		DAP000507	Cinchocaine	CHEMBL1086	3339
DB00527	Cinchocaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 9742684; 8798723	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Louro SR, Anteneodo C, Wajnberg E: Carboxyl groups at the membrane interface as molecular targets for local anesthetics. Biophys Chem. 1998 Aug 4;74(1):35-43.@@Ryan SE, Demers CN, Chew JP, Baenziger JE: Structural effects of neutral and anionic lipids on the nicotinic acetylcholine receptor. An infrared difference spectroscopy study. J Biol Chem. 1996 Oct 4;271(40):24590-7."	Approved; Vet_approved	Quinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives	"Sensory System Agents; Amides; Dermatologicals; Increased Histamine Release; Cell-mediated Immunity; Central Nervous System Depressants; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Otologicals; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Standardized Chemical Allergen; Peripheral Nervous System Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Ophthalmologicals; Central Nervous System Agents; Cholinesterase Inhibitors; Nervous System; Quinolines; Sensory Organs; Vasoprotectives"	CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC		Dibucaine Action Pathway	drug_action		7053	46506734	D00733	PA449286		DAP000507	Cinchocaine	CHEMBL1086	3339
DB00528	Lercanidipine	BE0000679	CACNG1	Q06432	CCG1_HUMAN	inhibitor	17139284; 17016423; 19619074	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Burnier M, Pruijm M, Wuerzner G: Treatment of essential hypertension with calcium channel blockers: what is the place of lercanidipine? Expert Opin Drug Metab Toxicol. 2009 Aug;5(8):981-7. doi: 10.1517/17425250903085135."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1						46508865		PA164769058		DAP001261	Lercanidipine	CHEMBL250270	135056
DB00530	Erlotinib	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	18839173; 19733976	"Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7.@@van Erp NP, Gelderblom H, Guchelaar HJ: Clinical pharmacokinetics of tyrosine kinase inhibitors. Cancer Treat Rev. 2009 Dec;35(8):692-706. doi: 10.1016/j.ctrv.2009.08.004. Epub 2009 Sep 5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2		Erlotinib Action Pathway	drug_action		12481	46508021	D07907	PA134687924		DAP001010	Erlotinib	CHEMBL553	337525
DB00530	Erlotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	12498017; 12517254; 12814826; 12820772; 12840797; 11752352	"Kim TE, Murren JR: Erlotinib OSI/Roche/Genentech. Curr Opin Investig Drugs. 2002 Sep;3(9):1385-95.@@Laird AD, Cherrington JM: Small molecule tyrosine kinase inhibitors: clinical development of anticancer agents. Expert Opin Investig Drugs. 2003 Jan;12(1):51-64.@@Delbaldo C, Faivre S, Raymond E: [Epidermal growth factor inhibitors]. Rev Med Interne. 2003 Jun;24(6):372-83.@@Bulgaru AM, Mani S, Goel S, Perez-Soler R: Erlotinib (Tarceva): a promising drug targeting epidermal growth factor receptor tyrosine kinase. Expert Rev Anticancer Ther. 2003 Jun;3(3):269-79.@@Akita RW, Sliwkowski MX: Preclinical studies with Erlotinib (Tarceva). Semin Oncol. 2003 Jun;30(3 Suppl 7):15-24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2		Erlotinib Action Pathway	drug_action		12481	46508021	D07907	PA134687924		DAP001010	Erlotinib	CHEMBL553	337525
DB00531	Cyclophosphamide	BE0000956	NR1I2	O75469	NR1I2_HUMAN		18839173	"Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7."	Approved; Investigational	Nitrogen mustard compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Nitrogen mustard compounds	"Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Alkylating Activity; Organophosphorus Compounds; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Nitrogen Mustard Analogues; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Noxae; Nitrogen Mustard Compounds; Phosphoramides; Cytochrome P-450 CYP2C8 Substrates; Mutagens; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Myeloablative Agonists; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antineoplastic Agents, Alkylating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Neurotoxic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Alkylating Drugs; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Phosphoramide Mustards; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Toxic Actions"	ClCCN(CCCl)P1(=O)NCCCO1		Cyclophosphamide Action Pathway; Cyclophosphamide Metabolism Pathway	drug_metabolism; drug_action		5927	46505441	D07760	PA449165		DAP000532	Cyclophosphamide	CHEMBL88	1545988
DB00532	Mephenytoin	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	15066664; 15001403; 11752352	"Lenkowski PW, Ko SH, Anderson JD, Brown ML, Patel MK: Block of human NaV1.5 sodium channels by novel alpha-hydroxyphenylamide analogues of phenytoin. Eur J Pharm Sci. 2004 Apr;21(5):635-44.@@Swadron SP, Rudis MI, Azimian K, Beringer P, Fort D, Orlinsky M: A comparison of phenytoin-loading techniques in the emergency department. Acad Emerg Med. 2004 Mar;11(3):244-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2D6 Substrates; Hydantoins; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1						46508677	D00375	PA450373		DAP000508	Mephenytoin	CHEMBL861	6757
DB00532	Mephenytoin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	15039302	"Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved; Investigational; Withdrawn	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP2D6 Substrates; Hydantoins; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1						46508677	D00375	PA450373		DAP000508	Mephenytoin	CHEMBL861	6757
DB00533	Rofecoxib	BE0001046	ELN	P15502	ELN_HUMAN	other/unknown	16679386; 17164475; 17620346	"Oitate M, Hirota T, Koyama K, Inoue S, Kawai K, Ikeda T: Covalent binding of radioactivity from [14C]rofecoxib, but not [14C]celecoxib or [14C]CS-706, to the arterial elastin of rats. Drug Metab Dispos. 2006 Aug;34(8):1417-22. Epub 2006 May 5.@@Oitate M, Hirota T, Takahashi M, Murai T, Miura S, Senoo A, Hosokawa T, Oonishi T, Ikeda T: Mechanism for covalent binding of rofecoxib to elastin of rat aorta. J Pharmacol Exp Ther. 2007 Mar;320(3):1195-203. Epub 2006 Dec 12.@@Oitate M, Hirota T, Murai T, Miura S, Ikeda T: Covalent binding of rofecoxib, but not other cyclooxygenase-2 inhibitors, to allysine aldehyde in elastin of human aorta. Drug Metab Dispos. 2007 Oct;35(10):1846-52. Epub 2007 Jul 9."	Approved; Investigational; Withdrawn	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates"	CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1		Rofecoxib Action Pathway	drug_action		11924	46504787	D00568	PA451268		DAP001338	Rofecoxib	CHEMBL122	232158
DB00534	Chlormerodrin	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inducer	17139284; 17016423; 5455277; 8391582	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tabern DL, Kearney J, Sohn H: The quantitative measurement of tubular chlormerodrin binding as an index of renal function: a study of 400 cases. Can Med Assoc J. 1970 Sep 26;103(6):601-7.@@Mannuzzu LM, Moronne MM, Macey RI: Estimate of the number of urea transport sites in erythrocyte ghosts using a hydrophobic mercurial. J Membr Biol. 1993 Apr;133(1):85-97."	Approved; Withdrawn	Isoureas	Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids	Alkylmercury Compounds; Organomercury Compounds; Organometallic Compounds	COC(CNC(N)=O)C[Hg]Cl						46504793		PA164748977		DAP000754	Chlormerodrin		
DB00536	Guanidine	BE0000133	ALDH2	P05091	ALDH2_HUMAN	inhibitor	9271349; 6100768	"Kikonyogo A, Pietruszko R: Cimetidine and other H2-receptor antagonists as inhibitors of human E3 aldehyde dehydrogenase. Mol Pharmacol. 1997 Aug;52(2):267-71. doi: 10.1124/mol.52.2.267.@@Kopczynski Z, Dryl T, Chmiel J: Studies on the effects of low-molecular uraemic toxins on the activity of 3-phospho-D-glycerol aldehyde dehydrogenase (E.C.1.2.1.12) in human erythrocytes. Acta Physiol Pol. 1984 Sep-Dec;35(5-6):539-45."	Approved	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	MATE 1 Substrates; MATE 2 Substrates; OAT3/SLC22A8 Inhibitors; OCT2 Inhibitors; Amidines; Increased Acetylcholine Activity; Guanidines; OCT1 inhibitors; Acetylcholine Releasing Agent; MATE substrates	NC(N)=N						46507543		PA164781028			Guanidine	CHEMBL821	50675
DB00536	Guanidine	BE0004524	DLG4	P78352	DLG4_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	MATE 1 Substrates; MATE 2 Substrates; OAT3/SLC22A8 Inhibitors; OCT2 Inhibitors; Amidines; Increased Acetylcholine Activity; Guanidines; OCT1 inhibitors; Acetylcholine Releasing Agent; MATE substrates	NC(N)=N						46507543		PA164781028			Guanidine	CHEMBL821	50675
DB00539	Toremifene	BE0000123	ESR1	P03372	ESR1_HUMAN	modulator	11747628; 12870885; 11752352; 15369444; 18279543; 17503894; 16917142; 16515478; 16503765; 16595024; 17062721	"Locci P, Bellocchio S, Lilli C, Marinucci L, Cagini L, Baroni T, Giustozzi G, Balducci C, Becchetti E: Synthesis and secretion of transforming growth factor-beta1 by human desmoid fibroblast cell line and its modulation by toremifene. J Interferon Cytokine Res. 2001 Nov;21(11):961-70.@@Liu X, Pisha E, Tonetti DA, Yao D, Li Y, Yao J, Burdette JE, Bolton JL: Antiestrogenic and DNA damaging effects induced by tamoxifen and toremifene metabolites. Chem Res Toxicol. 2003 Jul;16(7):832-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jones KL, Buzdar AU: A review of adjuvant hormonal therapy in breast cancer. Endocr Relat Cancer. 2004 Sep;11(3):391-406.@@Shelly W, Draper MW, Krishnan V, Wong M, Jaffe RB: Selective estrogen receptor modulators: an update on recent clinical findings. Obstet Gynecol Surv. 2008 Mar;63(3):163-81. doi: 10.1097/OGX.0b013e31816400d7.@@Gennari L, Merlotti D, Valleggi F, Martini G, Nuti R: Selective estrogen receptor modulators for postmenopausal osteoporosis: current state of development. Drugs Aging. 2007;24(5):361-79.@@Lewis-Wambi JS, Jordan VC: Treatment of Postmenopausal Breast Cancer with Selective Estrogen Receptor Modulators (SERMs). Breast Dis. 2005-2006;24:93-105.@@Ariazi EA, Ariazi JL, Cordera F, Jordan VC: Estrogen receptors as therapeutic targets in breast cancer. Curr Top Med Chem. 2006;6(3):181-202.@@Taneja SS, Smith MR, Dalton JT, Raghow S, Barnette G, Steiner M, Veverka KA: Toremifene--a promising therapy for the prevention of prostate cancer and complications of androgen deprivation therapy. Expert Opin Investig Drugs. 2006 Mar;15(3):293-305.@@Goldstein LJ: Controversies in adjuvant endocrine treatment of premenopausal women. Clin Breast Cancer. 2006 Feb;6 Suppl 2:S36-40.@@Smith MR: Treatment-related osteoporosis in men with prostate cancer. Clin Cancer Res. 2006 Oct 15;12(20 Pt 2):6315s-6319s."	Approved; Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Stilbenes; QTc Prolonging Agents; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Benzene Derivatives; Estrogen Receptor Modulators; Anti-Estrogens; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Highest Risk QTc-Prolonging Agents; Bone Density Conservation Agents; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1						46506087		PA451731		DAP000793	Toremifene	CHEMBL1655	38409
DB00540	Nortriptyline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11092898; 11502876; 14744476; 17018806; 8863842; 9537821	"Roubert C, Cox PJ, Bruss M, Hamon M, Bonisch H, Giros B: Determination of residues in the norepinephrine transporter that are critical for tricyclic antidepressant affinity. J Biol Chem. 2001 Mar 16;276(11):8254-60. Epub 2000 Nov 22.@@Roubert C, Sagne C, Kapsimali M, Vernier P, Bourrat F, Giros B: A Na(+)/Cl(-)-dependent transporter for catecholamines, identified as a norepinephrine transporter, is expressed in the brain of the teleost fish medaka (Oryzias latipes). Mol Pharmacol. 2001 Sep;60(3):462-73.@@Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Kim H, Lim SW, Kim S, Kim JW, Chang YH, Carroll BJ, Kim DK: Monoamine transporter gene polymorphisms and antidepressant response in koreans with late-life depression. JAMA. 2006 Oct 4;296(13):1609-18.@@Barker EL, Blakely RD: Identification of a single amino acid, phenylalanine 586, that is responsible for high affinity interactions of tricyclic antidepressants with the human serotonin transporter. Mol Pharmacol. 1996 Oct;50(4):957-65.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	14604448; 16855451; 11027924; 14744476; 12640215; 9537821	"Joyce PR, Mulder RT, Luty SE, McKenzie JM, Miller AL, Rogers GR, Kennedy MA: Age-dependent antidepressant pharmacogenomics: polymorphisms of the serotonin transporter and G protein beta3 subunit as predictors of response to fluoxetine and nortriptyline. Int J Neuropsychopharmacol. 2003 Dec;6(4):339-46.@@Wisner KL, Hanusa BH, Perel JM, Peindl KS, Piontek CM, Sit DK, Findling RL, Moses-Kolko EL: Postpartum depression: a randomized trial of sertraline versus nortriptyline. J Clin Psychopharmacol. 2006 Aug;26(4):353-60.@@Pollock BG, Ferrell RE, Mulsant BH, Mazumdar S, Miller M, Sweet RA, Davis S, Kirshner MA, Houck PR, Stack JA, Reynolds CF, Kupfer DJ: Allelic variation in the serotonin transporter promoter affects onset of paroxetine treatment response in late-life depression. Neuropsychopharmacology. 2000 Nov;23(5):587-90.@@Vaishnavi SN, Nemeroff CB, Plott SJ, Rao SG, Kranzler J, Owens MJ: Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity. Biol Psychiatry. 2004 Feb 1;55(3):320-2.@@Rausch JL, Moeller FG, Johnson ME: Initial platelet serotonin (5-HT) transport kinetics predict nortriptyline treatment outcome. J Clin Psychopharmacol. 2003 Apr;23(2):138-44.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7855217; 6096660; 6106553	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Sadava D, Wilmington K: Tricyclic antidepressant drugs affect histamine receptors in human leukocytes. Life Sci. 1984 Dec 17;35(25):2545-8.@@Taylor JE, Richelson E: High affinity binding of tricyclic antidepressants to histamine H1-receptors: fact and artifact. Eur J Pharmacol. 1980 Oct 3;67(1):41-6."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7855217; 20363235; 2870173	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2.@@Ferry DG, Caplan NB, Cubeddu LX: Interaction between antidepressants and alpha 1-adrenergic receptor antagonists on the binding to alpha 1-acid glycoprotein. J Pharm Sci. 1986 Feb;75(2):146-9. doi: 10.1002/jps.2600750208."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	8876023; 8131152	"Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40.@@Stahl SM, Hauger RL, Rausch JL, Fleishaker JC, Hubbell-Alberts E: Downregulation of serotonin receptor subtypes by nortriptyline and adinazolam in major depressive disorder: neuroendocrine and platelet markers. Clin Neuropharmacol. 1993;16 Suppl 3:S19-31."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	20363235	"Nojimoto FD, Mueller A, Hebeler-Barbosa F, Akinaga J, Lima V, Kiguti LR, Pupo AS: The tricyclic antidepressants amitriptyline, nortriptyline and imipramine are weak antagonists of human and rat alpha1B-adrenoceptors. Neuropharmacology. 2010 Jul-Aug;59(1-2):49-57. doi: 10.1016/j.neuropharm.2010.03.015. Epub 2010 Apr 2."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	6121969	"Peroutka SJ, Snyder SH: Antiemetics: neurotransmitter receptor binding predicts therapeutic actions. Lancet. 1982 Mar 20;1(8273):658-9."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00540	Nortriptyline	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Benzocycloheptenes; Dopamine Antagonists; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzocycloheptenes; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12					9839	46507783	D08288	PA450657		DAP001152	Nortriptyline	CHEMBL445	7531
DB00541	Vincristine	BE0000143	TUBB	P07437	TBB5_HUMAN	inhibitor	17139284; 17016423; 19277662; 20442307	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kurtzberg LS, Roth SD, Bagley RG, Rouleau C, Yao M, Crawford JL, Krumbholz RD, Schmid SM, Teicher BA: Bone marrow CFU-GM and human tumor xenograft efficacy of three tubulin binding agents. Cancer Chemother Pharmacol. 2009 Oct;64(5):1029-38. doi: 10.1007/s00280-009-0959-z. Epub 2009 Mar 10.@@Gan PP, McCarroll JA, Po'uha ST, Kamath K, Jordan MA, Kavallaris M: Microtubule dynamics, mitotic arrest, and apoptosis: drug-induced differential effects of betaIII-tubulin. Mol Cancer Ther. 2010 May;9(5):1339-48. doi: 10.1158/1535-7163.MCT-09-0679. Epub  2010 May 4."	Approved; Investigational	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Alkaloids; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Indolizines"	[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC5=C4NC4=CC=CC=C54)C(=O)OC)N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC		Vincristine Action Pathway	drug_action		5895	46507033	D08679	PA451879		DAP000114	Vincristine	CHEMBL499458	11202
DB00541	Vincristine	BE0001391	TUBA4A	P68366	TBA4A_HUMAN	inhibitor	20691709; 20442307; 11168494	"Yasui M, Koyama N, Koizumi T, Senda-Murata K, Takashima Y, Hayashi M, Sugimoto K, Honma M: Live cell imaging of micronucleus formation and development. Mutat Res. 2010 Oct 13;692(1-2):12-8. doi: 10.1016/j.mrfmmm.2010.07.009. Epub 2010 Aug 5.@@Gan PP, McCarroll JA, Po'uha ST, Kamath K, Jordan MA, Kavallaris M: Microtubule dynamics, mitotic arrest, and apoptosis: drug-induced differential effects of betaIII-tubulin. Mol Cancer Ther. 2010 May;9(5):1339-48. doi: 10.1158/1535-7163.MCT-09-0679. Epub  2010 May 4.@@Vilpo JA, Koski T, Vilpo LM: Selective toxicity of vincristine against chronic lymphocytic leukemia cells in vitro. Eur J Haematol. 2000 Dec;65(6):370-8."	Approved; Investigational	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Alkaloids; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Indolizines"	[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC5=C4NC4=CC=CC=C54)C(=O)OC)N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC		Vincristine Action Pathway	drug_action		5895	46507033	D08679	PA451879		DAP000114	Vincristine	CHEMBL499458	11202
DB00542	Benazepril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 11929321	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Decreased Blood Pressure; Heterocyclic Compounds, Fused-Ring; Hypotensive Agents; Protease Inhibitors; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Drugs causing inadvertant photosensitivity; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors"	[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC		Benazepril Metabolism Pathway; Benazepril Action Pathway	drug_metabolism; drug_action		1215	46507884	D07499	PA448561		DAP000584	Benazepril	CHEMBL838	18867
DB00543	Amoxapine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	7984281; 9537821	"Spurlock G, Buckland P, O'Donovan M, McGuffin P: Lack of effect of antidepressant drugs on the levels of mRNAs encoding serotonergic receptors, synthetic enzymes and 5HT transporter. Neuropharmacology. 1994 Mar-Apr;33(3-4):433-40.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17139284; 17016423; 9537821	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	1966571; 11180191	"Wei HB, Niu XY: [Comparison of the affinities of amoxapine and loxapine for various receptors in rat brain and the receptor down-regulation after chronic administration]. Yao Xue Xue Bao. 1990;25(12):881-5.@@Nasu R, Matsuo H, Takanaga H, Ohtani H, Sawada Y: Quantitative prediction of catalepsy induced by amoxapine, cinnarizine and cyclophosphamide in mice. Biopharm Drug Dispos. 2000 May;21(4):129-38."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	1966571; 9589848	"Wei HB, Niu XY: [Comparison of the affinities of amoxapine and loxapine for various receptors in rat brain and the receptor down-regulation after chronic administration]. Yao Xue Xue Bao. 1990;25(12):881-5.@@Buckley NA, McManus PR: Can the fatal toxicity of antidepressant drugs be predicted with pharmacological and toxicological data? Drug Saf. 1998 May;18(5):369-81."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	10821800	"Glusa E, Pertz HH: Further evidence that 5-HT-induced relaxation of pig pulmonary artery is mediated by endothelial 5-HT(2B) receptors. Br J Pharmacol. 2000 Jun;130(3):692-8."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	7908055	"Roth BL, Craigo SC, Choudhary MS, Uluer A, Monsma FJ Jr, Shen Y, Meltzer HY, Sibley DR: Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	16135699	"Burstein ES, Ma J, Wong S, Gao Y, Pham E, Knapp AE, Nash NR, Olsson R, Davis RE, Hacksell U, Weiner DM, Brann MR: Intrinsic efficacy of antipsychotics at human D2, D3, and D4 dopamine receptors: identification of the clozapine metabolite N-desmethylclozapine as a D2/D3 partial agonist. J Pharmacol Exp Ther. 2005 Dec;315(3):1278-87. Epub 2005 Aug 31."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	6086881	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	6086881	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder	15947036	"Lim HD, van Rijn RM, Ling P, Bakker RA, Thurmond RL, Leurs R: Evaluation of histamine H1-, H2-, and H3-receptor ligands at the human histamine H4 receptor: identification of 4-methylhistamine as the first potent and selective H4 receptor agonist. J Pharmacol Exp Ther. 2005 Sep;314(3):1310-21. Epub 2005 Jun 9."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	binder	1966571	"Wei HB, Niu XY: [Comparison of the affinities of amoxapine and loxapine for various receptors in rat brain and the receptor down-regulation after chronic administration]. Yao Xue Xue Bao. 1990;25(12):881-5."	Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00543	Amoxapine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	binder			Approved	Dibenzoxazepines	Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Dibenzoxazepines; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Dopamine Agents"	ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1					8001	46509117	D00228	PA448405		DAP001149	Amoxapine	CHEMBL1113	722
DB00545	Pyridostigmine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	10942908; 10869589; 8954750	"Somani SM, Husain K, Asha T, Helfert R: Interactive and delayed effects of pyridostigmine and physical stress on biochemical and histological changes in peripheral tissues of mice. J Appl Toxicol. 2000 Jul-Aug;20(4):327-34.@@Servatius RJ, Ottenweller JE, Guo W, Beldowicz D, Zhu G, Natelson BH: Effects of inescapable stress and treatment with pyridostigmine bromide on plasma butyrylcholinesterase and the acoustic startle response in rats. Physiol Behav. 2000 May;69(3):239-46.@@Abou-Donia MB, Wilmarth KR, Abdel-Rahman AA, Jensen KF, Oehme FW, Kurt TL: Increased neurotoxicity following concurrent exposure to pyridostigmine bromide, DEET, and chlorpyrifos. Fundam Appl Toxicol. 1996 Dec;34(2):201-22."	Approved; Investigational	N-methylpyridinium compounds	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines	Parasympathomimetics; Cytochrome P-450 Enzyme Inducers; Parasympathomemetic (Cholinergic) Agents; Enzyme Inhibitors; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cholinesterase Inhibitors; Neurotransmitter Agents; Pyridinium Compounds; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inducers (weak); Pyridines	CN(C)C(=O)OC1=C[N+](C)=CC=C1					6296	46506129	D00487	PA451185		DNC001171	Pyridostigmine	CHEMBL1115	9000
DB00546	Adinazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Triazolobenzodiazepines; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Cytochrome P-450 CYP2C19 Substrates"	CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12						46509054	D02770	PA164783813		DAP001251	Adinazolam	CHEMBL328250	
DB00546	Adinazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Triazolobenzodiazepines; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Cytochrome P-450 CYP2C19 Substrates"	CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12						46509054	D02770	PA164783813		DAP001251	Adinazolam	CHEMBL328250	
DB00547	Desoximetasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	10754457; 16891588; 16895953; 16980198; 17038445; 17086345	"Lange K, Kleuser B, Gysler A, Bader M, Maia C, Scheidereit C, Korting HC, Schafer-Korting M: Cutaneous inflammation and proliferation in vitro: differential effects and mode of action of topical glucocorticoids. Skin Pharmacol Appl Skin Physiol. 2000 Mar-Apr;13(2):93-103.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Pregnadienediols; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7592	46506793		PA164746011		DAP001185	Desoximetasone	CHEMBL1766	3255
DB00548	Azelaic acid	BE0003610	AKR1D1	P51857	AK1D1_HUMAN	inhibitor	3207614	"Stamatiadis D, Bulteau-Portois MC, Mowszowicz I: Inhibition of 5 alpha-reductase activity in human skin by zinc and azelaic acid. Br J Dermatol. 1988 Nov;119(5):627-32."	Approved	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Decreased Protein Synthesis; Acids, Acyclic; Dermatologicals; Drugs that are Mainly Renally Excreted; Misc. Skin and Mucous Membrane Agents; Decreased Sebaceous Gland Activity"	OC(=O)CCCCCCCC(O)=O					277	46506284	D03034	PA164754850		DAP000889	Azelaic_acid	CHEMBL1238	18602
DB00548	Azelaic acid	BE0000585	SRD5A2	P31213	S5A2_HUMAN	inhibitor	17139284; 17016423; 3207614	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Stamatiadis D, Bulteau-Portois MC, Mowszowicz I: Inhibition of 5 alpha-reductase activity in human skin by zinc and azelaic acid. Br J Dermatol. 1988 Nov;119(5):627-32."	Approved	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Decreased Protein Synthesis; Acids, Acyclic; Dermatologicals; Drugs that are Mainly Renally Excreted; Misc. Skin and Mucous Membrane Agents; Decreased Sebaceous Gland Activity"	OC(=O)CCCCCCCC(O)=O					277	46506284	D03034	PA164754850		DAP000889	Azelaic_acid	CHEMBL1238	18602
DB00548	Azelaic acid	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor	2114832; 2963038; 4004885; 448162	"Schallreuter KU, Wood JW: A possible mechanism of action for azelaic acid in the human epidermis. Arch Dermatol Res. 1990;282(3):168-71.@@Nazzaro-Porro M: Azelaic acid. J Am Acad Dermatol. 1987 Dec;17(6):1033-41.@@Picardo M, Passi S, Sirianni MC, Fiorilli M, Russo GD, Cortesi E, Barile G, Breathnach AS, Nazzaro-Porro M: Activity of azelaic acid on cultures of lymphoma- and leukemia-derived cell lines, normal resting and stimulated lymphocytes and 3T3 fibroblasts. Biochem Pharmacol. 1985 May 15;34(10):1653-8.@@Nazzaro-Porro M, Passi S, Balus L, Breathnach A, Martin B, Morpurgo G: Effect of dicarboxylic acids on lentigo maligna. J Invest Dermatol. 1979 Jun;72(6):296-305."	Approved	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Decreased Protein Synthesis; Acids, Acyclic; Dermatologicals; Drugs that are Mainly Renally Excreted; Misc. Skin and Mucous Membrane Agents; Decreased Sebaceous Gland Activity"	OC(=O)CCCCCCCC(O)=O					277	46506284	D03034	PA164754850		DAP000889	Azelaic_acid	CHEMBL1238	18602
DB00550	Propylthiouracil	BE0000507	TPO	P07202	PERT_HUMAN	inhibitor	10365684; 11241400; 12755690; 17379648; 2656250; 11752352	"Sugawara M, Sugawara Y, Wen K: Methimazole and propylthiouracil increase cellular thyroid peroxidase activity and thyroid peroxidase mRNA in cultured porcine thyroid follicles. Thyroid. 1999 May;9(5):513-8.@@Manzon RG, Holmes JA, Youson JH: Variable effects of goitrogens in inducing precocious metamorphosis in sea lampreys (Petromyzon marinus). J Exp Zool. 2001 Apr 15;289(5):290-303.@@Ferreira AC, de Carvalho Cardoso L, Rosenthal D, de Carvalho DP: Thyroid Ca2+/NADPH-dependent H2O2 generation is partially inhibited by propylthiouracil and methimazole. Eur J Biochem. 2003 Jun;270(11):2363-8.@@Schmutzler C, Bacinski A, Gotthardt I, Huhne K, Ambrugger P, Klammer H, Schlecht C, Hoang-Vu C, Gruters A, Wuttke W, Jarry H, Kohrle J: The ultraviolet filter benzophenone 2 interferes with the thyroid hormone axis in rats and is a potent in vitro inhibitor of human recombinant thyroid peroxidase. Endocrinology. 2007 Jun;148(6):2835-44. Epub 2007 Mar 22.@@Taurog A, Dorris ML: A reexamination of the proposed inactivation of thyroid peroxidase in the rat thyroid by propylthiouracil. Endocrinology. 1989 Jun;124(6):3038-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Agents Causing Muscle Toxicity; Immunosuppressive Agents; Myelosuppressive Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Thiouracil; Thiouracils; Antimetabolites; Thyroid Products; Pyrimidines; Thyroid Hormone Synthesis Inhibitor; Antithyroid agents; Toxic Actions; Hormone Antagonists; Noxae; Thyroid Hormone Synthesis Inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCC1=CC(=O)NC(=S)N1					9439	46505181	D00562	PA451156		DAP001247	Propylthiouracil	CHEMBL1518	8794
DB00551	Acetohydroxamic acid	BE0001198	MMP12	P39900	MMP12_HUMAN	inhibitor	16899369; 15809432; 17269766; 16959356	"Mannino C, Nievo M, Machetti F, Papakyriakou A, Calderone V, Fragai M, Guarna A: Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. Bioorg Med Chem. 2006 Nov 15;14(22):7392-403. Epub 2006 Aug 8.@@Bertini I, Calderone V, Cosenza M, Fragai M, Lee YM, Luchinat C, Mangani S, Terni B, Turano P: Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc Natl Acad Sci U S A. 2005 Apr 12;102(15):5334-9. Epub 2005 Apr 4.@@Bertini I, Calderone V, Fragai M, Giachetti A, Loconte M, Luchinat C, Maletta M, Nativi C, Yeo KJ: Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases. J Am Chem Soc. 2007 Mar 7;129(9):2466-75. Epub 2007 Feb 2.@@Fukuda M, Peppas NA, McGinity JW: Floating hot-melt extruded tablets for gastroretentive controlled drug release system. J Control Release. 2006 Oct 10;115(2):121-9. Epub 2006 Jul 21."	Approved	Acetohydroxamic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Amines; Enzyme Inhibitors; Hydroxy Acids; Urologicals; Hydroxylamines; Genito Urinary System and Sex Hormones; Urease Inhibitors; Urease Inhibitor	CC(=O)NO						46508546	D00220	PA164749213		DAP001277	Acetohydroxamic_acid	CHEMBL734	16728
DB00552	Pentostatin	BE0002214	ADA	P00813	ADA_HUMAN	inhibitor	11752352; 2433905; 17309302; 10887639	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jackson RC, Leopold WR, Ross DA: The biochemical pharmacology of (2'-R)-chloropentostatin, a novel inhibitor of adenosine deaminase. Adv Enzyme Regul. 1986;25:125-39.@@Newman DJ, Cragg GM: Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.@@Cabanillas F: Purine nucleoside analogs in indolent non-Hodgkin's lymphoma. Oncology (Williston Park). 2000 Jun;14(6 Suppl 2):13-5."	Approved; Investigational	Imidazodiazepines	Organic compounds; Organoheterocyclic compounds; Imidazodiazepines	"Myelosuppressive Agents; Cancer immunotherapy; Enzyme Inhibitors; Nucleosides; Immunotherapy; Cardiotoxic antineoplastic agents; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Deoxyribonucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Adenosine Deaminase Inhibitors; Pyrimidines; Coformycin; Narrow Therapeutic Index Drugs; Formycins; Pyrimidine Nucleosides"	OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O					1740	46507116	D00155	PA450863		DAP000566	Pentostatin	CHEMBL1580	8011
DB00555	Lamotrigine	BE0009609	CACNA1E	Q15878	CAC1E_HUMAN	inhibitor	29176325	"Dibue-Adjei M, Kamp MA, Alpdogan S, Tevoufouet EE, Neiss WF, Hescheler J, Schneider T: Cav2.3 (R-Type) Calcium Channels are Critical for Mediating Anticonvulsive and Neuroprotective Properties of Lamotrigine In Vivo. Cell Physiol Biochem. 2017;44(3):935-947. doi: 10.1159/000485361. Epub 2017 Nov 24."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	16174788	"Lipkind GM, Fozzard HA: Molecular modeling of local anesthetic drug binding by voltage-gated sodium channels. Mol Pharmacol. 2005 Dec;68(6):1611-22. Epub 2005 Sep 20."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000013	ADORA1	P30542	AA1R_HUMAN	inhibitor	22306746	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	inhibitor	22306746	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	22306746; 8813577	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Kaur S, Starr M: Motor effects of lamotrigine in naive and dopamine-depleted mice. Eur J Pharmacol. 1996 May 23;304(1-3):1-6. doi: 10.1016/0014-2999(96)00134-3."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	antagonist	22306746; 11955522; 8941036; 11927166	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Braga MF, Aroniadou-Anderjaska V, Post RM, Li H: Lamotrigine reduces spontaneous and evoked GABAA receptor-mediated synaptic transmission in the basolateral amygdala: implications for its effects in seizure and affective disorders. Neuropharmacology. 2002 Mar;42(4):522-9. doi: 10.1016/s0028-3908(01)00198-8.@@Meldrum BS: Update on the mechanism of action of antiepileptic drugs. Epilepsia. 1996;37 Suppl 6:S4-11. doi: 10.1111/j.1528-1157.1996.tb06038.x.@@Wang JF, Sun X, Chen B, Young LT: Lamotrigine increases gene expression of GABA-A receptor beta3 subunit in primary cultured rat hippocampus cells. Neuropsychopharmacology. 2002 Apr;26(4):415-21. doi: 10.1016/S0893-133X(01)00385-2."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	inhibitor	22306746; 11955522; 8941036	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Braga MF, Aroniadou-Anderjaska V, Post RM, Li H: Lamotrigine reduces spontaneous and evoked GABAA receptor-mediated synaptic transmission in the basolateral amygdala: implications for its effects in seizure and affective disorders. Neuropharmacology. 2002 Mar;42(4):522-9. doi: 10.1016/s0028-3908(01)00198-8.@@Meldrum BS: Update on the mechanism of action of antiepileptic drugs. Epilepsia. 1996;37 Suppl 6:S4-11. doi: 10.1111/j.1528-1157.1996.tb06038.x."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	22306746; 16049571; 11792461	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Bourin M, Masse F, Hascoet M: Evidence for the activity of lamotrigine at 5-HT(1A) receptors in the mouse forced swimming test. J Psychiatry Neurosci. 2005 Jul;30(4):275-82.@@Vinod KY, Subhash MN: Lamotrigine induced selective changes in 5-HT(1A) receptor mediated response in rat brain. Neurochem Int. 2002 Apr;40(4):315-9. doi: 10.1016/s0197-0186(01)00088-2."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000632	OPRK1	P41145	OPRK_HUMAN	inhibitor	22306746; 24904419	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Chartoff EH, Connery HS: It's MORe exciting than mu: crosstalk between mu opioid receptors and glutamatergic transmission in the mesolimbic dopamine system. Front Pharmacol. 2014 May 27;5:116. doi: 10.3389/fphar.2014.00116. eCollection 2014."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0004661	CHRNA1	P02708	ACHA_HUMAN	inhibitor	22306746; 20688974; 17259859	"Abelaira HM, Reus GZ, Ribeiro KF, Zappellini G, Cipriano AL, Scaini G, Streck EL, Quevedo J: Lamotrigine treatment reverses depressive-like behavior and alters BDNF levels in the brains of maternally deprived adult rats. Pharmacol Biochem Behav. 2012 May;101(3):348-53. doi: 10.1016/j.pbb.2012.01.019. Epub 2012 Jan 27.@@Zheng C, Yang K, Liu Q, Wang MY, Shen J, Valles AS, Lukas RJ, Barrantes FJ, Wu J: The anticonvulsive drug lamotrigine blocks neuronal {alpha}4{beta}2 nicotinic acetylcholine receptors. J Pharmacol Exp Ther. 2010 Nov;335(2):401-8. doi: 10.1124/jpet.110.171108. Epub 2010 Aug 5.@@Valles AS, Garbus I, Barrantes FJ: Lamotrigine is an open-channel blocker of the nicotinic acetylcholine receptor. Neuroreport. 2007 Jan 8;18(1):45-50. doi: 10.1097/01.wnr.0000246323.66438.94."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00555	Lamotrigine	BE0000640	GRIA1	P42261	GRIA1_HUMAN	inhibitor	23976856; 22564541	"Lapidus KA, Soleimani L, Murrough JW: Novel glutamatergic drugs for the treatment of mood disorders. Neuropsychiatr Dis Treat. 2013;9:1101-12. doi: 10.2147/NDT.S36689. Epub 2013 Aug 7.@@Leng Y, Fessler EB, Chuang DM: Neuroprotective effects of the mood stabilizer lamotrigine against glutamate excitotoxicity: roles of chromatin remodelling and Bcl-2 induction. Int J Neuropsychopharmacol. 2013 Apr;16(3):607-20. doi: 10.1017/S1461145712000429. Epub 2012 May 8."	Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sodium Channel Blockers; UGT1A1 Inducers; OCT2 Inhibitors; QTc Prolonging Agents; Agents producing tachycardia; OCT1 substrates; Miscellaneous Anticonvulsants; Central Nervous System Depressants; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; UGT1A3 substrates; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Mood Stabilizer; Triazines; Antiarrhythmic agents; Muscarinic Antagonists; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; UGT1A1 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1					238	46505408	D00354	PA450164		DAP000039	Lamotrigine	CHEMBL741	28439
DB00557	Hydroxyzine	BE0000442	HRH1	P35367	HRH1_HUMAN	inverse agonist	17222324; 23330992	"Spahr L, Coeytaux A, Giostra E, Hadengue A, Annoni JM: Histamine H1 blocker hydroxyzine improves sleep in patients with cirrhosis and minimal hepatic encephalopathy: a randomized controlled pilot trial. Am J Gastroenterol. 2007 Apr;102(4):744-53. Epub 2007 Jan 11.@@Altamura AC, Moliterno D, Paletta S, Maffini M, Mauri MC, Bareggi S: Understanding the pharmacokinetics of anxiolytic drugs. Expert Opin Drug Metab Toxicol. 2013 Apr;9(4):423-40. doi: 10.1517/17425255.2013.759209. Epub 2013 Jan 21."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Psycholeptics; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Histamine Receptor Antagonists; Anti-Anxiety Agents; Diphenylmethane Derivatives; Neurotransmitter Agents; Nervous System; Histamine Agents	OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1		Hydroxyzine H1-Antihistamine Action	drug_action		8008	46508556	D08054	PA449943		DAP000324	Hydroxyzine	CHEMBL896	5553
DB00559	Bosentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN	antagonist	11752352; 7921608; 16335785; 9806221; 7858879; 15629255	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gardiner SM, Kemp PA, March JE, Bennett T: Effects of bosentan (Ro 47-0203), an ETA-, ETB-receptor antagonist, on regional haemodynamic responses to endothelins in conscious rats. Br J Pharmacol. 1994 Jul;112(3):823-30.@@Gupta SK, Saxena A, Singh U, Arya DS: Bosentan, the mixed ETA-ETB endothelin receptor antagonist, attenuated oxidative stress after experimental myocardial ischemia and reperfusion. Mol Cell Biochem. 2005 Jul;275(1-2):67-74.@@Marano G, Palazzesi S, Bernucci P, Grigioni M, Formigari R, Ballerini L: ET(A)/ET(B) receptor antagonist bosentan inhibits neointimal development in collared carotid arteries of rabbits. Life Sci. 1998;63(18):PL259-66.@@Richard V, Kaeffer N, Hogie M, Tron C, Blanc T, Thuillez C: Role of endogenous endothelin in myocardial and coronary endothelial injury after ischaemia and reperfusion in rats: studies with bosentan, a mixed ETA-ETB antagonist. Br J Pharmacol. 1994 Nov;113(3):869-76.@@Said SA, Ammar el SM, Suddek GM: Effect of bosentan (ETA/ETB receptor antagonist) on metabolic changes during stress and diabetes. Pharmacol Res. 2005 Feb;51(2):107-15."	Approved; Investigational	Bipyrimidines and oligopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Antihypertensives for Pulmonary Arterial Hypertension; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP3A4 Inducers (moderate); Benzene Derivatives; Cytochrome P-450 CYP2C9 Inducers (moderate); Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sulfonamides; Hepatotoxic Agents; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Benzenesulfonamides; Pyrimidines; Endothelin Receptor Antagonists; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Sulfur Compounds	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1					12538	46507154	D01227	PA10034		DNC000341	Bosentan	CHEMBL957	75207
DB00559	Bosentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN	antagonist	11728166; 11752352; 11447307; 11704565; 10961375; 11849873	"Albertini M, Lafortuna CL, Ciminaghi B, Mazzola S, Clement MG: Endothelin involvement in respiratory centre activity. Prostaglandins Leukot Essent Fatty Acids. 2001 Sep;65(3):157-63.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kiowski W, Sutsch G, Oechslin E, Bertel O: Hemodynamic effects of bosentan in patients with chronic heart failure. Heart Fail Rev. 2001 Dec;6(4):325-34.@@Kramp R, Fourmanoir P, Caron N: Endothelin resets renal blood flow autoregulatory efficiency during acute blockade of NO in the rat. Am J Physiol Renal Physiol. 2001 Dec;281(6):F1132-40.@@Martin C, Held HD, Uhlig S: Differential effects of the mixed ET(A)/ET(B)-receptor antagonist bosentan on endothelin-induced bronchoconstriction, vasoconstriction and prostacyclin release. Naunyn Schmiedebergs Arch Pharmacol. 2000 Aug;362(2):128-36.@@Sihvola RK, Pulkkinen VP, Koskinen PK, Lemstrom KB: Crosstalk of endothelin-1 and platelet-derived growth factor in cardiac allograft arteriosclerosis. J Am Coll Cardiol. 2002 Feb 20;39(4):710-7."	Approved; Investigational	Bipyrimidines and oligopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Antihypertensives for Pulmonary Arterial Hypertension; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP3A4 Inducers (moderate); Benzene Derivatives; Cytochrome P-450 CYP2C9 Inducers (moderate); Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sulfonamides; Hepatotoxic Agents; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Benzenesulfonamides; Pyrimidines; Endothelin Receptor Antagonists; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Sulfur Compounds	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1					12538	46507154	D01227	PA10034		DNC000341	Bosentan	CHEMBL957	75207
DB00561	Doxapram	BE0003583	KCNK9	Q9NPC2	KCNK9_HUMAN	inhibitor	17227289; 7617294; 1667613	"Yost CS: A new look at the respiratory stimulant doxapram. CNS Drug Rev. 2006 Fall-Winter;12(3-4):236-49.@@Anderson-Beck R, Wilson L, Brazier S, Hughes IE, Peers C: Doxapram stimulates dopamine release from the intact rat carotid body in vitro. Neurosci Lett. 1995 Feb 24;187(1):25-8.@@Peers C: Effects of doxapram on ionic currents recorded in isolated type I cells of the neonatal rat carotid body. Brain Res. 1991 Dec 24;568(1-2):116-22."	Approved; Vet_approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Pyrrolidines; Central Nervous System Agents; Increased Medullary Respiratory Drive; Agents that produce hypertension; Pyrrolidinones; Respiratory System Agents; Central Nervous System Stimulants	CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1					10198	46506829	D07873	PA164784026		DAP001295	Doxapram	CHEMBL1754	3637
DB00562	Benzthiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	31285285; 12538756	"Blanchard A, Vallet M, Dubourg L, Hureaux M, Allard J, Haymann JP, de la Faille R, Arnoux A, Dinut A, Bergerot D, Becker PH, Courand PY, Baron S, Houillier P, Tack I, Devuyst O, Jeunemaitre X, Azizi M, Vargas-Poussou R: Resistance to Insulin in Patients with Gitelman Syndrome and a Subtle Intermediate Phenotype in Heterozygous Carriers: A Cross-Sectional Study. J Am Soc Nephrol. 2019 Aug;30(8):1534-1545. doi: 10.1681/ASN.2019010031. Epub 2019 Jul 8.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Stimulants; Thiazides"	NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O						46506752	D00651	PA164776841		DAP000603	Benzthiazide	CHEMBL1201039	19008
DB00562	Benzthiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor			Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Stimulants; Thiazides"	NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O						46506752	D00651	PA164776841		DAP000603	Benzthiazide	CHEMBL1201039	19008
DB00562	Benzthiazide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor			Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Stimulants; Thiazides"	NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O						46506752	D00651	PA164776841		DAP000603	Benzthiazide	CHEMBL1201039	19008
DB00563	Methotrexate	BE0000330	DHFR	P00374	DYR_HUMAN	inhibitor	16971132; 17333344; 17130456; 11752352; 16647263; 16936229; 24284432	"Al-Rashood ST, Aboldahab IA, Nagi MN, Abouzeid LA, Abdel-Aziz AA, Abdel-Hamide SG, Youssef KM, Al-Obaid AM, El-Subbagh HI: Synthesis, dihydrofolate reductase inhibition, antitumor testing, and molecular modeling study of some new 4(3H)-quinazolinone analogs. Bioorg Med Chem. 2006 Dec 15;14(24):8608-21. Epub 2006 Sep 12.@@Assaraf YG: Molecular basis of antifolate resistance. Cancer Metastasis Rev. 2007 Mar;26(1):153-81.@@Bennett B, Langan P, Coates L, Mustyakimov M, Schoenborn B, Howell EE, Dealwis C: Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate. Proc Natl Acad Sci U S A. 2006 Dec 5;103(49):18493-8. Epub 2006 Nov 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Totani K, Matsuo I, Ihara Y, Ito Y: High-mannose-type glycan modifications of dihydrofolate reductase using glycan-methotrexate conjugates. Bioorg Med Chem. 2006 Aug 1;14(15):5220-9. Epub 2006 May 2.@@Uga H, Kuramori C, Ohta A, Tsuboi Y, Tanaka H, Hatakeyama M, Yamaguchi Y, Takahashi T, Kizaki M, Handa H: A new mechanism of methotrexate action revealed by target screening with affinity beads. Mol Pharmacol. 2006 Nov;70(5):1832-9. Epub 2006 Aug 25.@@Inoue K, Yuasa H: Molecular basis for pharmacokinetics and pharmacodynamics of methotrexate in rheumatoid arthritis therapy. Drug Metab Pharmacokinet. 2014;29(1):12-9. Epub 2013 Nov 26."	Approved	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Myelosuppressive Agents; Cancer immunotherapy; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Nephrotoxic agents; Dermatologicals; Noxae; OAT1/SLC22A6 inhibitors; Immunotherapy; Folic Acid Analogues; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Photosensitizing Agents; Abortifacient Agents; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Pterins; Pigments, Biological; Antineoplastic Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Biological Factors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Hepatotoxic Agents; Drugs causing inadvertant photosensitivity; Folic Acid Antagonists; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Abortifacient Agents, Nonsteroidal; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Pteridines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Antirheumatic Agents; Toxic Actions; Reproductive Control Agents"	CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O		Methotrexate Action Pathway	drug_action		6197	46507678	D00142	PA450428		DNC000933	Methotrexate	CHEMBL34259	6851
DB00564	Carbamazepine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	20526191; 12391287; 20643904; 15208697	"Yang YC, Huang CS, Kuo CC: Lidocaine, carbamazepine, and imipramine have partially overlapping binding sites and additive inhibitory effect on neuronal Na+ channels. Anesthesiology. 2010 Jul;113(1):160-74. doi: 10.1097/ALN.0b013e3181dc1dd6.@@Yang YC, Kuo CC: Inhibition of Na(+) current by imipramine and related compounds: different binding kinetics as an inactivation stabilizer and as an open channel blocker. Mol Pharmacol. 2002 Nov;62(5):1228-37.@@Lipkind GM, Fozzard HA: Molecular model of anticonvulsant drug binding to the voltage-gated sodium channel inner pore. Mol Pharmacol. 2010 Oct;78(4):631-8. doi: 10.1124/mol.110.064683. Epub 2010 Jul 19.@@Rogawski MA, Loscher W: The neurobiology of antiepileptic drugs. Nat Rev Neurosci. 2004 Jul;5(7):553-64. doi: 10.1038/nrn1430."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Sodium Channel Blockers; Myelosuppressive Agents; Sensory System Agents; UGT1A1 Inducers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Carboxamide Derivatives; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A6 inducer; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antimanic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Analgesics, Non-Narcotic; Cytochrome P-450 CYP2C19 Inducers (moderate); Dibenzazepines; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Mood Stabilizer; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Psychotropic Drugs; UGT2B7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Inducers of Drug Clearance; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strong)"	NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12		Carbamazepine Metabolism Pathway	drug_metabolism		4182	46507583	D00252	PA448785		DAP000129	Carbamazepine	CHEMBL108	2002
DB00564	Carbamazepine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		12110613; 20561518; 15309115	"Ortells MO, Barrantes GE: Molecular modelling of the interactions of carbamazepine and a nicotinic receptor involved in the autosomal dominant nocturnal frontal lobe epilepsy. Br J Pharmacol. 2002 Jul;136(6):883-95. doi: 10.1038/sj.bjp.0704786.@@Di Resta C, Ambrosi P, Curia G, Becchetti A: Effect of carbamazepine and oxcarbazepine on wild-type and mutant neuronal nicotinic acetylcholine receptors linked to nocturnal frontal lobe epilepsy. Eur J Pharmacol. 2010 Sep 15;643(1):13-20. doi: 10.1016/j.ejphar.2010.05.063. Epub 2010 Jun 16.@@Bertrand D: Neuronal Nicotinic Acetylcholine Receptors and Epilepsy. Epilepsy Curr. 2002 Nov;2(6):191-193. doi: 10.1046/j.1535-7597.2002.00072.x."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Sodium Channel Blockers; Myelosuppressive Agents; Sensory System Agents; UGT1A1 Inducers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Carboxamide Derivatives; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A6 inducer; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antimanic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Analgesics, Non-Narcotic; Cytochrome P-450 CYP2C19 Inducers (moderate); Dibenzazepines; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Mood Stabilizer; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Psychotropic Drugs; UGT2B7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Inducers of Drug Clearance; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strong)"	NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12		Carbamazepine Metabolism Pathway	drug_metabolism		4182	46507583	D00252	PA448785		DAP000129	Carbamazepine	CHEMBL108	2002
DB00564	Carbamazepine	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	14977870	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Sodium Channel Blockers; Myelosuppressive Agents; Sensory System Agents; UGT1A1 Inducers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT2B7 substrates; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Carboxamide Derivatives; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A6 inducer; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Thyroxine-binding globulin substrates; Antimanic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Analgesics, Non-Narcotic; Cytochrome P-450 CYP2C19 Inducers (moderate); Dibenzazepines; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Mood Stabilizer; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Psychotropic Drugs; UGT2B7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Inducers of Drug Clearance; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strong)"	NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12		Carbamazepine Metabolism Pathway	drug_metabolism		4182	46507583	D00252	PA448785		DAP000129	Carbamazepine	CHEMBL108	2002
DB00565	Cisatracurium	BE0009927	CHRNA10	P30926	ACHB4_HUMAN	antagonist	12171561	"Tuba Z, Maho S, Vizi ES: Synthesis and structure-activity relationships of neuromuscular blocking agents. Curr Med Chem. 2002 Aug;9(16):1507-36."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Benzylisoquinolines; Anticholinergic Agents; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Neuromuscular Nondepolarizing Blockade; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2					11084	46506666		PA164744925		DAP000196	Cisatracurium_besilate	CHEMBL1201248	319864
DB00565	Cisatracurium	BE0004661	CHRNA1	P02708	ACHA_HUMAN	antagonist	26540149	"Fanelli V, Morita Y, Cappello P, Ghazarian M, Sugumar B, Delsedime L, Batt J, Ranieri VM, Zhang H, Slutsky AS: Neuromuscular Blocking Agent Cisatracurium Attenuates Lung Injury by Inhibition of Nicotinic Acetylcholine Receptor-alpha1. Anesthesiology. 2016 Jan;124(1):132-40. doi: 10.1097/ALN.0000000000000907."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Benzylisoquinolines; Anticholinergic Agents; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Neuromuscular Nondepolarizing Blockade; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2					11084	46506666		PA164744925		DAP000196	Cisatracurium_besilate	CHEMBL1201248	319864
DB00565	Cisatracurium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	18363689	"Patterson E, Scherlag BJ, Zhou J, Jackman WM, Lazzara R, Coscia D, Po S: Antifibrillatory actions of cisatracurium: an atrial specific M2 receptor antagonist. J Cardiovasc Electrophysiol. 2008 Aug;19(8):861-8. doi: 10.1111/j.1540-8167.2008.01123.x. Epub 2008 Mar 21."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Benzylisoquinolines; Anticholinergic Agents; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Neuromuscular Nondepolarizing Blockade; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2					11084	46506666		PA164744925		DAP000196	Cisatracurium_besilate	CHEMBL1201248	319864
DB00568	Cinnarizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 2866055	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0002357	CACNA1F	O60840	CAC1F_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0000756	DRD2	P14416	DRD2_HUMAN	other/unknown	7714010; 9014432	"Brucke T, Wober C, Podreka I, Wober-Bingol C, Asenbaum S, Aull S, Wenger S, Ilieva D, Harasko-van der Meer C, Wessely P, et al.: D2 receptor blockade by flunarizine and cinnarizine explains extrapyramidal side effects. A SPECT study. J Cereb Blood Flow Metab. 1995 May;15(3):513-8.@@Kuzuhara S: [Drug-induced parkinsonism]. Nihon Rinsho. 1997 Jan;55(1):112-7."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00568	Cinnarizine	BE0004890	CHRM1	P08912	ACM5_HUMAN	binder	11180191	"Nasu R, Matsuo H, Takanaga H, Ohtani H, Sawada Y: Quantitative prediction of catalepsy induced by amoxapine, cinnarizine and cyclophosphamide in mice. Biopharm Drug Dispos. 2000 May;21(4):129-38."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00570	Vinblastine	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN	binder	18220533; 1818332; 9664292; 15579115; 14619954	"Jordan MA, Kamath K: How do microtubule-targeted drugs work? An overview. Curr Cancer Drug Targets. 2007 Dec;7(8):730-42.@@Correia JJ: Effects of antimitotic agents on tubulin-nucleotide interactions. Pharmacol Ther. 1991 Nov;52(2):127-47.@@Jordan A, Hadfield JA, Lawrence NJ, McGown AT: Tubulin as a target for anticancer drugs: agents which interact with the mitotic spindle. Med Res Rev. 1998 Jul;18(4):259-96.@@Islam MN, Iskander MN: Microtubulin binding sites as target for developing anticancer agents. Mini Rev Med Chem. 2004 Dec;4(10):1077-104.@@Gupta S, Bhattacharyya B: Antimicrotubular drugs binding to vinca domain of tubulin. Mol Cell Biochem. 2003 Nov;253(1-2):41-7."	Approved	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Cytochrome P-450 Enzyme Inducers; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Indolizines"	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC		Vinblastine Action Pathway	drug_action		9407	46504550		PA451877		DAP000785	Vinblastine	CHEMBL159	11198
DB00570	Vinblastine	BE0000143	TUBB	P07437	TBB5_HUMAN	binder	18220533; 1818332; 9664292; 15579115; 14619954	"Jordan MA, Kamath K: How do microtubule-targeted drugs work? An overview. Curr Cancer Drug Targets. 2007 Dec;7(8):730-42.@@Correia JJ: Effects of antimitotic agents on tubulin-nucleotide interactions. Pharmacol Ther. 1991 Nov;52(2):127-47.@@Jordan A, Hadfield JA, Lawrence NJ, McGown AT: Tubulin as a target for anticancer drugs: agents which interact with the mitotic spindle. Med Res Rev. 1998 Jul;18(4):259-96.@@Islam MN, Iskander MN: Microtubulin binding sites as target for developing anticancer agents. Mini Rev Med Chem. 2004 Dec;4(10):1077-104.@@Gupta S, Bhattacharyya B: Antimicrotubular drugs binding to vinca domain of tubulin. Mol Cell Biochem. 2003 Nov;253(1-2):41-7."	Approved	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Cytochrome P-450 Enzyme Inducers; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Indolizines"	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC		Vinblastine Action Pathway	drug_action		9407	46504550		PA451877		DAP000785	Vinblastine	CHEMBL159	11198
DB00570	Vinblastine	BE0003711	TUBD1	Q9UJT1	TBD_HUMAN	binder	18220533; 1818332; 9664292; 15579115; 14619954	"Jordan MA, Kamath K: How do microtubule-targeted drugs work? An overview. Curr Cancer Drug Targets. 2007 Dec;7(8):730-42.@@Correia JJ: Effects of antimitotic agents on tubulin-nucleotide interactions. Pharmacol Ther. 1991 Nov;52(2):127-47.@@Jordan A, Hadfield JA, Lawrence NJ, McGown AT: Tubulin as a target for anticancer drugs: agents which interact with the mitotic spindle. Med Res Rev. 1998 Jul;18(4):259-96.@@Islam MN, Iskander MN: Microtubulin binding sites as target for developing anticancer agents. Mini Rev Med Chem. 2004 Dec;4(10):1077-104.@@Gupta S, Bhattacharyya B: Antimicrotubular drugs binding to vinca domain of tubulin. Mol Cell Biochem. 2003 Nov;253(1-2):41-7."	Approved	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Tubulin Modulators; Antimitotic Agents; Indolizidines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Indoles; Cytochrome P-450 Enzyme Inducers; Vinca Alkaloids; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Indolizines"	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC		Vinblastine Action Pathway	drug_action		9407	46504550		PA451877		DAP000785	Vinblastine	CHEMBL159	11198
DB00572	Atropine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	16248990; 17087737; 15333678; 17588565; 16188951; 7855217; 22222705; 1323653	"Roman S, Badia A, Camps P, Munoz-Torrero D, Clos MV: Nicotinic-receptor potentiator drugs, huprine X and galantamine, increase ACh release by blocking AChE activity but not acting on nicotinic receptors. Brain Res. 2005 Nov 9;1061(2):73-9. Epub 2005 Oct 24.@@Minaba M, Ichiyama S, Kojima K, Ozaki M, Kato Y: Activation of nematode G protein GOA-1 by the human muscarinic acetylcholine receptor M2 subtype. Functional coupling of G-protein-coupled receptor and G protein originated from evolutionarily distant animals. FEBS J. 2006 Dec;273(24):5508-16. Epub 2006 Nov 3.@@May LT, Lin Y, Sexton PM, Christopoulos A: Regulation of M2 muscarinic acetylcholine receptor expression and signaling by prolonged exposure to allosteric modulators. J Pharmacol Exp Ther. 2005 Jan;312(1):382-90. Epub 2004 Aug 27.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00572	Atropine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7855217; 22222705; 1323653	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00572	Atropine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	7855217; 22222705; 1323653	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Buels KS, Fryer AD: Muscarinic receptor antagonists: effects on pulmonary function. Handb Exp Pharmacol. 2012;(208):317-41. doi: 10.1007/978-3-642-23274-9_14.@@Wall SJ, Yasuda RP, Li M, Ciesla W, Wolfe BB: Differential regulation of subtypes m1-m5 of muscarinic receptors in forebrain by chronic atropine administration. J Pharmacol Exp Ther. 1992 Aug;262(2):584-8."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00572	Atropine	BE0000433	GLRA1	P23415	GLRA1_HUMAN	antagonist	15081878	"Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00572	Atropine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		15733544	"Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00572	Atropine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		15733544	"Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108."	Approved; Vet_approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"QTc Prolonging Agents; Anti-Asthmatic Agents; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cardiovascular Agents; Belladonna and Derivatives, Plain; Alkaloids; Solanaceous Alkaloids; Bronchodilator Agents; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Mydriatics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; BSEP/ABCB11 Substrates; Parasympatholytics; Adjuvants, Anesthesia; Antiarrhythmic agents; Muscarinic Antagonists; Ophthalmologicals; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Belladonna Alkaloids, Tertiary Amines; Sensory Organs"	CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1					8972	46507540	D00113	PA448505		DAP000377	Atropine	CHEMBL517712	1223
DB00573	Fenoprofen	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Phenylpropionates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1		Fenoprofen Action Pathway	drug_action		11356	46504597	D00968	PA449597		DAP000619	Fenoprofen	CHEMBL1297	4331
DB00573	Fenoprofen	BE0000215	PPARG	P37231	PPARG_HUMAN		9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Phenylpropionates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1		Fenoprofen Action Pathway	drug_action		11356	46504597	D00968	PA449597		DAP000619	Fenoprofen	CHEMBL1297	4331
DB00574	Fenfluramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	substrate	18991872; 16452989; 14675103; 14515341; 20842720; 24287719	"Rothman RB, Zolkowska D, Baumann MH: Serotonin (5-HT) transporter ligands affect plasma 5-HT in rats. Ann N Y Acad Sci. 2008 Oct;1139:268-84. doi: 10.1196/annals.1432.042.@@Xie T, Tong L, McLane MW, Hatzidimitriou G, Yuan J, McCann U, Ricaurte G: Loss of serotonin transporter protein after MDMA and other ring-substituted amphetamines. Neuropsychopharmacology. 2006 Dec;31(12):2639-51. Epub 2006 Jan 25.@@Johnson GJ, Leis LA, Dunlop PC, Weir EK: The effect of the anorectic agent, d-fenfluramine, and its primary metabolite, d-norfenfluramine, on intact human platelet serotonin uptake and efflux. J Thromb Haemost. 2003 Dec;1(12):2663-8.@@Rothman RB, Jayanthi S, Wang X, Dersch CM, Cadet JL, Prisinzano T, Rice KC, Baumann MH: High-dose fenfluramine administration decreases serotonin transporter binding, but not serotonin transporter protein levels, in rat forebrain. Synapse. 2003 Dec 1;50(3):233-9.@@Rothman RB, Baumann MH, Blough BE, Jacobson AE, Rice KC, Partilla JS: Evidence for noncompetitive modulation of substrate-induced serotonin release. Synapse. 2010 Nov;64(11):862-9. doi: 10.1002/syn.20804.@@Baumann MH, Bulling S, Benaderet TS, Saha K, Ayestas MA, Partilla JS, Ali SF, Stockner T, Rothman RB, Sandtner W, Sitte HH: Evidence for a role of transporter-mediated currents in the depletion of brain serotonin induced by serotonin transporter substrates. Neuropsychopharmacology. 2014 May;39(6):1355-65. doi: 10.1038/npp.2013.331. Epub 2013 Nov 28."	Approved; Illicit; Investigational; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Membrane Transport Modulators; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Stimulants; Serotonin Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	CCNC(C)CC1=CC=CC(=C1)C(F)(F)F					20268	46506096	D07945	PA449592		DAP001478	Fenfluramine	CHEMBL87493	4328
DB00574	Fenfluramine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	31116409; 26822114; 28428755	"Schoonjans AS, Ceulemans B: An Old Drug for a New Indication: Repurposing Fenfluramine From an Anorexigen to an Antiepileptic Drug. Clin Pharmacol Ther. 2019 Nov;106(5):929-932. doi: 10.1002/cpt.1469. Epub 2019 May 22.@@Sourbron J, Schneider H, Kecskes A, Liu Y, Buening EM, Lagae L, Smolders I, de Witte P: Serotonergic Modulation as Effective Treatment for Dravet Syndrome in a Zebrafish Mutant Model. ACS Chem Neurosci. 2016 May 18;7(5):588-98. doi: 10.1021/acschemneuro.5b00342. Epub 2016 Feb 17.@@Sourbron J, Smolders I, de Witte P, Lagae L: Pharmacological Analysis of the Anti-epileptic Mechanisms of Fenfluramine in scn1a Mutant Zebrafish. Front Pharmacol. 2017 Apr 6;8:191. doi: 10.3389/fphar.2017.00191. eCollection 2017."	Approved; Illicit; Investigational; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Membrane Transport Modulators; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Stimulants; Serotonin Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	CCNC(C)CC1=CC=CC(=C1)C(F)(F)F					20268	46506096	D07945	PA449592		DAP001478	Fenfluramine	CHEMBL87493	4328
DB00574	Fenfluramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	10617681; 12708517; 15869562; 16249524; 16973729; 32169824; 10498829; 29805740; 31116409; 26822114; 28428755	"Fitzgerald LW, Burn TC, Brown BS, Patterson JP, Corjay MH, Valentine PA, Sun JH, Link JR, Abbaszade I, Hollis JM, Largent BL, Hartig PR, Hollis GF, Meunier PC, Robichaud AJ, Robertson DW: Possible role of valvular serotonin 5-HT(2B) receptors in the cardiopathy associated with fenfluramine. Mol Pharmacol. 2000 Jan;57(1):75-81.@@McCreary AC, Filip M, Cunningham KA: Discriminative stimulus properties of (+/-)-fenfluramine: the role of 5-HT2 receptor subtypes. Behav Neurosci. 2003 Apr;117(2):212-21.@@Schuhler S, Clark A, Joseph W, Patel A, Lehnen K, Stratford E, Horan TL, Fone KC, Ebling FJ: Involvement of 5-HT receptors in the regulation of food intake in Siberian hamsters. J Neuroendocrinol. 2005 May;17(5):276-85.@@Miller KJ: Serotonin 5-ht2c receptor agonists: potential for the treatment of obesity. Mol Interv. 2005 Oct;5(5):282-91.@@Nonogaki K, Nozue K, Oka Y: Hyperphagia alters expression of hypothalamic 5-HT2C and 5-HT1B receptor genes and plasma des-acyl ghrelin levels in Ay mice. Endocrinology. 2006 Dec;147(12):5893-900. Epub 2006 Sep 14.@@Martin P, de Witte PAM, Maurice T, Gammaitoni A, Farfel G, Galer B: Fenfluramine acts as a positive modulator of sigma-1 receptors. Epilepsy Behav. 2020 Apr;105:106989. doi: 10.1016/j.yebeh.2020.106989. Epub 2020 Mar 10.@@Porter RH, Benwell KR, Lamb H, Malcolm CS, Allen NH, Revell DF, Adams DR, Sheardown MJ: Functional characterization of agonists at recombinant human 5-HT2A, 5-HT2B and 5-HT2C receptors in CHO-K1 cells. Br J Pharmacol. 1999 Sep;128(1):13-20.@@Rodriguez-Munoz M, Sanchez-Blazquez P, Garzon J: Fenfluramine diminishes NMDA receptor-mediated seizures via its mixed activity at serotonin 5HT2A and type 1 sigma receptors. Oncotarget. 2018 May 4;9(34):23373-23389. doi: 10.18632/oncotarget.25169. eCollection 2018 May 4.@@Schoonjans AS, Ceulemans B: An Old Drug for a New Indication: Repurposing Fenfluramine From an Anorexigen to an Antiepileptic Drug. Clin Pharmacol Ther. 2019 Nov;106(5):929-932. doi: 10.1002/cpt.1469. Epub 2019 May 22.@@Sourbron J, Schneider H, Kecskes A, Liu Y, Buening EM, Lagae L, Smolders I, de Witte P: Serotonergic Modulation as Effective Treatment for Dravet Syndrome in a Zebrafish Mutant Model. ACS Chem Neurosci. 2016 May 18;7(5):588-98. doi: 10.1021/acschemneuro.5b00342. Epub 2016 Feb 17.@@Sourbron J, Smolders I, de Witte P, Lagae L: Pharmacological Analysis of the Anti-epileptic Mechanisms of Fenfluramine in scn1a Mutant Zebrafish. Front Pharmacol. 2017 Apr 6;8:191. doi: 10.3389/fphar.2017.00191. eCollection 2017."	Approved; Illicit; Investigational; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Membrane Transport Modulators; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Stimulants; Serotonin Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	CCNC(C)CC1=CC=CC(=C1)C(F)(F)F					20268	46506096	D07945	PA449592		DAP001478	Fenfluramine	CHEMBL87493	4328
DB00575	Clonidine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	11082457	"Millan MJ, Dekeyne A, Newman-Tancredi A, Cussac D, Audinot V, Milligan G, Duqueyroix D, Girardon S, Mullot J, Boutin JA, Nicolas JP, Renouard-Try A, Lacoste JM, Cordi A: S18616, a highly potent, spiroimidazoline agonist at alpha(2)-adrenoceptors: I. Receptor profile, antinociceptive and hypothermic actions in comparison with dexmedetomidine and clonidine. J Pharmacol Exp Ther. 2000 Dec;295(3):1192-205."	Approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Sensory System Agents; Antiadrenergic Agents, Centrally Acting; Central alpha-2 Adrenergic Agonist; Anesthetics, General; Adrenergic alpha-Agonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Sympatholytics; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Anesthetics; Antiglaucoma Preparations and Miotics; Imidazoles; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Imidazolines; Peripheral Nervous System Agents; Analgesics; Adrenergic alpha-1 Receptor Agonists; Central Alpha-agonists; Imidazoline Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Ophthalmologicals; Antimigraine Preparations; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs"	ClC1=CC=CC(Cl)=C1NC1=NCCN1					2564	46508119	D00281	PA449051		DAP000231	Clonidine	CHEMBL134	2599
DB00575	Clonidine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	11082457	"Millan MJ, Dekeyne A, Newman-Tancredi A, Cussac D, Audinot V, Milligan G, Duqueyroix D, Girardon S, Mullot J, Boutin JA, Nicolas JP, Renouard-Try A, Lacoste JM, Cordi A: S18616, a highly potent, spiroimidazoline agonist at alpha(2)-adrenoceptors: I. Receptor profile, antinociceptive and hypothermic actions in comparison with dexmedetomidine and clonidine. J Pharmacol Exp Ther. 2000 Dec;295(3):1192-205."	Approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Sensory System Agents; Antiadrenergic Agents, Centrally Acting; Central alpha-2 Adrenergic Agonist; Anesthetics, General; Adrenergic alpha-Agonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Sympatholytics; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Anesthetics; Antiglaucoma Preparations and Miotics; Imidazoles; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Imidazolines; Peripheral Nervous System Agents; Analgesics; Adrenergic alpha-1 Receptor Agonists; Central Alpha-agonists; Imidazoline Receptor Agonists; Sympathomimetics in Glaucoma Therapy; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Ophthalmologicals; Antimigraine Preparations; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs"	ClC1=CC=CC(Cl)=C1NC1=NCCN1					2564	46508119	D00281	PA449051		DAP000231	Clonidine	CHEMBL134	2599
DB00579	Mazindol	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	15300361; 16954558; 10966747; 2120386; 12885787; 9537821	"Raffel DM, Chen W: Binding of [3H]mazindol to cardiac norepinephrine transporters: kinetic and equilibrium studies. Naunyn Schmiedebergs Arch Pharmacol. 2004 Jul;370(1):9-16. Epub 2004 Jul 22.@@Raffel DM, Chen W, Sherman PS, Gildersleeve DL, Jung YW: Dependence of cardiac 11C-meta-hydroxyephedrine retention on norepinephrine transporter density. J Nucl Med. 2006 Sep;47(9):1490-6.@@Zhao L, Johnson KM, Zhang M, Flippen-Anderson J, Kozikowski AP: Chemical synthesis and pharmacology of 6- and 7-hydroxylated 2-carbomethoxy-3-(p-tolyl)tropanes: antagonism of cocaine's locomotor stimulant effects. J Med Chem. 2000 Aug 24;43(17):3283-94.@@Ritz MC, Boja JW, Grigoriadis D, Zaczek R, Carroll FI, Lewis AH, Kuhar MJ: [3H]WIN 35,065-2: a ligand for cocaine receptors in striatum. J Neurochem. 1990 Nov;55(5):1556-62.@@Sharpe IA, Palant E, Schroeder CI, Kaye DM, Adams DJ, Alewood PF, Lewis RJ: Inhibition of the norepinephrine transporter by the venom peptide chi-MrIA. Site of action, Na+ dependence, and structure-activity relationship. J Biol Chem. 2003 Oct 10;278(41):40317-23. Epub 2003 Jul 28.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Isoindoles	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindoles	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Adrenergic Agents; Membrane Transport Modulators; Alimentary Tract and Metabolism; Serotonin Modulators; Anorexigenic Agents & Respiratory and Cerebral Stimulants, Miscellaneous; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Anorexigenic Agents & Respiratory and CNS Stimulants; Serotonin Agents; Central Nervous System Agents; Isoindoles; Neurotransmitter Agents; Dopamine Uptake Inhibitors; Dopamine Agents"	OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1					2431	46509094	D00367	PA450326		DAP000722	Mazindol	CHEMBL781	6664
DB00579	Mazindol	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10082805; 10823899; 10980236; 11248372; 11719704; 9537821; 12213055; 12213053	"Itzhak Y, Martin JL: Effects of cocaine, nicotine, dizocipline and alcohol on mice locomotor activity: cocaine-alcohol cross-sensitization involves upregulation of striatal dopamine transporter binding sites. Brain Res. 1999 Feb 13;818(2):204-11.@@Saunders C, Ferrer JV, Shi L, Chen J, Merrill G, Lamb ME, Leeb-Lundberg LM, Carvelli L, Javitch JA, Galli A: Amphetamine-induced loss of human dopamine transporter activity: an internalization-dependent and cocaine-sensitive mechanism. Proc Natl Acad Sci U S A. 2000 Jun 6;97(12):6850-5.@@Goettl VM, Wemlinger TA, Fong TG, Neff NH, Hadjiconstantinou M: Retinal cholinergic and dopaminergic deficits of aged rats are improved following treatment with GM1 ganglioside. Brain Res. 2000 Sep 15;877(1):1-6.@@Tidjane Corera A, Do-Rego JC, Costentin J, Bonnet JJ: Differential sensitivity to NaCl for inhibitors and substrates that recognize mutually exclusive binding sites on the neuronal transporter of dopamine in rat striatal membranes. Neurosci Res. 2001 Mar;39(3):319-25.@@Purkerson-Parker S, McDaniel KL, Moser VC: Dopamine transporter binding in the rat striatum is increased by gestational, perinatal, and adolescent exposure to heptachlor. Toxicol Sci. 2001 Dec;64(2):216-23.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Kulkarni SS, Newman AH, Houlihan WJ: Three-dimensional quantitative structure-activity relationships of mazindol analogues at the dopamine transporter. J Med Chem. 2002 Sep 12;45(19):4119-27.@@Houlihan WJ, Kelly L, Pankuch J, Koletar J, Brand L, Janowsky A, Kopajtic TA: Mazindol analogues as potential inhibitors of the cocaine binding site at the dopamine transporter. J Med Chem. 2002 Sep 12;45(19):4097-109."	Approved; Investigational	Isoindoles	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindoles	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Adrenergic Agents; Membrane Transport Modulators; Alimentary Tract and Metabolism; Serotonin Modulators; Anorexigenic Agents & Respiratory and Cerebral Stimulants, Miscellaneous; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Anorexigenic Agents & Respiratory and CNS Stimulants; Serotonin Agents; Central Nervous System Agents; Isoindoles; Neurotransmitter Agents; Dopamine Uptake Inhibitors; Dopamine Agents"	OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1					2431	46509094	D00367	PA450326		DAP000722	Mazindol	CHEMBL781	6664
DB00579	Mazindol	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Isoindoles	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindoles	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Adrenergic Agents; Membrane Transport Modulators; Alimentary Tract and Metabolism; Serotonin Modulators; Anorexigenic Agents & Respiratory and Cerebral Stimulants, Miscellaneous; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Anorexigenic Agents & Respiratory and CNS Stimulants; Serotonin Agents; Central Nervous System Agents; Isoindoles; Neurotransmitter Agents; Dopamine Uptake Inhibitors; Dopamine Agents"	OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1					2431	46509094	D00367	PA450326		DAP000722	Mazindol	CHEMBL781	6664
DB00580	Valdecoxib	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved; Investigational; Withdrawn	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Benzene Derivatives; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (weak); Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents"	CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O		Valdecoxib Action Pathway	drug_action			46506229		PA10226		DAP001541	Valdecoxib	CHEMBL865	278567
DB00583	Levocarnitine	BE0002204	XDH	P47989	XDH_HUMAN		8255367	"Di Giacomo C, Latteri F, Fichera C, Sorrenti V, Campisi A, Castorina C, Russo A, Pinturo R, Vanella A: Effect of acetyl-L-carnitine on lipid peroxidation and xanthine oxidase activity in rat skeletal muscle. Neurochem Res. 1993 Nov;18(11):1157-62."	Approved; Investigational	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism	C[N+](C)(C)C[C@H](O)CC([O-])=O		"Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)"	disease; metabolic		233	46505864	D02176	PA450154		DAP000958	Carnitine	CHEMBL1149	2106
DB00583	Levocarnitine	BE0000406	CPT1A	P50416	CPT1A_HUMAN	activator	12705401; 14711372; 15647998; 16283381; 16362726; 11752352	"Xu ZR, Wang MQ, Mao HX, Zhan XA, Hu CH: Effects of L-carnitine on growth performance, carcass composition, and metabolism of lipids in male broilers. Poult Sci. 2003 Mar;82(3):408-13.@@Morillas M, Lopez-Vinas E, Valencia A, Serra D, Gomez-Puertas P, Hegardt FG, Asins G: Structural model of carnitine palmitoyltransferase I based on the carnitine acetyltransferase crystal. Biochem J. 2004 May 1;379(Pt 3):777-84.@@Tripodi G, Modica R, Stella A, Bigatti G, Bianchi G, Stella P: Haplotype analysis of carnitine transporters and left ventricular mass in human essential hypertension. J Ren Nutr. 2005 Jan;15(1):2-7.@@Waldner R, Laschan C, Lohninger A, Gessner M, Tuchler H, Huemer M, Spiegel W, Karlic H: Effects of doxorubicin-containing chemotherapy and a combination with L-carnitine on oxidative metabolism in patients with non-Hodgkin lymphoma. J Cancer Res Clin Oncol. 2006 Feb;132(2):121-8. Epub 2005 Nov 8.@@Shin ES, Cho SY, Lee EH, Lee SJ, Chang IS, Lee TR: Positive regulation of hepatic carnitine palmitoyl transferase 1A (CPT1A) activities by soy isoflavones and L-carnitine. Eur J Nutr. 2006 Mar;45(3):159-64. Epub 2005 Dec 20.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism	C[N+](C)(C)C[C@H](O)CC([O-])=O		"Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)"	disease; metabolic		233	46505864	D02176	PA450154		DAP000958	Carnitine	CHEMBL1149	2106
DB00583	Levocarnitine	BE0000106	SLC22A5	O76082	S22A5_HUMAN		12175785; 12181285; 12183691; 12635840; 12644265	"Lahjouji K, Elimrani I, Wu J, Mitchell GA, Qureshi IA: A heterozygote phenotype is present in the jvs +/- mutant mouse livers. Mol Genet Metab. 2002 May;76(1):76-80.@@Kristufek D, Rudorfer W, Pifl C, Huck S: Organic cation transporter mRNA and function in the rat superior cervical ganglion. J Physiol. 2002 Aug 15;543(Pt 1):117-34.@@Ohashi R, Tamai I, Inano A, Katsura M, Sai Y, Nezu J, Tsuji A: Studies on functional sites of organic cation/carnitine transporter OCTN2 (SLC22A5) using a Ser467Cys mutant protein. J Pharmacol Exp Ther. 2002 Sep;302(3):1286-94.@@Hou JW: Primary systemic carnitine deficiency presenting as recurrent Reye-like syndrome and dilated cardiomyopathy. Chang Gung Med J. 2002 Dec;25(12):832-7.@@Friedrich A, Prasad PD, Freyer D, Ganapathy V, Brust P: Molecular cloning and functional characterization of the OCTN2 transporter at the RBE4 cells, an in vitro model of the blood-brain barrier. Brain Res. 2003 Apr 4;968(1):69-79."	Approved; Investigational	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism	C[N+](C)(C)C[C@H](O)CC([O-])=O		"Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)"	disease; metabolic		233	46505864	D02176	PA450154		DAP000958	Carnitine	CHEMBL1149	2106
DB00583	Levocarnitine	BE0000496	CRAT	P43155	CACP_HUMAN		12526798; 12562770; 12582227; 15099582; 15155769	"Jogl G, Tong L: Crystal structure of carnitine acetyltransferase and implications for the catalytic mechanism and fatty acid transport. Cell. 2003 Jan 10;112(1):113-22.@@Wu D, Govindasamy L, Lian W, Gu Y, Kukar T, Agbandje-McKenna M, McKenna R: Structure of human carnitine acetyltransferase. Molecular basis for fatty acyl transfer. J Biol Chem. 2003 Apr 11;278(15):13159-65. Epub 2003 Jan 31.@@Vikramadithyan RK, Hiriyan J, Suresh J, Gershome C, Babu RK, Misra P, Rajagopalan R, Chakrabarti R: DRF 2655: a unique molecule that reduces body weight and ameliorates metabolic abnormalities. Obes Res. 2003 Feb;11(2):292-303.@@Govindasamy L, Kukar T, Lian W, Pedersen B, Gu Y, Agbandje-McKenna M, Jin S, McKenna R, Wu D: Structural and mutational characterization of L-carnitine binding to human carnitine acetyltransferase. J Struct Biol. 2004 Jun;146(3):416-24.@@Cordente AG, Lopez-Vinas E, Vazquez MI, Swiegers JH, Pretorius IS, Gomez-Puertas P, Hegardt FG, Asins G, Serra D: Redesign of carnitine acetyltransferase specificity by protein engineering. J Biol Chem. 2004 Aug 6;279(32):33899-908. Epub 2004 May 21."	Approved; Investigational	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism	C[N+](C)(C)C[C@H](O)CC([O-])=O		"Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)"	disease; metabolic		233	46505864	D02176	PA450154		DAP000958	Carnitine	CHEMBL1149	2106
DB00583	Levocarnitine	BE0000373	CROT	Q9UKG9	OCTC_HUMAN		15155769; 16681386	"Cordente AG, Lopez-Vinas E, Vazquez MI, Swiegers JH, Pretorius IS, Gomez-Puertas P, Hegardt FG, Asins G, Serra D: Redesign of carnitine acetyltransferase specificity by protein engineering. J Biol Chem. 2004 Aug 6;279(32):33899-908. Epub 2004 May 21.@@Cordente AG, Lopez-Vinas E, Vazquez MI, Gomez-Puertas P, Asins G, Serra D, Hegardt FG: Mutagenesis of specific amino acids converts carnitine acetyltransferase into carnitine palmitoyltransferase. Biochemistry. 2006 May 16;45(19):6133-41."	Approved; Investigational	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Caloric Agents; OATP1B1/SLCO1B1 Inhibitors; Quaternary Ammonium Compounds; Supplements; Amines; OAT3/SLC22A8 Substrates; Trimethyl Ammonium Compounds; Amino Acids and Derivatives; Carnitine Analog; Drugs that are Mainly Renally Excreted; Dietary Supplements; Alimentary Tract and Metabolism	C[N+](C)(C)C[C@H](O)CC([O-])=O		"Carnitine Palmitoyl Transferase Deficiency II; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Glutaric Aciduria Type I; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Very-Long-Chain Acyl-CoA Dehydrogenase Deficiency (VLCAD); Carnitine Palmitoyl Transferase Deficiency I; Oxidation of Branched-Chain Fatty Acids; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids; Fatty Acid Metabolism; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Carnitine Synthesis; Trifunctional Protein Deficiency; Adrenoleukodystrophy, X-Linked; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD)"	disease; metabolic		233	46505864	D02176	PA450154		DAP000958	Carnitine	CHEMBL1149	2106
DB00584	Enalapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	17618628; 11752352; 16424790; 15236580	"Andujar-Sanchez M, Jara-Perez V, Camara-Artigas A: Thermodynamic determination of the binding constants of angiotensin-converting enzyme inhibitors by a displacement method. FEBS Lett. 2007 Jul 24;581(18):3449-54. Epub 2007 Jun 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Liu YH, Liu LY, Wu JX, Chen SX, Sun YX: Comparison of captopril and enalapril to study the role of the sulfhydryl-group in improvement of endothelial dysfunction with ACE inhibitors in high dieted methionine mice. J Cardiovasc Pharmacol. 2006 Jan;47(1):82-8.@@Natesh R, Schwager SL, Evans HR, Sturrock ED, Acharya KR: Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme. Biochemistry. 2004 Jul 13;43(27):8718-24."	Approved; Vet_approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Decreased Blood Pressure; Oligopeptides; Drugs causing inadvertant photosensitivity; Peptides; OAT3/SLC22A8 Inhibitors; Dipeptides"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O		Enalapril Metabolism Pathway; Enalapril Action Pathway	drug_metabolism; drug_action		1810	46507920	D07892	PA449456		DAP001374	Enalapril	CHEMBL578	3827
DB00585	Nizatidine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	11752352; 1843561; 2858133; 2877081; 2567267; 2895808	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Enriz RD, Jauregui EA: [Theoretical conformation study of tiotidine and nizatidine, two strong histamine H2-receptor antagonists]. Acta Cient Venez. 1991;42(2):70-6.@@Meredith CG, Speeg KV Jr, Schenker S: Nizatidine, a new histamine H2-receptor antagonist, and hepatic oxidative drug metabolism in the rat: a comparison with structurally related compounds. Toxicol Appl Pharmacol. 1985 Feb;77(2):315-24.@@Lin TM, Evans DC, Warrick MW, Pioch RP: Actions of nizatidine, a selective histamine H2-receptor antagonist, on gastric acid secretion in dogs, rats and frogs. J Pharmacol Exp Ther. 1986 Nov;239(2):406-10.@@Okabe S, Takeuchi K, Okada M, Kumadaki Y, Nakata M, Nakata H: [Effects of nizatidine, a new histamine H2-receptor antagonist, on gastric acid secretion and various gastric and duodenal lesions in rats: comparison with cimetidine]. Nihon Yakurigaku Zasshi. 1989 Mar;93(3):133-44.@@Kounenis G, Koutsoviti-Papadopoulou M, Elezoglou V: The excitatory effect of the new histamine H2-receptor antagonist nizatidine (LY 139037) on the guinea pig ileum. J Pharmacobiodyn. 1987 Nov;10(11):669-72."	Approved	"2,4-disubstituted thiazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Agents Causing Muscle Toxicity; Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Thiazoles; Gastric Acid Lowering Agents; Histamine Antagonists; Cholinesterase Inhibitors; Neurotransmitter Agents; Drugs for Acid Related Disorders; Sulfur Compounds; Histamine Agents; P-glycoprotein substrates; Gastrointestinal Agents; Alimentary Tract and Metabolism	CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O		Nizatidine Action Pathway	drug_action		1305	46507554	D00440	PA164752234		DAP000339	Nizatidine	CHEMBL3183075	42319
DB00588	Fluticasone propionate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	10200007; 10518812; 11730731; 7878687; 8646863; 11752352	"Andersson O, Cassel TN, Gronneberg R, Bronnegard M, Stierna P, Nord M: In vivo modulation of glucocorticoid receptor mRNA by inhaled fluticasone propionate in bronchial mucosa and blood lymphocytes in subjects with mild asthma. J Allergy Clin Immunol. 1999 Apr;103(4):595-600.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Zhang X, Moilanen E, Kankaanranta H: Beclomethasone, budesonide and fluticasone propionate inhibit human neutrophil apoptosis. Eur J Pharmacol. 2001 Nov 23;431(3):365-71.@@Hogger P, Rohdewald P: Binding kinetics of fluticasone propionate to the human glucocorticoid receptor. Steroids. 1994 Oct;59(10):597-602.@@Johnson M: Fluticasone propionate: safety profile. Cutis. 1996 Feb;57(2 Suppl):10-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					637	46506140	D01708	PA449686		DAP001039	Fluticasone_propionate	CHEMBL1473	50121
DB00588	Fluticasone propionate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	16507850; 12503693	"Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					637	46506140	D01708	PA449686		DAP001039	Fluticasone_propionate	CHEMBL1473	50121
DB00588	Fluticasone propionate	BE0000657	PLA2G4A	P47712	PA24A_HUMAN	inhibitor	10351938; 15083746	"Sano A, Munoz NM, Sano H, Choi J, Zhu X, Jacobs B, Leff AR: Inhibition of cPLA2 translocation and leukotriene C4 secretion by fluticasone propionate in exogenously activated human eosinophils. Am J Respir Crit Care Med. 1999 Jun;159(6):1903-9.@@Myo S, Zhu X, Myou S, Meliton AY, Liu J, Boetticher E, Lambertino AT, Xu C, Munoz NM, Leff AR: Additive blockade of beta 2-integrin adhesion of eosinophils by salmeterol and fluticasone propionate. Eur Respir J. 2004 Apr;23(4):511-7."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					637	46506140	D01708	PA449686		DAP001039	Fluticasone_propionate	CHEMBL1473	50121
DB00588	Fluticasone propionate	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	12503693; 16507850	"Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					637	46506140	D01708	PA449686		DAP001039	Fluticasone_propionate	CHEMBL1473	50121
DB00589	Lisuride	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	11752352; 18691132	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC						46505557	D08132	PA164749019		DAP000255	Lisuride	CHEMBL157138	6446
DB00589	Lisuride	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC						46505557	D08132	PA164749019		DAP000255	Lisuride	CHEMBL157138	6446
DB00589	Lisuride	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	18691132; 9600588	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Egan CT, Herrick-Davis K, Miller K, Glennon RA, Teitler M: Agonist activity of LSD and lisuride at cloned 5HT2A and 5HT2C receptors. Psychopharmacology (Berl). 1998 Apr;136(4):409-14."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC						46505557	D08132	PA164749019		DAP000255	Lisuride	CHEMBL157138	6446
DB00589	Lisuride	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	18691132	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC						46505557	D08132	PA164749019		DAP000255	Lisuride	CHEMBL157138	6446
DB00589	Lisuride	BE0000650	HTR7	P34969	5HT7R_HUMAN		18996971; 19509219	"Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov  7.@@Toohey N, Klein MT, Knight J, Smith C, Teitler M: Human 5-HT7 receptor-induced inactivation of forskolin-stimulated adenylate cyclase by risperidone, 9-OH-risperidone and other ""inactivating antagonists"". Mol Pharmacol. 2009 Sep;76(3):552-9. doi: 10.1124/mol.109.056283. Epub 2009 Jun 9."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Ergolines; Ergot Alkaloids and Derivatives; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Analgesics; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC						46505557	D08132	PA164749019		DAP000255	Lisuride	CHEMBL157138	6446
DB00590	Doxazosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15573147; 8736427; 14767264; 9205965; 16225542; 19002123; 17070143; 10393471; 18304211; 9223558	"Yono M, Foster HE Jr, Shin D, Takahashi W, Pouresmail M, Latifpour J: Doxazosin-induced up-regulation of alpha 1A-adrenoceptor mRNA in the rat lower urinary tract. Can J Physiol Pharmacol. 2004 Oct;82(10):872-8.@@Michel MC, Grubbel B, Taguchi K, Verfurth F, Otto T, Kropfl D: Drugs for treatment of benign prostatic hyperplasia: affinity comparison at cloned alpha 1-adrenoceptor subtypes and in human prostate. J Auton Pharmacol. 1996 Feb;16(1):21-8.@@Roehrborn CG, Schwinn DA: Alpha1-adrenergic receptors and their inhibitors in lower urinary tract symptoms and benign prostatic hyperplasia. J Urol. 2004 Mar;171(3):1029-35.@@Ishizuka O, Pandita RK, Mattiasson A, Steers WD, Andersson KE: Stimulation of bladder activity by volume, L-dopa and capsaicin in normal conscious rats--effects of spinal alpha 1-adrenoceptor blockade. Naunyn Schmiedebergs Arch Pharmacol. 1997 Jun;355(6):787-93.@@Bae JH, Jung PB, Lee JG: The effects of alpha-adrenoceptor antagonists on the urethral perfusion pressure of the female rat. BJU Int. 2005 Nov;96(7):1131-5.@@Greco KA, McVary KT: The role of combination medical therapy in benign prostatic hyperplasia. Int J Impot Res. 2008 Dec;20 Suppl 3:S33-43. doi: 10.1038/ijir.2008.51.@@Shannon R, Chaudhry M: Effect of alpha1-adrenergic receptors in cardiac pathophysiology. Am Heart J. 2006 Nov;152(5):842-50.@@Martin DJ: Preclinical pharmacology of alpha1-adrenoceptor antagonists. Eur Urol. 1999;36 Suppl 1:35-41; discussion 65.@@Schwinn DA, Roehrborn CG: Alpha1-adrenoceptor subtypes and lower urinary tract symptoms. Int J Urol. 2008 Mar;15(3):193-9. doi: 10.1111/j.1442-2042.2007.01956.x.@@Martin DJ, Lluel P, Guillot E, Coste A, Jammes D, Angel I: Comparative alpha-1 adrenoceptor subtype selectivity and functional uroselectivity of alpha-1 adrenoceptor antagonists. J Pharmacol Exp Ther. 1997 Jul;282(1):228-35."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Quinazolines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiadrenergic Agents, Peripherally Acting; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1					11258	46506825	D07874	PA449407		DAP000381	Doxazosin	CHEMBL707	49276
DB00590	Doxazosin	BE0009629	KCNH2	Q9NS40	KCNH7_HUMAN	inhibitor	15098086; 18054910; 21850047	"Thomas D, Wimmer AB, Wu K, Hammerling BC, Ficker EK, Kuryshev YA, Kiehn J, Katus HA, Schoels W, Karle CA: Inhibition of human ether-a-go-go-related gene potassium channels by alpha 1-adrenoceptor antagonists prazosin, doxazosin, and terazosin. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):462-72. Epub 2004 Apr 20.@@Thomas D, Bloehs R, Koschny R, Ficker E, Sykora J, Kiehn J, Schlomer K, Gierten J, Kathofer S, Zitron E, Scholz EP, Kiesecker C, Katus HA, Karle CA: Doxazosin induces apoptosis of cells expressing hERG K+ channels. Eur J Pharmacol. 2008 Jan 28;579(1-3):98-103. doi: 10.1016/j.ejphar.2007.10.051. Epub 2007 Dec 4.@@Jehle J, Schweizer PA, Katus HA, Thomas D: Novel roles for hERG K(+) channels in cell proliferation and apoptosis. Cell Death Dis. 2011 Aug 18;2:e193. doi: 10.1038/cddis.2011.77."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Quinazolines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiadrenergic Agents, Peripherally Acting; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1					11258	46506825	D07874	PA449407		DAP000381	Doxazosin	CHEMBL707	49276
DB00590	Doxazosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN		18304211; 9223558	"Schwinn DA, Roehrborn CG: Alpha1-adrenoceptor subtypes and lower urinary tract symptoms. Int J Urol. 2008 Mar;15(3):193-9. doi: 10.1111/j.1442-2042.2007.01956.x.@@Martin DJ, Lluel P, Guillot E, Coste A, Jammes D, Angel I: Comparative alpha-1 adrenoceptor subtype selectivity and functional uroselectivity of alpha-1 adrenoceptor antagonists. J Pharmacol Exp Ther. 1997 Jul;282(1):228-35."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Quinazolines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiadrenergic Agents, Peripherally Acting; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1					11258	46506825	D07874	PA449407		DAP000381	Doxazosin	CHEMBL707	49276
DB00591	Fluocinolone acetonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19744340	"Nehme A, Lobenhofer EK, Stamer WD, Edelman JL: Glucocorticoids with different chemical structures but similar glucocorticoid receptor potency regulate subsets of common and unique genes in human trabecular meshwork cells. BMC Med Genomics. 2009 Sep 10;2:58. doi: 10.1186/1755-8794-2-58."	Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					7578	46506244	D01825	PA164754912		DAP000813	Fluocinolone_acetonide	CHEMBL989	4461
DB00591	Fluocinolone acetonide	BE0000422	ANXA1	P04083	ANXA1_HUMAN	inducer			Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					7578	46506244	D01825	PA164754912		DAP000813	Fluocinolone_acetonide	CHEMBL989	4461
DB00591	Fluocinolone acetonide	BE0001170	ANXA2	P07355	ANXA2_HUMAN	inducer			Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					7578	46506244	D01825	PA164754912		DAP000813	Fluocinolone_acetonide	CHEMBL989	4461
DB00591	Fluocinolone acetonide	BE0003201	ANXA3	P12429	ANXA3_HUMAN	inducer			Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					7578	46506244	D01825	PA164754912		DAP000813	Fluocinolone_acetonide	CHEMBL989	4461
DB00591	Fluocinolone acetonide	BE0008969	ANXA4	P09525	ANXA4_HUMAN	inducer			Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO					7578	46506244	D01825	PA164754912		DAP000813	Fluocinolone_acetonide	CHEMBL989	4461
DB00592	Piperazine	BE0002345	GABRB3	P28472	GBRB3_HUMAN	agonist	17139284; 17016423; 11156579; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maskell PD, Wafford KA, Bermudez I: Effects of gamma-HCH and delta-HCH on human recombinant GABA(A) receptors: dependence on GABA(A) receptor subunit combination. Br J Pharmacol. 2001 Jan;132(1):205-12.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Vet_approved	Piperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Anti-Infective Agents; Cytochrome P-450 CYP2D6 Substrates; Piperazines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Hyperglycemia-Associated Agents; Piperazine and Derivatives; Anthelmintics; Antinematodal Agents; Antiparasitic Agents"	C1CNCCN1					7153	46507642	D00807	PA450977		DAP001418	Piperazine	CHEMBL1412	8340
DB00593	Ethosuximide	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	11752352; 11641441; 19005061; 11274992	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gomora JC, Daud AN, Weiergraber M, Perez-Reyes E: Block of cloned human T-type calcium channels by succinimide antiepileptic drugs. Mol Pharmacol. 2001 Nov;60(5):1121-32.@@Wang G, Thompson SM: Maladaptive homeostatic plasticity in a rodent model of central pain syndrome: thalamic hyperexcitability after spinothalamic tract lesions. J Neurosci. 2008 Nov 12;28(46):11959-69. doi: 10.1523/JNEUROSCI.3296-08.2008.@@Matthews EA, Dickenson AH: Effects of ethosuximide, a T-type Ca(2+) channel blocker, on dorsal horn neuronal responses in rats. Eur J Pharmacol. 2001 Mar;415(2-3):141-9."	Approved	Pyrrolidine-2-ones	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones	QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Succinimides; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Succinimide Derivatives; Pyrrolidines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Pyrrolidinones; Imides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C)CC(=O)NC1=O					6363	46507617	D00539	PA449533		DAP000526	Ethosuximide	CHEMBL696	4135
DB00594	Amiloride	BE0000190	SCNN1A	P37088	SCNNA_HUMAN	inhibitor	12928313; 15084585; 17556672; 11752352	"Kelly O, Lin C, Ramkumar M, Saxena NC, Kleyman TR, Eaton DC: Characterization of an amiloride binding region in the alpha-subunit of ENaC. Am J Physiol Renal Physiol. 2003 Dec;285(6):F1279-90. Epub 2003 Aug 19.@@Ji HL, Benos DJ: Degenerin sites mediate proton activation of deltabetagamma-epithelial sodium channel. J Biol Chem. 2004 Jun 25;279(26):26939-47. Epub 2004 Apr 14.@@Otulakowski G, Duan W, Gandhi S, O'brodovich H: Steroid and oxygen effects on eIF4F complex, mTOR, and ENaC translation in fetal lung epithelia. Am J Respir Cell Mol Biol. 2007 Oct;37(4):457-66. Epub 2007 Jun 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Aminopyrazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines	Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion	NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N		Amiloride Action Pathway	drug_action		20230	46508156	D07447	PA448368		DAP000187	Amiloride	CHEMBL945	644
DB00594	Amiloride	BE0000024	SCNN1B	P51168	SCNNB_HUMAN	inhibitor	12746257; 15681398; 12396248; 11882592; 15198480	"Lebowitz J, An B, Edinger RS, Zeidel ML, Johnson JP: Effect of altered Na+ entry on expression of apical and basolateral transport proteins in A6 epithelia. Am J Physiol Renal Physiol. 2003 Sep;285(3):F524-31. Epub 2003 May 13.@@Planes C, Leyvraz C, Uchida T, Angelova MA, Vuagniaux G, Hummler E, Matthay M, Clerici C, Rossier B: In vitro and in vivo regulation of transepithelial lung alveolar sodium transport by serine proteases. Am J Physiol Lung Cell Mol Physiol. 2005 Jun;288(6):L1099-109. Epub 2005 Jan 28.@@Yamagata T, Yamagata Y, Nishimoto T, Nakanishi M, Nakanishi H, Minakata Y, Mune M, Yukawa S: The impact of phorbol ester on the regulation of amiloride-sensitive epithelial sodium channel in alveolar type ii epithelial cells. Exp Lung Res. 2002 Oct-Nov;28(7):543-62.@@Brooks HL, Allred AJ, Beutler KT, Coffman TM, Knepper MA: Targeted proteomic profiling of renal Na(+) transporter and channel abundances in angiotensin II type 1a receptor knockout mice. Hypertension. 2002 Feb;39(2 Pt 2):470-3.@@Kamide K, Tanaka C, Takiuchi S, Miwa Y, Yoshii M, Horio T, Kawano Y, Miyata T: Six missense mutations of the epithelial sodium channel beta and gamma subunits in Japanese hypertensives. Hypertens Res. 2004 May;27(5):333-8."	Approved	Aminopyrazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines	Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion	NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N		Amiloride Action Pathway	drug_action		20230	46508156	D07447	PA448368		DAP000187	Amiloride	CHEMBL945	644
DB00594	Amiloride	BE0000497	SCNN1G	P51170	SCNNG_HUMAN	inhibitor	11344206; 11463765; 12396248; 12503866; 15547682	"Viemann M, Peter M, Lopez-Siguero JP, Simic-Schleicher G, Sippell WG: Evidence for genetic heterogeneity of pseudohypoaldosteronism type 1: identification of a novel mutation in the human mineralocorticoid receptor in one sporadic case and no mutations in two autosomal dominant kindreds. J Clin Endocrinol Metab. 2001 May;86(5):2056-9.@@Iwai N, Baba S, Mannami T, Katsuya T, Higaki J, Ogihara T, Ogata J: Association of sodium channel gamma-subunit promoter variant with blood pressure. Hypertension. 2001 Jul;38(1):86-9.@@Yamagata T, Yamagata Y, Nishimoto T, Nakanishi M, Nakanishi H, Minakata Y, Mune M, Yukawa S: The impact of phorbol ester on the regulation of amiloride-sensitive epithelial sodium channel in alveolar type ii epithelial cells. Exp Lung Res. 2002 Oct-Nov;28(7):543-62.@@Akcay A, Yavuz T, Semiz S, Bundak R, Demirdoven M: Pseudohypoaldosteronism type 1 and respiratory distress syndrome. J Pediatr Endocrinol Metab. 2002 Nov-Dec;15(9):1557-61.@@Ludwig M, Bidlingmaier F, Reissinger A: Pseudohypoaldosteronism type 1 and the genes encoding prostasin, alpha-spectrin, and Nedd4. Int J Mol Med. 2004 Dec;14(6):1101-4."	Approved	Aminopyrazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines	Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion	NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N		Amiloride Action Pathway	drug_action		20230	46508156	D07447	PA448368		DAP000187	Amiloride	CHEMBL945	644
DB00594	Amiloride	BE0000678	ASIC2	Q16515	ASIC2_HUMAN	inhibitor	12584187; 12736332; 14686475; 15537887; 16704974	"Berdiev BK, Xia J, McLean LA, Markert JM, Gillespie GY, Mapstone TB, Naren AP, Jovov B, Bubien JK, Ji HL, Fuller CM, Kirk KL, Benos DJ: Acid-sensing ion channels in malignant gliomas. J Biol Chem. 2003 Apr 25;278(17):15023-34. Epub 2003 Feb 12.@@Ugawa S, Yamamoto T, Ueda T, Ishida Y, Inagaki A, Nishigaki M, Shimada S: Amiloride-insensitive currents of the acid-sensing ion channel-2a (ASIC2a)/ASIC2b heteromeric sour-taste receptor channel. J Neurosci. 2003 May 1;23(9):3616-22.@@Ugawa S: Identification of sour-taste receptor genes. Anat Sci Int. 2003 Dec;78(4):205-10.@@Peng BG, Ahmad S, Chen S, Chen P, Price MP, Lin X: Acid-sensing ion channel 2 contributes a major component to acid-evoked excitatory responses in spiral ganglion neurons and plays a role in noise susceptibility of mice. J Neurosci. 2004 Nov 10;24(45):10167-75.@@Vila-Carriles WH, Kovacs GG, Jovov B, Zhou ZH, Pahwa AK, Colby G, Esimai O, Gillespie GY, Mapstone TB, Markert JM, Fuller CM, Bubien JK, Benos DJ: Surface expression of ASIC2 inhibits the amiloride-sensitive current and migration of glioma cells. J Biol Chem. 2006 Jul 14;281(28):19220-32. Epub 2006 May 16."	Approved	Aminopyrazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines	Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Sodium Channel Blockers; OCT2 Inhibitors; Potassium-Sparing Diuretics; Agents causing hyperkalemia; Diuretics; Increased Diuresis; Epithelial Sodium Channel Blockers; Membrane Transport Modulators; Acid Sensing Ion Channel Blockers; Pyrazines; Decreased Renal K+ Excretion	NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N		Amiloride Action Pathway	drug_action		20230	46508156	D07447	PA448368		DAP000187	Amiloride	CHEMBL945	644
DB00596	Ulobetasol	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19293512; 9891987	"Mohandas S, Rai R, Srinivas CR: Halobetasol versus clobetasol: a study of potency. Indian J Dermatol Venereol Leprol. 2009 Mar-Apr;75(2):186-7.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Antipsoriatics for Topical Use; Anti-Inflammatory Agents; Corticosteroids, Dermatological Preparations; Dermatologicals; Antipsoriatics; Cardiovascular Agents; Vasoconstrictor Agents; Steroids; Pregnadienetriols; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Immunosuppressive Agents; Corticosteroids; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes"	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					7555	46506187		PA164768832		DAP001186	Ulobetasol	CHEMBL1201360	41208
DB00599	Thiopental	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0002194	FAAH	O00519	FAAH1_HUMAN	inhibitor	12839875; 11752352	"Patel S, Wohlfeil ER, Rademacher DJ, Carrier EJ, Perry LJ, Kundu A, Falck JR, Nithipatikom K, Campbell WB, Hillard CJ: The general anesthetic propofol increases brain N-arachidonylethanolamine (anandamide) content and inhibits fatty acid amide hydrolase. Br J Pharmacol. 2003 Jul;139(5):1005-13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00599	Thiopental	BE0000045	CHRM3	P20309	ACM3_HUMAN		12456425	"Hirota K, Hashimoto Y, Lambert DG: Interaction of intravenous anesthetics with recombinant human M1-M3 muscarinic receptors expressed in chinese hamster ovary cells. Anesth Analg. 2002 Dec;95(6):1607-10, table of contents."	Approved; Vet_approved	Thiobarbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Thiobarbiturates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Anesthetics, Intravenous; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Narrow Therapeutic Index Drugs; Anticonvulsants"	CCCC(C)C1(CC)C(=O)NC(=S)NC1=O					8249	46504621		PA451664		DAP000661	Sodium_thiopental	CHEMBL441	10493
DB00600	Monobenzone	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor	19159217	"Chen YR, Y-Y R, Lin TY, Huang CP, Tang WC, Chen ST, Lin SB: Identification of an Alkylhydroquinone from Rhus succedanea as an Inhibitor of Tyrosinase and Melanogenesis. J Agric Food Chem. 2009 Mar 25;57(6):2200-5. doi: 10.1021/jf802617a."	Approved	4-alkoxyphenols	Organic compounds; Benzenoids; Phenols; 4-alkoxyphenols	"alpha-Galactosidase, antagonists & inhibitors; Phenols; Melanin Synthesis Inhibitors; Dermatologicals; Benzene Derivatives; Depigmenting Agents"	OC1=CC=C(OCC2=CC=CC=C2)C=C1					5304	46507466	D05072	PA164764582		DAP000830	Monobenzone	CHEMBL1388	17145
DB00603	Medroxyprogesterone acetate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	16985038; 17013809; 17015480; 17109827; 17138644; 11752352	"Risch HA, Bale AE, Beck PA, Zheng W: PGR +331 A/G and increased risk of epithelial ovarian cancer. Cancer Epidemiol Biomarkers Prev. 2006 Sep;15(9):1738-41.@@Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Wu HB, Fabian S, Jenab S, Quinones-Jenab V: Progesterone receptors activation after acute cocaine administration. Brain Res. 2006 Dec 18;1126(1):188-92. Epub 2006 Nov 15.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C					7538	46508895	D00951	PA450344		DAP001211	Medroxyprogesterone	CHEMBL717	1000112
DB00603	Medroxyprogesterone acetate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17094978; 17103262; 17118173; 17203775; 17415709	"Jain JK, Li A, Yang W, Minoo P, Felix JC: Mifepristone alters expression of endometrial steroid receptors and their cofactors in new users of medroxyprogesterone acetate. Fertil Steril. 2007 Jan;87(1):8-23. Epub 2006 Nov 7.@@Kumar AS, Cureton E, Shim V, Sakata T, Moore DH, Benz CC, Esserman LJ, Hwang ES: Type and duration of exogenous hormone use affects breast cancer histology. Ann Surg Oncol. 2007 Feb;14(2):695-703. Epub 2006 Nov 14.@@Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Yuri T, Tsukamoto R, Uehara N, Matsuoka Y, Tsubura A: Effects of different durations of estrogen and progesterone treatment on development of N-methyl-N-nitrosourea-induced mammary carcinomas in female Lewis rats. In Vivo. 2006 Nov-Dec;20(6B):829-36.@@Ghebeh H, Tulbah A, Mohammed S, Elkum N, Bin Amer SM, Al-Tweigeri T, Dermime S: Expression of B7-H1 in breast cancer patients is strongly associated with high proliferative Ki-67-expressing tumor cells. Int J Cancer. 2007 Aug 15;121(4):751-8."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C					7538	46508895	D00951	PA450344		DAP001211	Medroxyprogesterone	CHEMBL717	1000112
DB00603	Medroxyprogesterone acetate	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	11600316	"Altinoz MA, Bilir A, Ozar E, Onar FD, Sav A: Medroxyprogesterone acetate alone or synergistic with chemotherapy suppresses colony formation and DNA synthesis in C6 glioma in vitro. Int J Dev Neurosci. 2001 Oct;19(6):541-7. doi: 10.1016/s0736-5748(01)00045-4."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C					7538	46508895	D00951	PA450344		DAP001211	Medroxyprogesterone	CHEMBL717	1000112
DB00603	Medroxyprogesterone acetate	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	inhibitor	21562760	"Braden BB, Garcia AN, Mennenga SE, Prokai L, Villa SR, Acosta JI, Lefort N, Simard AR, Bimonte-Nelson HA: Cognitive-impairing effects of medroxyprogesterone acetate in the rat: independent and interactive effects across time. Psychopharmacology (Berl). 2011 Nov;218(2):405-18. doi: 10.1007/s00213-011-2322-4. Epub 2011 May 12."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2C8 Inhibitors; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pregnen (4) Derivatives; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Corpus Luteum Hormones; Endocrine Therapy; Gonadal Steroid Hormones; Pregnenediones; Hormones and Related Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C					7538	46508895	D00951	PA450344		DAP001211	Medroxyprogesterone	CHEMBL717	1000112
DB00604	Cisapride	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	10027842; 10328995; 10556228; 11034583; 11218067; 11752352	"Crema F, Modini C, Croci T, Langlois M, de Ponti F: Intestinal prokinesia by two esters of 4-amino-5-chloro-2- methoxybenzoic acid: involvement of 5-hydroxytryptamine-4 receptors and dissociation from cardiac effects in vivo. J Pharmacol Exp Ther. 1999 Mar;288(3):1045-52.@@Nagakura Y, Akuzawa S, Miyata K, Kamato T, Suzuki T, Ito H, Yamaguchi T: Pharmacological properties of a novel gastrointestinal prokinetic benzamide selective for human 5-HT4 receptor versus human 5-HT3 receptor. Pharmacol Res. 1999 May;39(5):375-82.@@Rahme MM, Cotter B, Leistad E, Wadhwa MK, Mohabir R, Ford AP, Eglen RM, Feld GK: Electrophysiological and antiarrhythmic effects of the atrial selective 5-HT(4) receptor antagonist RS-100302 in experimental atrial flutter and fibrillation. Circulation. 1999 Nov 9;100(19):2010-7.@@Bharucha AE, Camilleri M, Haydock S, Ferber I, Burton D, Cooper S, Tompson D, Fitzpatrick K, Higgins R, Zinsmeister AR: Effects of a serotonin 5-HT(4) receptor antagonist SB-207266 on gastrointestinal motor and sensory function in humans. Gut. 2000 Nov;47(5):667-74.@@Bach T, Syversveen T, Kvingedal AM, Krobert KA, Brattelid T, Kaumann AJ, Levy FO: 5HT4(a) and 5-HT4(b) receptors have nearly identical pharmacology and are both expressed in human atrium and ventricle. Naunyn Schmiedebergs Arch Pharmacol. 2001 Feb;363(2):146-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Ulcer Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Aminobenzoates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2A6 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Propulsives; para-Aminobenzoates; Chlorobenzoates; Piperidines; Serotonin Agents; Drugs for Functional Gastrointestinal Disorders; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC					11322	46504980	D00274	PA449011		DAP000222	Cisapride	CHEMBL560739	35255
DB00605	Sulindac	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	2632448; 3920599; 6409111; 6413448; 8529171; 11752352	"Sharma YR, Vajpayee RB, Bhatnagar R, Mohan M, Azad RV, Kumar M, Nath R: Topical sulindac therapy in diabetic senile cataracts: cataract-IV. Indian J Ophthalmol. 1989 Jul-Sep;37(3):127-33.@@Crabbe MJ, Freeman G, Halder AB, Bron AJ: The inhibition of bovine lens aldose reductase by Clinoril, its absorption into the human red cell and its effect on human red cell aldose reductase activity. Ophthalmic Res. 1985;17(2):85-9.@@Chaudhry PS, Cabrera J, Juliani HR, Varma SD: Inhibition of human lens aldose reductase by flavonoids, sulindac and indomethacin. Biochem Pharmacol. 1983 Jul 1;32(13):1995-8.@@Jacobson M, Sharma YR, Cotlier E, Hollander JD: Diabetic complications in lens and nerve and their prevention by sulindac or sorbinil: two novel aldose reductase inhibitors. Invest Ophthalmol Vis Sci. 1983 Oct;24(10):1426-9.@@van der Sloot P, Mizisin A, Zochodne D: Sulindac in established experimental diabetes: a follow-up study. Can J Neurol Sci. 1995 Aug;22(3):198-201.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes	"Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Acetic Acid Derivatives and Related Substances; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Photosensitizing Agents; Indenes; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O		Sulindac Action Pathway	drug_action		2126	46506570	D00120	PA451565		DAP000569	Sulindac	CHEMBL15770	10237
DB00605	Sulindac	BE0001007	PPARD	Q03181	PPARD_HUMAN	negative modulator	10555149; 14506281; 16091736; 16418176; 17409426	"He TC, Chan TA, Vogelstein B, Kinzler KW: PPARdelta is an APC-regulated target of nonsteroidal anti-inflammatory drugs. Cell. 1999 Oct 29;99(3):335-45.@@Babbar N, Ignatenko NA, Casero RA Jr, Gerner EW: Cyclooxygenase-independent induction of apoptosis by sulindac sulfone is mediated by polyamines in colon cancer. J Biol Chem. 2003 Nov 28;278(48):47762-75. Epub 2003 Sep 23.@@Jarvis MC, Gray TJ, Palmer CN: Both PPARgamma and PPARdelta influence sulindac sulfide-mediated p21WAF1/CIP1 upregulation in a human prostate epithelial cell line. Oncogene. 2005 Dec 8;24(55):8211-5.@@Kim DJ, Prabhu KS, Gonzalez FJ, Peters JM: Inhibition of chemically induced skin carcinogenesis by sulindac is independent of peroxisome proliferator-activated receptor-beta/delta (PPARbeta/delta). Carcinogenesis. 2006 May;27(5):1105-12. Epub 2006 Jan 16.@@Liou JY, Ghelani D, Yeh S, Wu KK: Nonsteroidal anti-inflammatory drugs induce colorectal cancer cell apoptosis by suppressing 14-3-3epsilon. Cancer Res. 2007 Apr 1;67(7):3185-91."	Approved; Investigational	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes	"Non COX-2 selective NSAIDS; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Acetic Acid Derivatives and Related Substances; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Photosensitizing Agents; Indenes; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O		Sulindac Action Pathway	drug_action		2126	46506570	D00120	PA451565		DAP000569	Sulindac	CHEMBL15770	10237
DB00606	Cyclothiazide	BE0000229	FXYD2	P54710	ATNG_HUMAN	inhibitor			Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Receptors, AMPA; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; OAT1/SLC22A6 inhibitors; Sulfonamides; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2		Cyclothiazide Action Pathway	drug_action			46508269	D01256	PA449168		DAP000604	Cyclothiazide	CHEMBL61593	22033
DB00606	Cyclothiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	9929558; 8882618; 8793745; 9685234; 8003661	"Rammes G, Zeilhofer HU, Collingridge GL, Parsons CG, Swandulla D: Expression of early hippocampal CA1 LTP does not lead to changes in AMPA-EPSC kinetics or sensitivity to cyclothiazide. Pflugers Arch. 1999 Jan;437(2):191-6.@@Rammes G, Swandulla D, Collingridge GL, Hartmann S, Parsons CG: Interactions of 2,3-benzodiazepines and cyclothiazide at AMPA receptors: patch clamp recordings in cultured neurones and area CA1 in hippocampal slices. Br J Pharmacol. 1996 Mar;117(6):1209-21.@@Fleck MW, Bahring R, Patneau DK, Mayer ML: AMPA receptor heterogeneity in rat hippocampal neurons revealed by differential sensitivity to cyclothiazide. J Neurophysiol. 1996 Jun;75(6):2322-33.@@Pirotte B, Podona T, Diouf O, de Tullio P, Lebrun P, Dupont L, Somers F, Delarge J, Morain P, Lestage P, Lepagnol J, Spedding M: 4H-1,2,4-Pyridothiadiazine 1,1-dioxides and 2,3-dihydro-4H-1,2, 4-pyridothiadiazine 1,1-dioxides chemically related to diazoxide and cyclothiazide as powerful positive allosteric modulators of (R/S)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid receptors: design, synthesis, pharmacology, and structure-activity relationships. J Med Chem. 1998 Jul 30;41(16):2946-59.@@Larson J, Le TT, Hall RA, Lynch G: Effects of cyclothiazide on synaptic responses in slices of adult and neonatal rat hippocampus. Neuroreport. 1994 Jan 12;5(4):389-92."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Receptors, AMPA; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; OAT1/SLC22A6 inhibitors; Sulfonamides; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2		Cyclothiazide Action Pathway	drug_action			46508269	D01256	PA449168		DAP000604	Cyclothiazide	CHEMBL61593	22033
DB00606	Cyclothiazide	BE0009094	SFRP4	Q6FHJ7	SFRP4_HUMAN	inhibitor	25019556	"Bukhari SA, Shamshari WA, Ur-Rahman M, Zia-Ul-Haq M, Jaafar HZ: Computer aided screening of secreted frizzled-related protein 4 (SFRP4): a potential control for diabetes mellitus. Molecules. 2014 Jul 11;19(7):10129-36. doi: 10.3390/molecules190710129."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Receptors, AMPA; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Genito Urinary System and Sex Hormones; OAT1/SLC22A6 inhibitors; Sulfonamides; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2		Cyclothiazide Action Pathway	drug_action			46508269	D01256	PA449168		DAP000604	Cyclothiazide	CHEMBL61593	22033
DB00608	Chloroquine	BE0003428	HMGB1	P09429	HMGB1_HUMAN	inhibitor	23707973	"Yang M, Cao L, Xie M, Yu Y, Kang R, Yang L, Zhao M, Tang D: Chloroquine inhibits HMGB1 inflammatory signaling and protects mice from lethal sepsis. Biochem Pharmacol. 2013 Aug 1;86(3):410-8. doi: 10.1016/j.bcp.2013.05.013. Epub 2013 May 22."	Approved; Investigational; Vet_approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; alpha-Galactosidase, antagonists & inhibitors; Sensory System Agents; Agents that produce neuromuscular block (indirect); QTc Prolonging Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Antinematodal Agents; Cytochrome P-450 CYP2C8 Substrates; Amebicides; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Aminoquinolines; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Biguanides; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Filaricides; Moderate Risk QTc-Prolonging Agents; Antirheumatic Agents; Quinolines"	CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12					6549	46506925	D02366	PA448948		DAP001357	Chloroquine	CHEMBL76	2393
DB00608	Chloroquine	BE0000807	GSTM1	P09488	GSTM1_HUMAN	inhibitor	9385457	"Mukanganyama S, Masimirembwa CM, Naik YS, Hasler JA: Phenotyping of the glutathione S-transferase M1 polymorphism in Zimbabweans and the effects of chloroquine on blood glutathione S-transferases M1 and A. Clin Chim Acta. 1997 Sep 30;265(2):145-55. doi: 10.1016/s0009-8981(97)00104-6."	Approved; Investigational; Vet_approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; alpha-Galactosidase, antagonists & inhibitors; Sensory System Agents; Agents that produce neuromuscular block (indirect); QTc Prolonging Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Antinematodal Agents; Cytochrome P-450 CYP2C8 Substrates; Amebicides; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Aminoquinolines; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Biguanides; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Filaricides; Moderate Risk QTc-Prolonging Agents; Antirheumatic Agents; Quinolines"	CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12					6549	46506925	D02366	PA448948		DAP001357	Chloroquine	CHEMBL76	2393
DB00608	Chloroquine	BE0000982	ACE2	Q9BYF1	ACE2_HUMAN	modulator	16115318	"Vincent MJ, Bergeron E, Benjannet S, Erickson BR, Rollin PE, Ksiazek TG, Seidah NG, Nichol ST: Chloroquine is a potent inhibitor of SARS coronavirus infection and spread. Virol J. 2005 Aug 22;2:69. doi: 10.1186/1743-422X-2-69."	Approved; Investigational; Vet_approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; alpha-Galactosidase, antagonists & inhibitors; Sensory System Agents; Agents that produce neuromuscular block (indirect); QTc Prolonging Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Antinematodal Agents; Cytochrome P-450 CYP2C8 Substrates; Amebicides; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Aminoquinolines; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Biguanides; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Filaricides; Moderate Risk QTc-Prolonging Agents; Antirheumatic Agents; Quinolines"	CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12					6549	46506925	D02366	PA448948		DAP001357	Chloroquine	CHEMBL76	2393
DB00610	Metaraminol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17139284; 17016423; 9663612	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tatsuta M, Iishi H, Baba M, Yano H, Sakai N, Uehara H, Hirasawa R, Nakaizumi A: Alpha1-adrenoceptor stimulation enhances experimental gastric carcinogenesis induced by N-methyl-N'-nitro-N-nitrosoguanidine in Wistar rats. Int J Cancer. 1998 Jul 29;77(3):467-9."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Propanolamines; Cardiac Therapy; Neurotransmitter Agents; Adrenergic Agents	C[C@H](N)[C@H](O)C1=CC(O)=CC=C1						46505593		PA164748761		DAP000225	Metaraminol	CHEMBL1201319	6805
DB00611	Butorphanol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	10381785; 10779697; 12127012; 12470863; 15942128; 8968334; 8746803; 7705457; 2555580; 17909753	"Vivian JA, DeYoung MB, Sumpter TL, Traynor JR, Lewis JW, Woods JH: kappa-Opioid receptor effects of butorphanol in rhesus monkeys. J Pharmacol Exp Ther. 1999 Jul;290(1):259-65.@@Park Y, Jang CG, Ho IK, Ko KH: kappa-opioid agonist stimulated regional distribution of [(35)S]GTPgammas binding in butorphanol continuously infused rat. Brain Res Bull. 2000 May 1;52(1):17-20.@@Fan LW, Tanaka S, Tien LT, Ma T, Rockhold RW, Ho IK: Withdrawal from dependence upon butorphanol uniquely increases kappa(1)-opioid receptor binding in the rat brain. Brain Res Bull. 2002 Jun;58(2):149-60.@@Fan LW, Tanaka S, Park Y, Sasaki K, Ma T, Tien LT, Rockhold RW, Ho IK: Butorphanol dependence and withdrawal decrease hippocampal kappa 2-opioid receptor binding. Brain Res. 2002 Dec 27;958(2):277-90.@@Commiskey S, Fan LW, Ho IK, Rockhold RW: Butorphanol: effects of a prototypical agonist-antagonist analgesic on kappa-opioid receptors. J Pharmacol Sci. 2005 Jun;98(2):109-16. Epub 2005 Jun 8.@@Picker MJ, Benyas S, Horwitz JA, Thompson K, Mathewson C, Smith MA: Discriminative stimulus effects of butorphanol: influence of training dose on the substitution patterns produced by Mu, Kappa and Delta opioid agonists. J Pharmacol Exp Ther. 1996 Dec;279(3):1130-41.@@Wakabayashi H, Tokuyama S, Ho IK: Simultaneous measurement of biogenic amines and their metabolites in rat brain regions after acute administration of and abrupt withdrawal from butorphanol or morphine. Neurochem Res. 1995 Oct;20(10):1179-85.@@Narita M, Feng Y, Makimura M, Hoskins B, Ho IK: Repeated administration of opioids alters characteristics of membrane-bound phorbol ester binding in rat brain. Eur J Pharmacol. 1994 Dec 27;271(2-3):547-50.@@Ohta S, Niwa M, Nozaki M, Tsurumi K, Shimonaka H, Tanahashi T, Uematsu H, Yamamoto M, Fujimura H: [Kappa-type opioid receptor in human placental membrane]. Masui. 1989 Oct;38(10):1293-300.@@Walsh SL, Chausmer AE, Strain EC, Bigelow GE: Evaluation of the mu and kappa opioid actions of butorphanol in humans through differential naltrexone blockade. Psychopharmacology (Berl). 2008 Jan;196(1):143-55. Epub 2007 Oct 2."	Approved; Illicit; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Antitussive Agents; Heterocyclic Compounds, Fused-Ring; Respiratory System Agents; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids"	[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1					2142	46507553	D00837	PA164745398		DAP000214	Butorphanol	CHEMBL33986	1841
DB00613	Amodiaquine	BE0002436	HNMT	P50135	HNMT_HUMAN	inhibitor	17222819; 6789797; 1203620; 11752352	"Yokoyama A, Mori S, Takahashi HK, Kanke T, Wake H, Nishibori M: Effect of amodiaquine, a histamine N-methyltransferase inhibitor, on, Propionibacterium acnes and lipopolysaccharide-induced hepatitis in mice. Eur J Pharmacol. 2007 Mar 8;558(1-3):179-84. Epub 2006 Nov 22.@@Nowak JZ, Zandarowska E: Effect of amodiaquine on histamine level and histamine-methyltransferase activity in the rat brain. Arch Immunol Ther Exp (Warsz). 1980;28(6):927-30.@@Barth H, Lorenz W, Troidl H: Effect of amodiaquine on gastric histamine methyltransferase and on histamine-stimulated gastric secretion. Br J Pharmacol. 1975 Nov;55(3):321-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Aminoquinolines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Anti-Infective Agents; Quinolines"	CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1						46506940	D02922	PA448404		DAP000699	Amodiaquine	CHEMBL682	720
DB00615	Rifabutin	BE0001120	HSP90AA1	P07900	HS90A_HUMAN	other/unknown	10701840; 10759403; 10919672; 11306472; 11358819	"Schnaider T, Somogyi J, Csermely P, Szamel M: The Hsp90-specific inhibitor geldanamycin selectively disrupts kinase-mediated signaling events of T-lymphocyte activation. Cell Stress Chaperones. 2000 Jan;5(1):52-61.@@Neckers L, Schulte TW, Mimnaugh E: Geldanamycin as a potential anti-cancer agent: its molecular target and biochemical activity. Invest New Drugs. 1999;17(4):361-73.@@Srethapakdi M, Liu F, Tavorath R, Rosen N: Inhibition of Hsp90 function by ansamycins causes retinoblastoma gene product-dependent G1 arrest. Cancer Res. 2000 Jul 15;60(14):3940-6.@@Munster PN, Srethapakdi M, Moasser MM, Rosen N: Inhibition of heat shock protein 90 function by ansamycins causes the morphological and functional differentiation of breast cancer cells. Cancer Res. 2001 Apr 1;61(7):2945-52.@@Yang J, Yang JM, Iannone M, Shih WJ, Lin Y, Hait WN: Disruption of the EF-2 kinase/Hsp90 protein complex: a possible mechanism to inhibit glioblastoma by geldanamycin. Cancer Res. 2001 May 15;61(10):4010-6."	Approved; Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Lactams, Macrocyclic; P-glycoprotein inducers; Antiinfectives for Systemic Use; Cytochrome P-450 Enzyme Inducers; Drugs for Treatment of Tuberculosis; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C8 Inducers; Rifamycins; Cytochrome P-450 CYP2C8 Inducers (weak); Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C19 Inducers (moderate); Cytochrome P-450 CYP3A4 Inducers (weak); Antimycobacterials; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP2C19 Inducers; Rifamycin Antimycobacterial; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Antibiotics, Antitubercular"	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21					8316	46506468	D00424	PA451249		DAP000656	Rifabutin	CHEMBL444633	55672
DB00616	Candoxatril	BE0000266	MME	P08473	NEP_HUMAN	inhibitor	1315825; 1386491; 16025254; 16449355; 7511759; 11752352	"O'Connell JE, Jardine AG, Davidson G, Connell JM: Candoxatril, an orally active neutral endopeptidase inhibitor, raises plasma atrial natriuretic factor and is natriuretic in essential hypertension. J Hypertens. 1992 Mar;10(3):271-7.@@Elsner D, Muntze A, Kromer EP, Riegger GA: Effectiveness of endopeptidase inhibition (candoxatril) in congestive heart failure. Am J Cardiol. 1992 Aug 15;70(4):494-8.@@Plamboeck A, Holst JJ, Carr RD, Deacon CF: Neutral endopeptidase 24.11 and dipeptidyl peptidase IV are both mediators of the degradation of glucagon-like peptide 1 in the anaesthetised pig. Diabetologia. 2005 Sep;48(9):1882-90. Epub 2005 Jul 16.@@Sansoe G, Aragno M, Mastrocola R, Cutrin JC, Silvano S, Mengozzi G, Smedile A, Rosina F, Danni O, Rizzetto M: Overexpression of kidney neutral endopeptidase (EC 3.4.24.11) and renal function in experimental cirrhosis. Am J Physiol Renal Physiol. 2006 Jun;290(6):F1337-43. Epub 2006 Jan 31.@@Hirata Y, Suzuki E, Hayakawa H, Matsuoka H, Sugimoto T, Kangawa K, Matsuo H: Mechanisms of the natriuretic effects of neutral endopeptidase inhibition in Dahl salt-sensitive and salt-resistant rats. J Cardiovasc Pharmacol. 1994 Feb;23(2):283-90.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes	"Fatty Acids, Volatile; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Antihypertensive Agents; Lipids; Indenes; Neprilysin, antagonists & inhibitors; Prodrugs; Acids, Acyclic; Fatty Acids"	COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1						46509011	D01070	PA164764517		DAP001145	Candoxatril	CHEMBL35084	
DB00616	Candoxatril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11300648; 16642666	"Dumoulin MJ, Adam A, Rouleau JL, Lamontagne D: Comparison of a vasopeptidase inhibitor with neutral endopeptidase and angiotensin-converting enzyme inhibitors on bradykinin metabolism in the rat coronary bed. J Cardiovasc Pharmacol. 2001 Apr;37(4):359-66.@@Kostova E, Jovanoska E, Zafirov D, Jakovski K, Maleska V, Slaninka-Miceska M: Dual inhibition of angiotensin converting enzyme and neutral endopeptidase produces effective blood pressure control in spontaneously hypertensive rats. Bratisl Lek Listy. 2005;106(12):407-11."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes	"Fatty Acids, Volatile; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Antihypertensive Agents; Lipids; Indenes; Neprilysin, antagonists & inhibitors; Prodrugs; Acids, Acyclic; Fatty Acids"	COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1						46509011	D01070	PA164764517		DAP001145	Candoxatril	CHEMBL35084	
DB00617	Paramethadione	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	28963561	"Gaspar HA, Breen G: Drug enrichment and discovery from schizophrenia genome-wide association results: an analysis and visualisation approach. Sci Rep. 2017 Sep 29;7(1):12460. doi: 10.1038/s41598-017-12325-3."	Approved	Oxazolidinediones	Organic compounds; Organoheterocyclic compounds; Azolidines; Oxazolidines	Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C9 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Oxazolidine Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Anticonvulsants; Cytochrome P-450 CYP2C8 Substrates	CCC1(C)OC(=O)N(C)C1=O						46509173	D00495	PA164748880		DAP001266	Paramethadione	CHEMBL1100	32894
DB00619	Imatinib	BE0004743	BCR	P11274	BCR_HUMAN	inhibitor	15206509; 20072827; 12600228; 23226582	"Nadal E, Olavarria E: Imatinib mesylate (Gleevec/Glivec) a molecular-targeted therapy for chronic myeloid leukaemia and other malignancies. Int J Clin Pract. 2004 May;58(5):511-6.@@Waller CF: Imatinib mesylate. Recent Results Cancer Res. 2010;184:3-20. doi: 10.1007/978-3-642-01222-8_1.@@Croom KF, Perry CM: Imatinib mesylate: in the treatment of gastrointestinal stromal tumours. Drugs. 2003;63(5):513-22; discussion 523-4.@@Reddy EP, Aggarwal AK: The ins and outs of bcr-abl inhibition. Genes Cancer. 2012 May;3(5-6):447-54. doi: 10.1177/1947601912462126."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0000453	KIT	P10721	KIT_HUMAN	antagonist	16865565; 16087693; 17458563; 17369583; 17559139	"Lee JL, Kim JY, Ryu MH, Kang HJ, Chang HM, Kim TW, Lee H, Park JH, Kim HC, Kim JS, Kang YK: Response to imatinib in KIT- and PDGFRA-wild type gastrointestinal stromal associated with neurofibromatosis type 1. Dig Dis Sci. 2006 Jun;51(6):1043-6.@@Dy GK, Miller AA, Mandrekar SJ, Aubry MC, Langdon RM Jr, Morton RF, Schild SE, Jett JR, Adjei AA: A phase II trial of imatinib (ST1571) in patients with c-kit expressing relapsed small-cell lung cancer: a CALGB and NCCTG study. Ann Oncol. 2005 Nov;16(11):1811-6. Epub 2005 Aug 8.@@Rutkowski P, Nowecki ZI, Debiec-Rychter M, Grzesiakowska U, Michej W, Wozniak A, Siedlecki JA, Limon J, vel Dobosz AJ, Kakol M, Osuch C, Ruka W: Predictive factors for long-term effects of imatinib therapy in patients with inoperable/metastatic CD117(+) gastrointestinal stromal tumors (GISTs). J Cancer Res Clin Oncol. 2007 Sep;133(9):589-97. Epub 2007 Apr 26.@@De Giorgi U: KIT mutations and imatinib dose effects in patients with gastrointestinal stromal tumors. J Clin Oncol. 2007 Mar 20;25(9):1146-7; author reply 1147-8.@@Posadas EM, Kwitkowski V, Kotz HL, Espina V, Minasian L, Tchabo N, Premkumar A, Hussain MM, Chang R, Steinberg SM, Kohn EC: A prospective analysis of imatinib-induced c-KIT modulation in ovarian cancer: a phase II clinical study with proteomic profiling. Cancer. 2007 Jul 15;110(2):309-17."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	16782438	"de Groot JW, Plaza Menacho I, Schepers H, Drenth-Diephuis LJ, Osinga J, Plukker JT, Links TP, Eggen BJ, Hofstra RM: Cellular effects of imatinib on medullary thyroid cancer cells harboring multiple endocrine neoplasia Type 2A and 2B associated RET mutations. Surgery. 2006 Jun;139(6):806-14."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	antagonist	15832750; 16052979; 16782438; 17579194; 17582306	"Catani M, De Milito R, Simi M: [New orientations in the management of advanced, metastatic gastrointestinal stromal tumors (GIST): combination of surgery and systemic therapy with imatinib in a case of primary gastric location]. Chir Ital. 2005 Jan-Feb;57(1):127-33.@@Kovacs M, Nagy P, Pak G, Feher J: [Gastrointestinal stromal tumors (GISTs): clinical and pathological features]. Orv Hetil. 2005 Jun 26;146(26):1375-81.@@de Groot JW, Plaza Menacho I, Schepers H, Drenth-Diephuis LJ, Osinga J, Plukker JT, Links TP, Eggen BJ, Hofstra RM: Cellular effects of imatinib on medullary thyroid cancer cells harboring multiple endocrine neoplasia Type 2A and 2B associated RET mutations. Surgery. 2006 Jun;139(6):806-14.@@de Groot JW, Zonnenberg BA, van Ufford-Mannesse PQ, de Vries MM, Links TP, Lips CJ, Voest EE: A phase II trial of imatinib therapy for metastatic medullary thyroid carcinoma. J Clin Endocrinol Metab. 2007 Sep;92(9):3466-9. Epub 2007 Jun 19.@@Delbaldo C: [Pharmacokinetic-pharmacodynamics relationships of imatinib (Glivec)]. Therapie. 2007 Mar-Apr;62(2):87-90. Epub 2007 Jun 21."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	antagonist	15894928; 15921304; 15928335; 15946589; 15995325	"Yi ES, Strong CR, Piao Z, Perucho M, Weidner N: Epithelioid gastrointestinal stromal tumor with PDGFRA activating mutation and immunoreactivity. Appl Immunohistochem Mol Morphol. 2005 Jun;13(2):157-61.@@Borbenyi Z: [Disorders with eosinophilia, treatment of hypereosinophilic syndrome]. Orv Hetil. 2005 May 1;146(18 Suppl 1):911-6.@@Corless CL, Schroeder A, Griffith D, Town A, McGreevey L, Harrell P, Shiraga S, Bainbridge T, Morich J, Heinrich MC: PDGFRA mutations in gastrointestinal stromal tumors: frequency, spectrum and in vitro sensitivity to imatinib. J Clin Oncol. 2005 Aug 10;23(23):5357-64. Epub 2005 May 31.@@Chen LL, Sabripour M, Andtbacka RH, Patel SR, Feig BW, Macapinlac HA, Choi H, Wu EF, Frazier ML, Benjamin RS: Imatinib resistance in gastrointestinal stromal tumors. Curr Oncol Rep. 2005 Jul;7(4):293-9.@@Tefferi A: Modern diagnosis and treatment of primary eosinophilia. Acta Haematol. 2005;114(1):52-60."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0001124	DDR1	Q08345	DDR1_HUMAN	antagonist	15972446; 15994946; 16168515; 16298518; 16401709; 18938156	"Gotlib J, Berube C, Growney JD, Chen CC, George TI, Williams C, Kajiguchi T, Ruan J, Lilleberg SL, Durocher JA, Lichy JH, Wang Y, Cohen PS, Arber DA, Heinrich MC, Neckers L, Galli SJ, Gilliland DG, Coutre SE: Activity of the tyrosine kinase inhibitor PKC412 in a patient with mast cell leukemia with the D816V KIT mutation. Blood. 2005 Oct 15;106(8):2865-70. Epub 2005 Jun 21.@@Xu L, Tong R, Cochran DM, Jain RK: Blocking platelet-derived growth factor-D/platelet-derived growth factor receptor beta signaling inhibits human renal cell carcinoma progression in an orthotopic mouse model. Cancer Res. 2005 Jul 1;65(13):5711-9.@@Neef M, Ledermann M, Saegesser H, Schneider V, Widmer N, Decosterd LA, Rochat B, Reichen J: Oral imatinib treatment reduces early fibrogenesis but does not prevent progression in the long term. J Hepatol. 2006 Jan;44(1):167-75. Epub 2005 Jul 12.@@Jubert C, Geoerger B, Grill J, Hartmann O, Vassal G: [Targeted therapies in pediatric oncology: a new therapeutic approach?]. Arch Pediatr. 2006 Feb;13(2):189-94. Epub 2005 Nov 17.@@Benjamin RS, Blanke CD, Blay JY, Bonvalot S, Eisenberg B: Management of gastrointestinal stromal tumors in the imatinib era: selected case studies. Oncologist. 2006 Jan;11(1):9-20.@@Day E, Waters B, Spiegel K, Alnadaf T, Manley PW, Buchdunger E, Walker C, Jarai G: Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinib, nilotinib and dasatinib. Eur J Pharmacol. 2008 Dec 3;599(1-3):44-53. doi: 10.1016/j.ejphar.2008.10.014. Epub 2008 Oct 11."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00619	Imatinib	BE0004741	DDR2	Q16832	DDR2_HUMAN	antagonist	18938156	"Day E, Waters B, Spiegel K, Alnadaf T, Manley PW, Buchdunger E, Walker C, Jarai G: Inhibition of collagen-induced discoidin domain receptor 1 and 2 activation by imatinib, nilotinib and dasatinib. Eur J Pharmacol. 2008 Dec 3;599(1-3):44-53. doi: 10.1016/j.ejphar.2008.10.014. Epub 2008 Oct 11."	Approved	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Myelosuppressive Agents; Cancer immunotherapy; OCT2 Inhibitors; Enzyme Inhibitors; Piperazines; QTc Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; UGT2B17 Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; OCT1 substrates; Immunotherapy; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Benzamides and benzamide derivatives; Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; UDP Glucuronosyltransferases Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Highest Risk QTc-Prolonging Agents; Pyrimidines; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1		Imatinib Inhibition of BCR-ABL	drug_action		12429	46505055	D01441	PA10804		DNC001383	Imatinib	CHEMBL941	282388
DB00620	Triamcinolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19744340; 16507850; 15976447	"Nehme A, Lobenhofer EK, Stamer WD, Edelman JL: Glucocorticoids with different chemical structures but similar glucocorticoid receptor potency regulate subsets of common and unique genes in human trabecular meshwork cells. BMC Med Genomics. 2009 Sep 10;2:58. doi: 10.1186/1755-8794-2-58.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Shahin V, Ludwig Y, Schafer C, Nikova D, Oberleithner H: Glucocorticoids remodel nuclear envelope structure and permeability. J Cell Sci. 2005 Jul 1;118(Pt 13):2881-9."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnadienes; Pregnanes; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Corticosteroids for Local Oral Treatment; Cytochrome P-450 CYP3A7 Inducers; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Immunologic Factors; Sensory Organs; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Protein-Lysine 6-Oxidase, antagonists & inhibitors; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7591	46507950	D00385	PA451749		DAP000417	Triamcinolone	CHEMBL1451	10759
DB00622	Nicardipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	11160515	"Bell DC, Butcher AJ, Berrow NS, Page KM, Brust PF, Nesterova A, Stauderman KA, Seabrook GR, Nurnberg B, Dolphin AC: Biophysical properties, pharmacology, and modulation of human, neuronal L-type (alpha(1D), Ca(V)1.3) voltage-dependent calcium currents. J Neurophysiol. 2001 Feb;85(2):816-27."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0003565	PDE1A	P54750	PDE1A_HUMAN	inhibitor	9231746	"Sharma RK, Wang JH, Wu Z: Mechanisms of inhibition of calmodulin-stimulated cyclic nucleotide phosphodiesterase by dihydropyridine calcium antagonists. J Neurochem. 1997 Aug;69(2):845-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	2981533	"Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	2981533	"Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	2981533	"Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	2981533	"Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	2981533	"Thayer SA, Welcome M, Chhabra A, Fairhurst AS: Effects of dihydropyridine calcium channel blocking drugs on rat brain muscarinic and alpha-adrenergic receptors. Biochem Pharmacol. 1985 Jan 15;34(2):175-80."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inhibitor	18091748	"Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00622	Nicardipine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00623	Fluphenazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11873706; 7508675; 7828655; 11752352	"Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Hoyberg OJ, Fensbo C, Remvig J, Lingjaerde O, Sloth-Nielsen M, Salvesen I: Risperidone versus perphenazine in the treatment of chronic schizophrenic patients with acute exacerbations. Acta Psychiatr Scand. 1993 Dec;88(6):395-402.@@Qin ZH, Weiss B: Dopamine receptor blockade increases dopamine D2 receptor and glutamic acid decarboxylase mRNAs in mouse substantia nigra. Eur J Pharmacol. 1994 Sep 15;269(1):25-33.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Delayed-Action Preparations; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1					8013	46506645	D07977	PA449676		DCL000806	Fluphenazine	CHEMBL726	4496
DB00623	Fluphenazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN		17606915	"Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R: Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. Epub 2007 Jul 2."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Delayed-Action Preparations; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1					8013	46506645	D07977	PA449676		DCL000806	Fluphenazine	CHEMBL726	4496
DB00624	Testosterone	BE0000123	ESR1	P03372	ESR1_HUMAN	inhibitor	12676605; 10973921	"Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502.@@Zhou J, Ng S, Adesanya-Famuiya O, Anderson K, Bondy CA: Testosterone inhibits estrogen-induced mammary epithelial proliferation and suppresses estrogen receptor expression. FASEB J. 2000 Sep;14(12):1725-30. doi: 10.1096/fj.99-0863com."	Approved; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); 3-Oxoandrosten (4) Derivatives; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Anabolic Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; P-glycoprotein inhibitors; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism	disease; metabolic		7478	46505691	D00075	PA451627		DAP000841	Testosterone	CHEMBL386630	10379
DB00624	Testosterone	BE0000668	NR3C2	P08235	MCR_HUMAN	ligand	17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Approved; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); 3-Oxoandrosten (4) Derivatives; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Anabolic Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; P-glycoprotein inhibitors; Gonadal Hormones; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism	disease; metabolic		7478	46505691	D00075	PA451627		DAP000841	Testosterone	CHEMBL386630	10379
DB00626	Bacitracin	BE0000910	A2M	P01023	A2MG_HUMAN	inhibitor	42903; 6162847; 6165617; 6184373; 6187372	"Maxfield FR, Davies PJ, Klempner L, Willingham MC, Pastan I: Epidermal growth factor stimulation of DNA synthesis is potentiated by compounds that inhibit its clustering in coated pits. Proc Natl Acad Sci U S A. 1979 Nov;76(11):5731-5.@@Dickson RB, Willingham MC, Pastan I: Binding and internalization of 125I-alpha 2-macroglobulin by cultured fibroblasts. J Biol Chem. 1981 Apr 10;256(7):3454-9.@@Dickson RB, Willingham MC, Gallo M, Pastan I: Inhibition by bacitracin of high affinity binding of 125I-alpha 2M to plasma membranes. FEBS Lett. 1981 Apr 20;126(2):265-8.@@Hanover JA, Cheng S, Willingham MC, Pastan IH: alpha 2-Macroglobulin binding to cultured fibroblasts. Solubilization and partial purification of binding sites. J Biol Chem. 1983 Jan 10;258(1):370-7.@@Gliemann J, Larsen TR, Sottrup-Jensen L: Cell association and degradation of alpha 2-macroglobulin-trypsin complexes in hepatocytes and adipocytes. Biochim Biophys Acta. 1983 Mar 31;756(2):230-7."	Approved; Vet_approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Peptides, Cyclic; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Antiinfectives for Systemic Use; Amino Acids, Peptides, and Proteins; Benzoates; Hydroxy Acids; Phenols; Throat Preparations; Acids, Carbocyclic; Peptides; Antibacterials for Systemic Use; Decreased Cell Wall Synthesis & Repair; Bacitracins; Anti-Infective Agents; Antibiotics for Topical Use; Anti-Infective Agents, Local"	CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC					8502	46504727	D00128	PA448531		DAP000710	Bacitracin	CHEMBL1200558	1291
DB00627	Niacin	BE0000783	NNMT	P40261	NNMT_HUMAN	binder	17139284; 17016423; 18996527	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Riederer M, Erwa W, Zimmermann R, Frank S, Zechner R: Adipose tissue as a source of nicotinamide N-methyltransferase and homocysteine. Atherosclerosis. 2009 Jun;204(2):412-7. doi: 10.1016/j.atherosclerosis.2008.09.015. Epub 2008 Sep 27."	Approved; Investigational; Nutraceutical	Pyridinecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Peripheral Vasodilators; Vitamins; Growth Substances; Hyperglycemia-Associated Agents; Noxae; Lipid Modifying Agents; Thyroxine-binding globulin inhibitors; Pyridines; Cardiovascular Agents; Vitamin B Complex; Miscellaneous Antilipemic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Nicotinic Acid and Derivatives; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Diet, Food, and Nutrition; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Micronutrients; Cytochrome P-450 CYP2E1 Inhibitors; Physiological Phenomena; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions"	OC(=O)C1=CN=CC=C1		Nicotinate and Nicotinamide Metabolism	metabolic		474	46507508	D00049	PA450617			Niacin	CHEMBL573	7393
DB00628	Clorazepic acid	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2					2495	46506595	D00694	PA164749297		DAP000240	Clorazepate	CHEMBL1213252	235408
DB00628	Clorazepic acid	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2					2495	46506595	D00694	PA164749297		DAP000240	Clorazepate	CHEMBL1213252	235408
DB00630	Alendronic acid	BE0000980	PTPN4	P29074	PTN4_HUMAN	inhibitor	9310349	"Opas EE, Rutledge SJ, Golub E, Stern A, Zimolo Z, Rodan GA, Schmidt A: Alendronate inhibition of protein-tyrosine-phosphatase-meg1. Biochem Pharmacol. 1997 Sep 15;54(6):721-7."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases	NCCCC(O)(P(O)(O)=O)P(O)(O)=O		Alendronate Action Pathway	drug_action		13353	46507199		PA448082		DAP000182	Alendronic_acid	CHEMBL870	236083
DB00630	Alendronic acid	BE0003567	PTPRS	Q13332	PTPRS_HUMAN	inhibitor	9310349; 8610169; 11752352	"Opas EE, Rutledge SJ, Golub E, Stern A, Zimolo Z, Rodan GA, Schmidt A: Alendronate inhibition of protein-tyrosine-phosphatase-meg1. Biochem Pharmacol. 1997 Sep 15;54(6):721-7.@@Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases	NCCCC(O)(P(O)(O)=O)P(O)(O)=O		Alendronate Action Pathway	drug_action		13353	46507199		PA448082		DAP000182	Alendronic_acid	CHEMBL870	236083
DB00630	Alendronic acid	BE0003568	PTPRE	P23469	PTPRE_HUMAN	inhibitor	8610169	"Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases	NCCCC(O)(P(O)(O)=O)P(O)(O)=O		Alendronate Action Pathway	drug_action		13353	46507199		PA448082		DAP000182	Alendronic_acid	CHEMBL870	236083
DB00630	Alendronic acid	BE0003569	ATP6V1A	P38606	VATA_HUMAN	inhibitor	8889850	"David P, Nguyen H, Barbier A, Baron R: The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996 Oct;11(10):1498-507."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases	NCCCC(O)(P(O)(O)=O)P(O)(O)=O		Alendronate Action Pathway	drug_action		13353	46507199		PA448082		DAP000182	Alendronic_acid	CHEMBL870	236083
DB00631	Clofarabine	BE0000546	POLA1	P09884	DPOLA_HUMAN	inhibitor	17139284; 17016423; 20631817; 15230627; 18780321; 18728851; 17852710; 19519505; 19576186	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Pession A, Masetti R, Kleinschmidt K, Martoni A: Use of clofarabine for acute childhood leukemia. Biologics. 2010 Jun 24;4:111-8.@@Authors unspecified: Clofarabine. Drugs R D. 2004;5(4):213-7.@@Musto P, Ferrara F: Clofarabine: in search of combinations for the treatment of patients with high-risk acute myeloid leukemia. Cancer. 2008 Oct 15;113(8):1995-8. doi: 10.1002/cncr.23804.@@Harned TM, Gaynon PS: Treating refractory leukemias in childhood, role of clofarabine. Ther Clin Risk Manag. 2008 Apr;4(2):327-36.@@Kantarjian HM, Jeha S, Gandhi V, Wess M, Faderl S: Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Zhenchuk A, Lotfi K, Juliusson G, Albertioni F: Mechanisms of anti-cancer action and pharmacology of clofarabine. Biochem Pharmacol. 2009 Dec 1;78(11):1351-9. doi: 10.1016/j.bcp.2009.06.094. Epub 2009 Jul 1."	Approved; Investigational	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"	"Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Nucleosides; Antimetabolites; Noxae; Hypotensive Agents; Adenine Nucleotides; Ribonucleotides; Drugs that are Mainly Renally Excreted; Nucleotides; Arabinonucleosides; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; OCT2 Substrates with a Narrow Therapeutic Index; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues"	[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12					20504	46504968		PA164754863		DAP000849	Clofarabine	CHEMBL1750	44151
DB00635	Prednisone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	17121036; 16597193; 17504182; 17062674; 16707595; 11752352; 15634032	"Liu BG, Li ZY, Du M: [Effects of jingui shenqi pill combined prednisone on expression of glucocorticoid receptor and its clinical effect in treating bullous pemphigoid patients]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 2006 Oct;26(10):881-4.@@Friel PN, Alexander T, Wright JV: Suppression of adrenal function by low-dose prednisone: assessment with 24-hour urinary steroid hormone profiles--a review of five cases. Altern Med Rev. 2006 Mar;11(1):40-6.@@Diez JJ, Iglesias P: Pharmacological therapy of Cushing's syndrome: drugs and indications. Mini Rev Med Chem. 2007 May;7(5):467-80.@@Yano A, Fujii Y, Iwai A, Kawakami S, Kageyama Y, Kihara K: Glucocorticoids suppress tumor lymphangiogenesis of prostate cancer cells. Clin Cancer Res. 2006 Oct 15;12(20 Pt 1):6012-7.@@Yano A, Fujii Y, Iwai A, Kageyama Y, Kihara K: Glucocorticoids suppress tumor angiogenesis and in vivo growth of prostate cancer cells. Clin Cancer Res. 2006 May 15;12(10):3003-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Hormones; P-glycoprotein inhibitors; Prednisolone and Prodrugs; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C		Prednisone Metabolism Pathway; Prednisone Action Pathway	drug_metabolism; drug_action		7566	46508166	D00473	PA451100		DAP001041	Prednisone	CHEMBL635	8640
DB00636	Clofibrate	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	10454501; 10753628; 10787442; 10922459; 10951268; 20671072; 20637823	"Barclay TB, Peters JM, Sewer MB, Ferrari L, Gonzalez FJ, Morgan ET: Modulation of cytochrome P-450 gene expression in endotoxemic mice is tissue specific and peroxisome proliferator-activated receptor-alpha dependent. J Pharmacol Exp Ther. 1999 Sep;290(3):1250-7.@@Murata M, Kaji H, Takahashi Y, Iida K, Mizuno I, Okimura Y, Abe H, Chihara K: Stimulation by eicosapentaenoic acids of leptin mRNA expression and its secretion in mouse 3T3-L1 adipocytes in vitro. Biochem Biophys Res Commun. 2000 Apr 13;270(2):343-8.@@Hunt MC, Lindquist PJ, Peters JM, Gonzalez FJ, Diczfalusy U, Alexson SE: Involvement of the peroxisome proliferator-activated receptor alpha in regulating long-chain acyl-CoA thioesterases. J Lipid Res. 2000 May;41(5):814-23.@@Casas F, Domenjoud L, Rochard P, Hatier R, Rodier A, Daury L, Bianchi A, Kremarik-Bouillaud P, Becuwe P, Keller J, Schohn H, Wrutniak-Cabello C, Cabello G, Dauca M: A 45 kDa protein related to PPARgamma2, induced by peroxisome proliferators, is located in the mitochondrial matrix. FEBS Lett. 2000 Jul 28;478(1-2):4-8.@@Komuves LG, Hanley K, Lefebvre AM, Man MQ, Ng DC, Bikle DD, Williams ML, Elias PM, Auwerx J, Feingold KR: Stimulation of PPARalpha promotes epidermal keratinocyte differentiation in vivo. J Invest Dermatol. 2000 Sep;115(3):353-60.@@Gelosa P, Banfi C, Gianella A, Brioschi M, Pignieri A, Nobili E, Castiglioni L, Cimino M, Tremoli E, Sironi L: Peroxisome proliferator-activated receptor {alpha} agonism prevents renal damage and the oxidative stress and inflammatory processes affecting the brains of stroke-prone rats. J Pharmacol Exp Ther. 2010 Nov;335(2):324-31. doi: 10.1124/jpet.110.171090. Epub  2010 Jul 29.@@Palkar PS, Anderson CR, Ferry CH, Gonzalez FJ, Peters JM: Effect of prenatal peroxisome proliferator-activated receptor alpha (PPARalpha) agonism on postnatal development. Toxicology. 2010 Sep 30;276(1):79-84. doi: 10.1016/j.tox.2010.07.008. Epub 2010 Jul 15."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Cytochrome P-450 CYP3A Substrates; Ethers; Benzene Derivatives; Lipid Modifying Agents; Cytochrome P-450 CYP2E1 Inducers; Butyrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents; Phenyl Ethers; Clofibric Acid; Cytochrome P-450 CYP3A Inducers"	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1					9842	46504748	D00279	PA449045		DAP000262	Clofibrate	CHEMBL565	2594
DB00637	Astemizole	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	8001268; 6146346; 3147222; 10597865; 10597866; 6204835; 2892659; 11752352	"Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Howarth PH, Emanuel MB, Holgate ST: Astemizole, a potent histamine H1-receptor antagonist: effect in allergic rhinoconjunctivitis, on antigen and histamine induced skin weal responses and relationship to serum levels. Br J Clin Pharmacol. 1984 Jul;18(1):1-8.@@Kaliner MA, Check WA: Non-sedating antihistamines. Allergy Proc. 1988 Nov-Dec;9(6):649-63.@@Cavero I, Mestre M, Guillon JM, Heuillet E, Roach AG: Preclinical in vitro cardiac electrophysiology: a method of predicting arrhythmogenic potential of antihistamines in humans? Drug Saf. 1999;21 Suppl 1:19-31; discussion 81-7.@@Llenas J, Cardelus I, Heredia A, de Mora F, Gristwood RW: Cardiotoxicity of histamine and the possible role of histamine in the arrhythmogenesis produced by certain antihistamines. Drug Saf. 1999;21 Suppl 1:33-8; discussion 81-7.@@Richards DM, Brogden RN, Heel RC, Speight TM, Avery GS: Astemizole. A review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1984 Jul;28(1):38-61.@@Krstenansky PM, Cluxton RJ Jr: Astemizole: a long-acting, nonsedating antihistamine. Drug Intell Clin Pharm. 1987 Dec;21(12):947-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles"	COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1		Astemizole H1-Antihistamine Action	drug_action		1879	46508569	D00234	PA448498		DAP000326	Astemizole	CHEMBL296419	42328
DB00637	Astemizole	BE0005191	KCNH1	O95259	KCNH1_HUMAN		15365094	"Garcia-Ferreiro RE, Kerschensteiner D, Major F, Monje F, Stuhmer W, Pardo LA: Mechanism of block of hEag1 K+ channels by imipramine and astemizole. J Gen Physiol. 2004 Oct;124(4):301-17. Epub 2004 Sep 13."	Approved; Withdrawn	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles"	COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1		Astemizole H1-Antihistamine Action	drug_action		1879	46508569	D00234	PA448498		DAP000326	Astemizole	CHEMBL296419	42328
DB00637	Astemizole	BE0003474	MAPT	P10636	TAU_HUMAN		20110603	"Rojo LE, Alzate-Morales J, Saavedra IN, Davies P, Maccioni RB: Selective interaction of lansoprazole and astemizole with tau polymers: potential new clinical use in diagnosis of Alzheimer's disease. J Alzheimers Dis. 2010;19(2):573-89. doi: 10.3233/JAD-2010-1262."	Approved; Withdrawn	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Anti-Allergic Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Benzimidazoles"	COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1		Astemizole H1-Antihistamine Action	drug_action		1879	46508569	D00234	PA448498		DAP000326	Astemizole	CHEMBL296419	42328
DB00640	Adenosine	BE0000013	ADORA1	P30542	AA1R_HUMAN	agonist	20370662; 20370661; 17321471; 20136829; 17438146; 17442976	"Trincavelli ML, Daniele S, Martini C: Adenosine receptors: what we know and what we are learning. Curr Top Med Chem. 2010;10(9):860-77.@@Schenone S, Brullo C, Musumeci F, Bruno O, Botta M: A1 receptors ligands: past, present and future trends. Curr Top Med Chem. 2010;10(9):878-901.@@Ezeamuzie CI, Khan I: The role of adenosine A(2) receptors in the regulation of TNF-alpha production and PGE(2) release in mouse peritoneal macrophages. Int Immunopharmacol. 2007 Apr;7(4):483-90. Epub 2006 Dec 29.@@Buenestado A, Grassin Delyle S, Arnould I, Besnard F, Naline E, Blouquit-Laye S, Chapelier A, Bellamy JF, Devillier P: The role of adenosine receptors in regulating production of tumour necrosis factor-alpha and chemokines by human lung macrophages. Br J Pharmacol. 2010 Mar;159(6):1304-11. doi: 10.1111/j.1476-5381.2009.00614.x. Epub 2010 Feb 5.@@Funakoshi H, Zacharia LC, Tang Z, Zhang J, Lee LL, Good JC, Herrmann DE, Higuchi Y, Koch WJ, Jackson EK, Chan TO, Feldman AM: A1 adenosine receptor upregulation accompanies decreasing myocardial adenosine levels in mice with left ventricular dysfunction. Circulation. 2007 May 1;115(17):2307-15. Epub 2007 Apr 16.@@Haschemi A, Wagner O, Marculescu R, Wegiel B, Robson SC, Gagliani N, Gallo D, Chen JF, Bach FH, Otterbein LE: Cross-regulation of carbon monoxide and the adenosine A2a receptor in macrophages. J Immunol. 2007 May 1;178(9):5921-9."	Approved; Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Purinergic Agonists; Sensory System Agents; Miscellaneous Cardiac Drugs; Purines; Glycosides; QTc Prolonging Agents; Nucleosides; Ribonucleosides; Carbohydrates; Agents producing tachycardia; Purinergic P1 Receptor Agonists; Hydrocarbons, Acyclic; Cardiovascular Agents; Cyclohexenes; Miscellaneous Therapeutic Agents; Alkenes; Cycloparaffins; Adenosine, antagonists & inhibitors; Purinergic Agents; Cyclohexanes; Terpenes; Purine Nucleosides; Biological Factors; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Nucleic Acids, Nucleotides, and Nucleosides; Peripheral Nervous System Agents; Analgesics; Antiarrhythmics, Class V; Antiarrhythmic agents; Central Nervous System Agents; Cardiac Therapy; Polyenes; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents"	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1		"Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Glycine N-Methyltransferase Deficiency; Mitochondrial DNA Depletion Syndrome; Hypermethioninemia; Adenosine Deaminase Deficiency; Selenoamino Acid Metabolism; Xanthinuria Type II; Methionine Metabolism; Myoadenylate Deaminase Deficiency; Cystathionine beta-Synthase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency"	signaling; disease; metabolic; drug_action		4732	46508728	D00045	PA448049		DAP000223	Adenosine	CHEMBL477	296
DB00640	Adenosine	BE0000241	ADORA2B	P29275	AA2BR_HUMAN	agonist	20370662; 20370661; 17321471; 16339914; 20136829; 17438146; 17442976	"Trincavelli ML, Daniele S, Martini C: Adenosine receptors: what we know and what we are learning. Curr Top Med Chem. 2010;10(9):860-77.@@Schenone S, Brullo C, Musumeci F, Bruno O, Botta M: A1 receptors ligands: past, present and future trends. Curr Top Med Chem. 2010;10(9):878-901.@@Ezeamuzie CI, Khan I: The role of adenosine A(2) receptors in the regulation of TNF-alpha production and PGE(2) release in mouse peritoneal macrophages. Int Immunopharmacol. 2007 Apr;7(4):483-90. Epub 2006 Dec 29.@@Kreckler LM, Wan TC, Ge ZD, Auchampach JA: Adenosine inhibits tumor necrosis factor-alpha release from mouse peritoneal macrophages via A2A and A2B but not the A3 adenosine receptor. J Pharmacol Exp Ther. 2006 Apr;317(1):172-80. Epub 2005 Dec 9.@@Buenestado A, Grassin Delyle S, Arnould I, Besnard F, Naline E, Blouquit-Laye S, Chapelier A, Bellamy JF, Devillier P: The role of adenosine receptors in regulating production of tumour necrosis factor-alpha and chemokines by human lung macrophages. Br J Pharmacol. 2010 Mar;159(6):1304-11. doi: 10.1111/j.1476-5381.2009.00614.x. Epub 2010 Feb 5.@@Funakoshi H, Zacharia LC, Tang Z, Zhang J, Lee LL, Good JC, Herrmann DE, Higuchi Y, Koch WJ, Jackson EK, Chan TO, Feldman AM: A1 adenosine receptor upregulation accompanies decreasing myocardial adenosine levels in mice with left ventricular dysfunction. Circulation. 2007 May 1;115(17):2307-15. Epub 2007 Apr 16.@@Haschemi A, Wagner O, Marculescu R, Wegiel B, Robson SC, Gagliani N, Gallo D, Chen JF, Bach FH, Otterbein LE: Cross-regulation of carbon monoxide and the adenosine A2a receptor in macrophages. J Immunol. 2007 May 1;178(9):5921-9."	Approved; Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Purinergic Agonists; Sensory System Agents; Miscellaneous Cardiac Drugs; Purines; Glycosides; QTc Prolonging Agents; Nucleosides; Ribonucleosides; Carbohydrates; Agents producing tachycardia; Purinergic P1 Receptor Agonists; Hydrocarbons, Acyclic; Cardiovascular Agents; Cyclohexenes; Miscellaneous Therapeutic Agents; Alkenes; Cycloparaffins; Adenosine, antagonists & inhibitors; Purinergic Agents; Cyclohexanes; Terpenes; Purine Nucleosides; Biological Factors; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Nucleic Acids, Nucleotides, and Nucleosides; Peripheral Nervous System Agents; Analgesics; Antiarrhythmics, Class V; Antiarrhythmic agents; Central Nervous System Agents; Cardiac Therapy; Polyenes; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents"	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1		"Lesch-Nyhan Syndrome (LNS); Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Purine Nucleoside Phosphorylase Deficiency; Methionine Adenosyltransferase Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Thioguanine Action Pathway; Mercaptopurine Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Betaine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Glycine N-Methyltransferase Deficiency; Mitochondrial DNA Depletion Syndrome; Hypermethioninemia; Adenosine Deaminase Deficiency; Selenoamino Acid Metabolism; Xanthinuria Type II; Methionine Metabolism; Myoadenylate Deaminase Deficiency; Cystathionine beta-Synthase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency"	signaling; disease; metabolic; drug_action		4732	46508728	D00045	PA448049		DAP000223	Adenosine	CHEMBL477	296
DB00641	Simvastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	12518039; 11752352; 12433810; 12852453; 12677170; 12671581; 16128575	"Cenedella RJ, Kuszak JR, Al-Ghoul KJ, Qin S, Sexton PS: Discordant expression of the sterol pathway in lens underlies simvastatin-induced cataracts in Chbb: Thom rats. J Lipid Res. 2003 Jan;44(1):198-211.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kocarek TA, Dahn MS, Cai H, Strom SC, Mercer-Haines NA: Regulation of CYP2B6 and CYP3A expression by hydroxymethylglutaryl coenzyme A inhibitors in primary cultured human hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5.@@Liu L, Zhang R, Zhao JJ, Rogers JD, Hsieh JY, Fang W, Matuszewski BK, Dobrinska MR: Determination of simvastatin-derived HMG-CoA reductase inhibitors in biomatrices using an automated enzyme inhibition assay with radioactivity detection. J Pharm Biomed Anal. 2003 Apr 24;32(1):107-23.@@Pappu AS, Bacon SP, Illingworth DR: Residual effects of lovastatin and simvastatin on urinary mevalonate excretions in patients with familial hypercholesterolemia. J Lab Clin Med. 2003 Apr;141(4):250-6.@@Stoebner PE, Michot C, Ligeron C, Durand L, Meynadier J, Meunier L: [Simvastatin-induced lichen planus pemphigoides]. Ann Dermatol Venereol. 2003 Feb;130(2 Pt 1):187-90.@@Carbonell T, Freire E: Binding thermodynamics of statins to HMG-CoA reductase. Biochemistry. 2005 Sep 6;44(35):11741-8."	Approved	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates"	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC		Simvastatin Action Pathway	drug_action		1221	46508654	D00434	PA451363		DAP001519	Simvastatin	CHEMBL1064	36567
DB00641	Simvastatin	BE0000516	ITGAL	P20701	ITAL_HUMAN	inhibitory allosteric modulator	15041742; 11385505; 15822172; 16828882	"Katano H, Pesnicak L, Cohen JI: Simvastatin induces apoptosis of Epstein-Barr virus (EBV)-transformed lymphoblastoid cell lines and delays development of EBV lymphomas. Proc Natl Acad Sci U S A. 2004 Apr 6;101(14):4960-5. Epub 2004 Mar 23.@@Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748.@@Fujii T, Masuyama K, Kawashima K: Simvastatin regulates non-neuronal cholinergic activity in T lymphocytes via CD11a-mediated pathways. J Neuroimmunol. 2006 Oct;179(1-2):101-7. Epub 2006 Jul 10."	Approved	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates"	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC		Simvastatin Action Pathway	drug_action		1221	46508654	D00434	PA451363		DAP001519	Simvastatin	CHEMBL1064	36567
DB00641	Simvastatin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	18381445	"Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807."	Approved	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Noxae; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Lipid Modifying Agents, Plain; Cytochrome P-450 CYP2B6 Inhibitors (weak); UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A7 Substrates"	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC		Simvastatin Action Pathway	drug_action		1221	46508654	D00434	PA451363		DAP001519	Simvastatin	CHEMBL1064	36567
DB00642	Pemetrexed	BE0000330	DHFR	P00374	DYR_HUMAN	inhibitor	11524555; 11763166; 11841783; 11848474; 12023793; 11752352; 11252887; 11531245; 11742712; 14596699; 15795320; 12571811	"Hanauske AR, Chen V, Paoletti P, Niyikiza C: Pemetrexed disodium: a novel antifolate clinically active against multiple solid tumors. Oncologist. 2001;6(4):363-73.@@Norman P: Pemetrexed disodium (Eli Lilly). Curr Opin Investig Drugs. 2001 Nov;2(11):1611-22.@@Mauritz R, Peters GJ, Priest DG, Assaraf YG, Drori S, Kathmann I, Noordhuis P, Bunni MA, Rosowsky A, Schornagel JH, Pinedo HM, Jansen G: Multiple mechanisms of resistance to methotrexate and novel antifolates in human CCRF-CEM leukemia cells and their implications for folate homeostasis. Biochem Pharmacol. 2002 Jan 15;63(2):105-15.@@Schultz RM, Dempsey JA: Sequence dependence of Alimta (LY231514, MTA) combined with doxorubicin in ZR-75-1 human breast carcinoma cells. Anticancer Res. 2001 Sep-Oct;21(5):3209-14.@@Adjei AA: Pemetrexed in the treatment of selected solid tumors. Semin Oncol. 2002 Apr;29(2 Suppl 5):50-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Adjei AA: Gemcitabine and Pemetrexed disodium in treating breast cancer. Oncology (Williston Park). 2001 Feb;15(2 Suppl 3):34-7.@@Pivot X, Raymond E, Laguerre B, Degardin M, Cals L, Armand JP, Lefebvre JL, Gedouin D, Ripoche V, Kayitalire L, Niyikiza C, Johnson R, Latz J, Schneider M: Pemetrexed disodium in recurrent locally advanced or metastatic squamous cell carcinoma of the head and neck. Br J Cancer. 2001 Sep 1;85(5):649-55.@@Adjei AA: Gemcitabine and pemetrexed disodium combinations in vitro and in vivo. Lung Cancer. 2001 Dec;34 Suppl 4:S103-5.@@Molina JR, Adjei AA: The role of Pemetrexed (Alimta , LY231514) in lung cancer therapy. Clin Lung Cancer. 2003 Jul;5(1):21-7.@@Giovannetti E, Mey V, Nannizzi S, Pasqualetti G, Marini L, Del Tacca M, Danesi R: Cellular and pharmacogenetics foundation of synergistic interaction of pemetrexed and gemcitabine in human non-small-cell lung cancer cells. Mol Pharmacol. 2005 Jul;68(1):110-8. Epub 2005 Mar 28.@@Kindler HL: Pemetrexed in pancreatic cancer. Semin Oncol. 2002 Dec;29(6 Suppl 18):49-53."	Approved; Investigational	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Myelosuppressive Agents; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Folic Acid Analogues; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Antineoplastic Agents; Amino Acids; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Folic Acid Antagonists; Amino Acids, Dicarboxylic; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Glutamates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1					13326	46505640	D07472	PA10810		DCL000320	Pemetrexed	CHEMBL225072	68446
DB00643	Mebendazole	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN	inhibitor	8139621; 15500920; 11444621; 12099434; 17662615; 10592235	"Lubega GW, Geary TG, Klein RD, Prichard RK: Expression of cloned beta-tubulin genes of Haemonchus contortus in Escherichia coli: interaction of recombinant beta-tubulin with native tubulin and mebendazole. Mol Biochem Parasitol. 1993 Dec;62(2):281-92.@@MacDonald LM, Armson A, Thompson AR, Reynoldson JA: Characterisation of benzimidazole binding with recombinant tubulin from Giardia duodenalis, Encephalitozoon intestinalis, and Cryptosporidium parvum. Mol Biochem Parasitol. 2004 Nov;138(1):89-96.@@Oxberry ME, Gear TG, Prichard RK: Assessment of benzimidazole binding to individual recombinant tubulin isotypes from Haemonchus contortus. Parasitology. 2001 Jun;122(Pt 6):683-7.@@Ochola DO, Prichard RK, Lubega GW: Classical ligands bind tubulin of trypanosomes and inhibit their growth in vitro. J Parasitol. 2002 Jun;88(3):600-4.@@Wampande EM, Richard McIntosh J, Lubega GW: Classical ligands interact with native and recombinant tubulin from Onchocerca volvulus with similar rank order of magnitude. Protein Expr Purif. 2007 Oct;55(2):236-45. Epub 2007 Apr 25.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Vet_approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Mitosis Modulators; Tubulin Modulators; Anti-Infective Agents; Antihelminthic; Heterocyclic Compounds, Fused-Ring; Antimitotic Agents; Antiparasitic Products, Insecticides and Repellents; Carbamates; Acids, Acyclic; Anthelmintics; Benzimidazole Derivatives; Antinematodal Agents; Antiparasitic Agents; Benzimidazoles"	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1					2434	46508807	D00368	PA164776669		DAP000950	Mebendazole	CHEMBL685	6672
DB00644	Gonadorelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist	15967801; 16962597; 16973761; 17002488; 17068198; 11752352	"Lu ZL, Gallagher R, Sellar R, Coetsee M, Millar RP: Mutations remote from the human gonadotropin-releasing hormone (GnRH) receptor-binding sites specifically increase binding affinity for GnRH II but not GnRH I: evidence for ligand-selective, receptor-active conformations. J Biol Chem. 2005 Aug 19;280(33):29796-803. Epub 2005 Jun 20.@@Moles G, Carrillo M, Mananos E, Mylonas CC, Zanuy S: Temporal profile of brain and pituitary GnRHs, GnRH-R and gonadotropin mRNA expression and content during early development in European sea bass (Dicentrarchus labrax L.). Gen Comp Endocrinol. 2007 Jan 1;150(1):75-86. Epub 2006 Sep 8.@@Mamputha S, Lu ZL, Roeske RW, Millar RP, Katz AA, Flanagan CA: Conserved amino acid residues that are important for ligand binding in the type I gonadotropin-releasing hormone (GnRH) receptor are required for high potency of GnRH II at the type II GnRH receptor. Mol Endocrinol. 2007 Jan;21(1):281-92. Epub 2006 Sep 14.@@Lee PA, Houk CP: Gonadotropin-releasing hormone analog therapy for central precocious puberty and other childhood disorders affecting growth and puberty. Treat Endocrinol. 2006;5(5):287-96.@@Bliss SP, Navratil AM, Breed M, Skinner DC, Clay CM, Roberson MS: Signaling complexes associated with the type I gonadotropin-releasing hormone (GnRH) receptor: colocalization of extracellularly regulated kinase 2 and GnRH receptor within membrane rafts. Mol Endocrinol. 2007 Feb;21(2):538-49. Epub 2006 Oct 26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Nerve Tissue Proteins; Proteins; Hormones; Gonadotropin-Releasing Hormone, agonists; Diagnostic Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Tests for Fertility Disturbances; Peptide Hormones; Pituitary Function; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O					7362	46506144		PA449801		DAP001052	Gonadorelin	CHEMBL1981292	6384
DB00645	Dyclonine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 10355012; 9476974	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Roghani S, Duperon DF, Barcohana N: Evaluating the efficacy of commonly used topical anesthetics. Pediatr Dent. 1999 May-Jun;21(3):197-200.@@Tella SR, Goldberg SR: Monoamine transporter and sodium channel mechanisms in the rapid pressor response to cocaine. Pharmacol Biochem Behav. 1998 Feb;59(2):305-12."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sensory System Agents; Anesthetics, Local; Ketones; Central Nervous System Agents; Central Nervous System Depressants; Throat Preparations; Anesthetics; Nervous System; Peripheral Nervous System Agents"	CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1					5669	46506697		PA164748037		DAP000509	Dyclonine	CHEMBL1201217	23744
DB00647	Dextropropoxyphene	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	11752352; 6151117	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Neil A: Affinities of some common opioid analgesics towards four binding sites in mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1984 Nov;328(1):24-9."	Approved; Illicit; Investigational; Withdrawn	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); High-risk opioids; Opioid Agonist; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Propionates; Diphenylpropylamine Derivatives; Central Nervous System Agents; Nervous System; Opioids"	CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1		Propoxyphene Action Pathway	drug_action		2555	46506690	D07809	PA451142		DAP000017	Dextropropoxyphene	CHEMBL1213351	8785
DB00648	Mitotane	BE0000123	ESR1	P03372	ESR1_HUMAN		14579009	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs"	ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl					2100	46508319	D00420	PA164746157		DAP000033	Mitotane	CHEMBL1670	7004
DB00648	Mitotane	BE0000557	PGR	P06401	PRGR_HUMAN		14579009	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs"	ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl					2100	46508319	D00420	PA164746157		DAP000033	Mitotane	CHEMBL1670	7004
DB00648	Mitotane	BE0000242	FDX1	P10109	ADX_HUMAN	unknown	3770229; 11159707; 9118466	"Kandul SV, Iatsyk MI, Kononenko VIa: [Comparative study of the effect of chloditan on the concentration of cytochrome P-450 and adrenodoxin in various organs of the dog and rat]. Fiziol Zh. 1986 Sep-Oct;32(5):579-84.@@Cabrini DA, Campos MM, Tratsk KS, Merino VF, Silva JA Jr, Souza GE, Avellar MC, Pesquero JB, Calixto JB: Molecular and pharmacological evidence for modulation of kinin B(1) receptor expression by endogenous glucocorticoids hormones in rats. Br J Pharmacol. 2001 Jan;132(2):567-77.@@Cai W, Counsell RE, Schteingart DE, Sinsheimer JE, Vaz AD, Wotring LL: Adrenal proteins bound by a reactive intermediate of mitotane. Cancer Chemother Pharmacol. 1997;39(6):537-40."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A5 Inducers (strong); Cytochrome P-450 CYP3A4 Inducers; Hydrocarbons, Chlorinated; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Inducers; Adrenal Cytotoxic Agents; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Hydrocarbons, Halogenated; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs"	ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl					2100	46508319	D00420	PA164746157		DAP000033	Mitotane	CHEMBL1670	7004
DB00651	Dyphylline	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 225216; 7925603	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Iancu L, Shneur A, Cohen H: Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors"	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O					6711	46504443	D00691	PA164748027		DAP000596	Diprophylline	CHEMBL1752	3714
DB00651	Dyphylline	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	17139284; 17016423; 11752352; 225216; 7925603	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Iancu L, Shneur A, Cohen H: Trials with xanthine derivatives in systemic treatment of psoriasis. Dermatologica. 1979;159(1):55-61.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors"	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O					6711	46504443	D00691	PA164748027		DAP000596	Diprophylline	CHEMBL1752	3714
DB00651	Dyphylline	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	inhibitor	17139284; 17016423; 7925603	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hariton C: Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors"	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O					6711	46504443	D00691	PA164748027		DAP000596	Diprophylline	CHEMBL1752	3714
DB00651	Dyphylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	2997628	"Schwabe U, Ukena D, Lohse MJ: Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Vasodilating Agents; Purinones; Xanthine derivatives; Anti-Asthmatic Agents; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Respiratory System Agents; Xanthines and Adrenergics; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors"	CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O					6711	46504443	D00691	PA164748027		DAP000596	Diprophylline	CHEMBL1752	3714
DB00652	Pentazocine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	8788445	"Chien CC, Pasternak GW: (-)-Pentazocine analgesia in mice: interactions with a sigma receptor system. Eur J Pharmacol. 1995 Dec 27;294(1):303-8."	Approved; Vet_approved			"Sensory System Agents; Benzomorphans; Narcotics; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Partial Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Peripheral Nervous System Agents; Analgesics; Benzomorphan Derivatives; Adjuvants, Anesthesia; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids"	CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C		Pentazocine Action Pathway	drug_action		9401	46506363	D00498	PA164744326		DAP000356	Pentazocine	CHEMBL100116	8001
DB00653	Magnesium sulfate	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	16157690; 11300616; 8410712; 26422671; 19933511	"Brunet S, Scheuer T, Klevit R, Catterall WA: Modulation of CaV1.2 channels by Mg2+ acting at an EF-hand motif in the COOH-terminal domain. J Gen Physiol. 2005 Oct;126(4):311-23. doi: 10.1085/jgp.200509333. Epub 2005 Sep 12.@@Bara M, Guiet-Bara A: Magnesium regulation of Ca2+ channels in smooth muscle and endothelial cells of human allantochorial placental vessels. Magnes Res. 2001 Mar;14(1-2):11-8.@@Kuo CC, Hess P: Block of the L-type Ca2+ channel pore by external and internal Mg2+ in rat phaeochromocytoma cells. J Physiol. 1993 Jul;466:683-706.@@Zhao M, Feng R, Shao D, Liu S, Lei M, Wang H, Sun X, Guo F, Hu H, Kameyama M, Hao L: Mg(2+)-dependent facilitation and inactivation of L-type Ca(2+) channels in guinea pig ventricular myocytes. J Pharmacol Sci. 2015 Nov;129(3):143-9. doi: 10.1016/j.jphs.2015.08.001. Epub 2015 Aug 7.@@Lin CY, Tsai PS, Hung YC, Huang CJ: L-type calcium channels are involved in mediating the anti-inflammatory effects of magnesium sulphate. Br J Anaesth. 2010 Jan;104(1):44-51. doi: 10.1093/bja/aep336."	Approved; Investigational; Vet_approved	Alkaline earth metal sulfates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal sulfates	"Blood Substitutes and Perfusion Solutions; Sensory System Agents; Agents that produce neuromuscular block (indirect); Magnesium Salts; Dermatologicals; Electrolyte Solutions; Tocolytic Agents; Metal cations; Tests for Bile Duct Patency; Miscellaneous Anticonvulsants; Cardiovascular Agents; I.V. Solution Additives; Osmotic Laxatives; Central Nervous System Depressants; Agents causing hyperkalemia; Mineral Supplements; Calcium Channel Blockers; Anesthetics; Membrane Transport Modulators; Alimentary Tract and Metabolism; Laxatives, magnesium containing; Diagnostic Agents; Replacement Preparations; Blood and Blood Forming Organs; Magnesium Compounds; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Sulfur Acids; Peripheral Nervous System Agents; Analgesics; Antiarrhythmic agents; Central Nervous System Agents; Metal divalent cations; Laxatives; Sulfates; Bradycardia-Causing Agents; Sulfur Compounds; Sulfuric Acids; Anticonvulsants; Reproductive Control Agents; Drugs for Constipation"	[Mg++].[O-]S([O-])(=O)=O					6487	46508411	D01108	PA450302		DAP000201	Magnesium_sulfate	CHEMBL2021423	1311625
DB00654	Latanoprost	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist	14646172; 25328381; 8922563	"Nakajima T, Matsugi T, Goto W, Kageyama M, Mori N, Matsumura Y, Hara H: New fluoroprostaglandin F(2alpha) derivatives with prostanoid FP-receptor agonistic activity as potent ocular-hypotensive agents. Biol Pharm Bull. 2003 Dec;26(12):1691-5.@@Alm A: Latanoprost in the treatment of glaucoma. Clin Ophthalmol. 2014 Sep 26;8:1967-85. doi: 10.2147/OPTH.S59162. eCollection 2014.@@Patel SS, Spencer CM: Latanoprost. A review of its pharmacological properties, clinical efficacy and tolerability in the management of primary open-angle glaucoma and ocular hypertension. Drugs Aging. 1996 Nov;9(5):363-78. doi: 10.2165/00002512-199609050-00007."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Prostaglandins F, Synthetic; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Eicosanoids; Antiglaucoma Preparations and Miotics; Pharmaceutical Solutions; Fatty Acids; Biological Factors; Lipids; Prostaglandins, Synthetic; Compounds used in a research, industrial, or household setting; Solutions; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Ophthalmologicals; Prostaglandins; Autacoids; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids, Unsaturated; Ophthalmic Solutions; Sensory Organs"	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1					11458	46506279	D00356	PA164774763		DAP001216	Latanoprost	CHEMBL1051	43611
DB00655	Estrone	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	12547192; 2011412; 11752352	"Margeat E, Bourdoncle A, Margueron R, Poujol N, Cavailles V, Royer C: Ligands differentially modulate the protein interactions of the human estrogen receptors alpha and beta. J Mol Biol. 2003 Feb 7;326(1):77-92.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism	disease; metabolic		7445	46505916	D00067	PA449512		DAP001020	Estrone	CHEMBL1405	4103
DB00655	Estrone	BE0000792	ESR2	Q92731	ESR2_HUMAN		11518614; 19913605	"Gutendorf B, Westendorf J: Comparison of an array of in vitro assays for the assessment of the estrogenic potential of natural and synthetic estrogens, phytoestrogens and xenoestrogens. Toxicology. 2001 Sep 14;166(1-2):79-89.@@Dang Z: Comparison of relative binding affinities to fish and mammalian estrogen receptors: the regulatory implications. Toxicol Lett. 2010 Feb 15;192(3):298-315. doi: 10.1016/j.toxlet.2009.11.004. Epub 2009 Nov 12."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism	disease; metabolic		7445	46505916	D00067	PA449512		DAP001020	Estrone	CHEMBL1405	4103
DB00655	Estrone	BE0002090	CYP19A1	P11511	CP19A_HUMAN		16039845	"Numazawa M, Ando M, Watari Y, Tominaga T, Hayata Y, Yoshimura A: Structure-activity relationships of 2-, 4-, or 6-substituted estrogens as aromatase inhibitors. J Steroid Biochem Mol Biol. 2005 Jun;96(1):51-8."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Estranes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Androstenedione Metabolism; Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism	disease; metabolic		7445	46505916	D00067	PA449512		DAP001020	Estrone	CHEMBL1405	4103
DB00656	Trazodone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	7659770; 3039120; 10594316; 1365657; 15614572	"Fiorella D, Rabin RA, Winter JC: The role of the 5-HT2A and 5-HT2C receptors in the stimulus effects of m-chlorophenylpiperazine. Psychopharmacology (Berl). 1995 May;119(2):222-30.@@Conn PJ, Sanders-Bush E: Relative efficacies of piperazines at the phosphoinositide hydrolysis-linked serotonergic (5-HT-2 and 5-HT-1c) receptors. J Pharmacol Exp Ther. 1987 Aug;242(2):552-7.@@Pazzagli M, Giovannini MG, Pepeu G: Trazodone increases extracellular serotonin levels in the frontal cortex of rats. Eur J Pharmacol. 1999 Nov 3;383(3):249-57. doi: 10.1016/s0014-2999(99)00644-5.@@Marek GJ, McDougle CJ, Price LH, Seiden LS: A comparison of trazodone and fluoxetine: implications for a serotonergic mechanism of antidepressant action. Psychopharmacology (Berl). 1992;109(1-2):2-11.@@Balsara JJ, Jadhav SA, Gaonkar RK, Gaikwad RV, Jadhav JH: Effects of the antidepressant trazodone, a 5-HT 2A/2C receptor antagonist, on dopamine-dependent behaviors in rats. Psychopharmacology (Berl). 2005 May;179(3):597-605. doi: 10.1007/s00213-004-2095-0. Epub 2004 Dec 22."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1					11748	46506648	D08626	PA451744		DAP000104	Trazodone	CHEMBL621	10737
DB00656	Trazodone	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9537821; 20095366	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Stahl SM: Mechanism of action of trazodone: a multifunctional drug. CNS Spectr. 2009 Oct;14(10):536-46."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1					11748	46506648	D08626	PA451744		DAP000104	Trazodone	CHEMBL621	10737
DB00656	Trazodone	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	6086881; 1353628	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Noguchi S, Inukai T, Kuno T, Tanaka C: The suppression of olfactory bulbectomy-induced muricide by antidepressants and antihistamines via histamine H1 receptor blocking. Physiol Behav. 1992 Jun;51(6):1123-7."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1					11748	46506648	D08626	PA451744		DAP000104	Trazodone	CHEMBL621	10737
DB00656	Trazodone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7855217; 30776014	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ashford JW: Treatment of Alzheimer's Disease: Trazodone, Sleep, Serotonin, Norepinephrine, and Future Directions. J Alzheimers Dis. 2019;67(3):923-930. doi: 10.3233/JAD-181106."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Psychoanaleptics; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Pyridones; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1					11748	46506648	D08626	PA451744		DAP000104	Trazodone	CHEMBL621	10737
DB00657	Mecamylamine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 11752352; 19778551; 12080428	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Struthers AM, Wilkinson JL, Dwoskin LP, Crooks PA, Bevins RA: Mecamylamine, dihydro-beta-erythroidine, and dextromethorphan block conditioned responding evoked by the conditional stimulus effects of nicotine. Pharmacol Biochem Behav. 2009 Dec;94(2):319-28. doi: 10.1016/j.pbb.2009.09.012. Epub 2009 Sep 22.@@Shytle RD, Penny E, Silver AA, Goldman J, Sanberg PR: Mecamylamine (Inversine): an old antihypertensive with new research directions. J Hum Hypertens. 2002 Jul;16(7):453-7."	Approved; Investigational	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Agents that produce neuromuscular block (indirect); Nicotinic Antagonists; Secondary and Tertiary Amines; Antihypertensive Agents; Cholinergic Agents; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Anticholinergic Agents; Decreased Autonomic Ganglionic Activity; Peripheral Nervous System Agents; Norbornanes; Antiadrenergic Agents, Ganglion-Blocking; Neurotransmitter Agents; Ganglion Blockers"	CNC1(C)C2CCC(C2)C1(C)C						46508607		PA450334		DAP000027	Mecamylamine	CHEMBL267936	6673
DB00657	Mecamylamine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		10082212	"Briggs CA, McKenna DG, Monteggia LM, Touma E, Roch JM, Arneric SP, Gopalakrishnan M, Sullivan JP: Gain of function mutation of the alpha7 nicotinic receptor: distinct pharmacology of the human alpha7V274T variant. Eur J Pharmacol. 1999 Feb 5;366(2-3):301-8."	Approved; Investigational	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Agents that produce neuromuscular block (indirect); Nicotinic Antagonists; Secondary and Tertiary Amines; Antihypertensive Agents; Cholinergic Agents; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Anticholinergic Agents; Decreased Autonomic Ganglionic Activity; Peripheral Nervous System Agents; Norbornanes; Antiadrenergic Agents, Ganglion-Blocking; Neurotransmitter Agents; Ganglion Blockers"	CNC1(C)C2CCC(C2)C1(C)C						46508607		PA450334		DAP000027	Mecamylamine	CHEMBL267936	6673
DB00657	Mecamylamine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved; Investigational	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Agents that produce neuromuscular block (indirect); Nicotinic Antagonists; Secondary and Tertiary Amines; Antihypertensive Agents; Cholinergic Agents; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Anticholinergic Agents; Decreased Autonomic Ganglionic Activity; Peripheral Nervous System Agents; Norbornanes; Antiadrenergic Agents, Ganglion-Blocking; Neurotransmitter Agents; Ganglion Blockers"	CNC1(C)C2CCC(C2)C1(C)C						46508607		PA450334		DAP000027	Mecamylamine	CHEMBL267936	6673
DB00657	Mecamylamine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved; Investigational	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Agents that produce neuromuscular block (indirect); Nicotinic Antagonists; Secondary and Tertiary Amines; Antihypertensive Agents; Cholinergic Agents; Autonomic Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Anticholinergic Agents; Decreased Autonomic Ganglionic Activity; Peripheral Nervous System Agents; Norbornanes; Antiadrenergic Agents, Ganglion-Blocking; Neurotransmitter Agents; Ganglion Blockers"	CNC1(C)C2CCC(C2)C1(C)C						46508607		PA450334		DAP000027	Mecamylamine	CHEMBL267936	6673
DB00659	Acamprosate	BE0001192	GRM5	P41594	GRM5_HUMAN	antagonist	15963001; 18377703	"De Witte P, Littleton J, Parot P, Koob G: Neuroprotective and abstinence-promoting effects of acamprosate: elucidating the mechanism of action. CNS Drugs. 2005;19(6):517-37.@@Blednov YA, Harris RA: Metabotropic glutamate receptor 5 (mGluR5) regulation of ethanol sedation, dependence and consumption: relationship to acamprosate actions. Int J Neuropsychopharmacol. 2008 Sep;11(6):775-93. doi: 10.1017/S1461145708008584. Epub 2008 Apr 1."	Approved; Investigational	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Drugs Used in Addictive Disorders; Hydrocarbons, Acyclic; Sulfur Acids; Drugs Used in Alcohol Dependence; Central Nervous System Agents; OAT3/SLC22A8 Substrates; Nervous System; Sulfur Compounds; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Miscellaneous Central Nervous System Agents; Alcohol Deterrents"	CC(=O)NCCCS(O)(=O)=O					20124	46506657	D07058	PA10344		DAP000857	Acamprosate	CHEMBL1201293	82819
DB00659	Acamprosate	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	inhibitor	23278595; 9514305	"Kalk NJ, Lingford-Hughes AR: The clinical pharmacology of acamprosate. Br J Clin Pharmacol. 2014 Feb;77(2):315-23. doi: 10.1111/bcp.12070.@@Berton F, Francesconi WG, Madamba SG, Zieglgansberger W, Siggins GR: Acamprosate enhances N-methyl-D-apartate receptor-mediated neurotransmission but inhibits presynaptic GABA(B) receptors in nucleus accumbens neurons. Alcohol Clin Exp Res. 1998 Feb;22(1):183-91."	Approved; Investigational	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Drugs Used in Addictive Disorders; Hydrocarbons, Acyclic; Sulfur Acids; Drugs Used in Alcohol Dependence; Central Nervous System Agents; OAT3/SLC22A8 Substrates; Nervous System; Sulfur Compounds; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Miscellaneous Central Nervous System Agents; Alcohol Deterrents"	CC(=O)NCCCS(O)(=O)=O					20124	46506657	D07058	PA10344		DAP000857	Acamprosate	CHEMBL1201293	82819
DB00661	Verapamil	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	15286207; 9846638; 15880143; 19125880	"Dilmac N, Hilliard N, Hockerman GH: Molecular determinants of frequency dependence and Ca2+ potentiation of verapamil block in the pore region of Cav1.2. Mol Pharmacol. 2004 Nov;66(5):1236-47. Epub 2004 Jul 30.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Patel MK, Clunn GF, Lymn JS, Austin O, Hughes AD: Effect of serum withdrawal on the contribution of L-type calcium channels (CaV1.2) to intracellular Ca2+ responses and chemotaxis in cultured human vascular smooth muscle cells. Br J Pharmacol. 2005 Jul;145(6):811-7.@@Tfelt-Hansen P, Tfelt-Hansen J: Verapamil for cluster headache. Clinical pharmacology and possible mode of action. Headache. 2009 Jan;49(1):117-25. doi: 10.1111/j.1526-4610.2008.01298.x."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	10385261	"Dobrev D, Milde AS, Andreas K, Ravens U: The effects of verapamil and diltiazem on N-, P- and Q-type calcium channels mediating dopamine release in rat striatum. Br J Pharmacol. 1999 May;127(2):576-82. doi: 10.1038/sj.bjp.0702574."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0000356	CACNA1A	O00555	CAC1A_HUMAN	inhibitor	10385261	"Dobrev D, Milde AS, Andreas K, Ravens U: The effects of verapamil and diltiazem on N-, P- and Q-type calcium channels mediating dopamine release in rat striatum. Br J Pharmacol. 1999 May;127(2):576-82. doi: 10.1038/sj.bjp.0702574."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	16699084; 21149638	"Freeze BS, McNulty MM, Hanck DA: State-dependent verapamil block of the cloned human Ca(v)3.1 T-type Ca(2+) channel. Mol Pharmacol. 2006 Aug;70(2):718-26. Epub 2006 May 12.@@Bergson P, Lipkind G, Lee SP, Duban ME, Hanck DA: Verapamil block of T-type calcium channels. Mol Pharmacol. 2011 Mar;79(3):411-9. doi: 10.1124/mol.110.069492. Epub 2010 Dec 13."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	unknown	9537821; 2940099	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Brown NL, Sirugue O, Worcel M: The effects of some slow channel blocking drugs on high affinity serotonin uptake by rat brain synaptosomes. Eur J Pharmacol. 1986 Apr 9;123(1):161-5."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	9570190	"Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	9570190	"Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inhibitor	18091748	"Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00661	Verapamil	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	16077962	"Asakura T, Imai A, Ohkubo-Uraoka N, Kuroda M, Iidaka Y, Uchida K, Shibasaki T, Ohkawa K: Relationship between expression of drug-resistance factors and drug sensitivity in normal human renal proximal tubular epithelial cells in comparison with renal cell carcinoma. Oncol Rep. 2005 Sep;14(3):601-7."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00663	Flumethasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	17139284; 17016423; 16079279; 20920967	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maier C, Runzler D, Schindelar J, Grabner G, Waldhausl W, Kohler G, Luger A: G-protein-coupled glucocorticoid receptors on the pituitary cell membrane. J Cell Sci. 2005 Aug 1;118(Pt 15):3353-61.@@Labeur M, Holsboer F: Molecular mechanisms of glucocorticoid receptor signaling. Medicina (B Aires). 2010;70(5):457-62."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Steroids; Pregnadienetriols; Hormones; Otologicals; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					7573	46505121	D04208	PA164749388		DAP000814	Flumetasone	CHEMBL1201392	4458
DB00666	Nafarelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist	2137975; 14687742; 14644830; 17097577; 9622415; 7996307; 1830521; 2140979; 2151003; 11752352	"Barbieri RL: Comparison of the pharmacology of nafarelin and danazol. Am J Obstet Gynecol. 1990 Feb;162(2):581-5.@@Suh J, Lee E, Hwang S, Yoon S, Yoon BK, Bae D, Choi D: Dose of GnRH agonist (nafarelin acetate) affects intrafollicular PAPP-A expression in controlled ovarian hyperstimulation cycle. Eur J Obstet Gynecol Reprod Biol. 2004 Jan 15;112(1):65-8.@@Valle RF, Sciarra JJ: Endometriosis: treatment strategies. Ann N Y Acad Sci. 2003 Nov;997:229-39.@@Batzer FR: GnRH analogs: options for endometriosis-associated pain treatment. J Minim Invasive Gynecol. 2006 Nov-Dec;13(6):539-45.@@Hugues JN, Cedrin Durnerin IC: Revisiting gonadotrophin-releasing hormone agonist protocols and management of poor ovarian responses to gonadotrophins. Hum Reprod Update. 1998 Jan-Feb;4(1):83-101.@@Garner C: Uses of GnRH agonists. J Obstet Gynecol Neonatal Nurs. 1994 Sep;23(7):563-70.@@Saltiel E, Garabedian-Ruffalo SM: Pharmacologic management of endometriosis. Clin Pharm. 1991 Jul;10(7):518-31.@@Chrisp P, Goa KL: Nafarelin. A review of its pharmacodynamic and pharmacokinetic properties, and clinical potential in sex hormone-related conditions. Drugs. 1990 Apr;39(4):523-51.@@Letassy NA, Thompson DF, Britton ML, Suda RR Sr: Nafarelin acetate: a gonadotropin-releasing hormone agonist for the treatment of endometriosis. DICP. 1990 Dec;24(12):1204-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Proteins; Fertility Agents; Hormones; Reproductive Control Agents; Agents Causing Muscle Toxicity; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Gonadotropins and Antigonadotropins; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O					7329	46506496		PA164754805		DAP001051	Nafarelin	CHEMBL1201309	28656
DB00668	Epinephrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17603545; 17658513; 20412040; 20857090	"Sanbe A, Tanaka Y, Fujiwara Y, Tsumura H, Yamauchi J, Cotecchia S, Koike K, Tsujimoto G, Tanoue A: Alpha1-adrenoceptors are required for normal male sexual function. Br J Pharmacol. 2007 Oct;152(3):332-40. Epub 2007 Jul 2.@@Tomiyama Y, Kobayashi K, Tadachi M, Kobayashi S, Inada Y, Kobayashi M, Yamazaki Y: Expressions and mechanical functions of alpha1-adrenoceptor subtypes in hamster ureter. Eur J Pharmacol. 2007 Nov 14;573(1-3):201-5. Epub 2007 Jul 6.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Jensen BC, Swigart PM, Montgomery MD, Simpson PC: Functional alpha-1B adrenergic receptors on human epicardial coronary artery endothelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2010 Dec;382(5-6):475-82. doi: 10.1007/s00210-010-0558-x. Epub 2010 Sep 22."	Approved; Vet_approved	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Dental Agents; Epinephrine and similars; OCT1 substrates; OCT2 Substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Local Hemostatics; Antiglaucoma Preparations and Miotics; Bronchodilator Agents; Vasoconstrictor Agents; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Adrenergics, Inhalants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Mydriatics; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Sympathomimetics, Plain; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents"	CNC[C@H](O)C1=CC(O)=C(O)C=C1		"Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Epinephrine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency"	disease; metabolic; drug_action		8921	46509097	D00095	PA449470		DAP000066	Adrenaline	CHEMBL679	3992
DB00668	Epinephrine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	20954794; 19730427; 20412040; 20857090	"Cotecchia S: The alpha1-adrenergic receptors: diversity of signaling networks and regulation. J Recept Signal Transduct Res. 2010 Dec;30(6):410-9. doi: 10.3109/10799893.2010.518152. Epub 2010 Oct 18.@@Shieh JP, Chu CC, Wang JJ, Lin MT: Epinephrine, phenylephrine, and methoxamine induce infiltrative anesthesia via alpha1-adrenoceptors in rats. Acta Pharmacol Sin. 2009 Sep;30(9):1227-36. doi: 10.1038/aps.2009.129.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Jensen BC, Swigart PM, Montgomery MD, Simpson PC: Functional alpha-1B adrenergic receptors on human epicardial coronary artery endothelial cells. Naunyn Schmiedebergs Arch Pharmacol. 2010 Dec;382(5-6):475-82. doi: 10.1007/s00210-010-0558-x. Epub 2010 Sep 22."	Approved; Vet_approved	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Dental Agents; Epinephrine and similars; OCT1 substrates; OCT2 Substrates; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Local Hemostatics; Antiglaucoma Preparations and Miotics; Bronchodilator Agents; Vasoconstrictor Agents; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Adrenergics, Inhalants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Mydriatics; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Sympathomimetics, Plain; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents"	CNC[C@H](O)C1=CC(O)=C(O)C=C1		"Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Epinephrine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency"	disease; metabolic; drug_action		8921	46509097	D00095	PA449470		DAP000066	Adrenaline	CHEMBL679	3992
DB00669	Sumatriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11313163; 11641558; 11874390; 12010765; 15554784; 11752352; 10225363; 10454495; 10772044; 18723285; 12110114	"Koran LM, Pallanti S, Quercioli L: Sumatriptan, 5-HT(1D) receptors and obsessive-compulsive disorder. Eur Neuropsychopharmacol. 2001 Apr;11(2):169-72.@@Baxter LR Jr: Brain mediation of Anolis social dominance displays. III. Differential forebrain 3H-sumatriptan binding in dominant vs. submissive males. Brain Behav Evol. 2001 Apr;57(4):202-13.@@Razzaque Z, Pickard JD, Ma QP, Shaw D, Morrison K, Wang T, Longmore J: 5-HT1B-receptors and vascular reactivity in human isolated blood vessels: assessment of the potential craniovascular selectivity of sumatriptan. Br J Clin Pharmacol. 2002 Mar;53(3):266-74.@@Akin D, Gurdal H: Involvement of 5-HT1B and 5-HT1D receptors in sumatriptan mediated vasocontractile response in rabbit common carotid artery. Br J Pharmacol. 2002 May;136(2):177-82.@@Zohar J, Kennedy JL, Hollander E, Koran LM: Serotonin-1D hypothesis of obsessive-compulsive disorder: an update. J Clin Psychiatry. 2004;65 Suppl 14:18-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Mitsikostas DD, Sanchez del Rio M, Moskowitz MA, Waeber C: Both 5-HT1B and 5-HT1F receptors modulate c-fos expression within rat trigeminal nucleus caudalis. Eur J Pharmacol. 1999 Mar 26;369(3):271-7.@@Cohen ML, Schenck KW, Hemrick-Luecke SH: 5-Hydroxytryptamine(1A) receptor activation enhances norepinephrine release from nerves in the rabbit saphenous vein. J Pharmacol Exp Ther. 1999 Sep;290(3):1195-201.@@Roy A, Brand NJ, Yacoub MH: Expression of 5-hydroxytryptamine receptor subtype messenger RNA in interstitial cells from human heart valves. J Heart Valve Dis. 2000 Mar;9(2):256-60; discussion 260-1.@@Nikai T, Basbaum AI, Ahn AH: Profound reduction of somatic and visceral pain in mice by intrathecal administration of the anti-migraine drug, sumatriptan. Pain. 2008 Oct 31;139(3):533-40. doi: 10.1016/j.pain.2008.06.002. Epub 2008 Aug 23.@@Mitsikostas DD, Sanchez del Rio M, Waeber C: 5-Hydroxytryptamine(1B/1D) and 5-hydroxytryptamine1F receptors inhibit capsaicin-induced c-fos immunoreactivity within mouse trigeminal nucleus caudalis. Cephalalgia. 2002 Jun;22(5):384-94."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; OATP1B1/SLCO1B1 Substrates; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Selective Serotonin Agonists; Vasoconstrictor Agents; Triptans; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; Serotonin Modulators; BCRP/ABCG2 Substrates; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Tryptamines; Nervous System; Sulfur Compounds"	CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1					11323	46506520	D00451	PA451566		DNC001649	Sumatriptan	CHEMBL128	37418
DB00669	Sumatriptan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	10073743; 10367177; 11015308; 15178373; 11752352; 10225363; 18723285; 12110114	"Razzaque Z, Heald MA, Pickard JD, Maskell L, Beer MS, Hill RG, Longmore J: Vasoconstriction in human isolated middle meningeal arteries: determining the contribution of 5-HT1B- and 5-HT1F-receptor activation. Br J Clin Pharmacol. 1999 Jan;47(1):75-82.@@Pauwels PJ, John GW: Present and future of 5-HT receptor agonists as antimigraine drugs. Clin Neuropharmacol. 1999 May-Jun;22(3):123-36.@@Cohen ML, Schenck K: Contractile responses to sumatriptan and ergotamine in the rabbit saphenous vein: effect of selective 5-HT(1F) receptor agonists and PGF(2alpha). Br J Pharmacol. 2000 Oct;131(3):562-8.@@Janssen P, Tack J, Sifrim D, Meulemans AL, Lefebvre RA: Influence of 5-HT1 receptor agonists on feline stomach relaxation. Eur J Pharmacol. 2004 May 25;492(2-3):259-67.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Mitsikostas DD, Sanchez del Rio M, Moskowitz MA, Waeber C: Both 5-HT1B and 5-HT1F receptors modulate c-fos expression within rat trigeminal nucleus caudalis. Eur J Pharmacol. 1999 Mar 26;369(3):271-7.@@Nikai T, Basbaum AI, Ahn AH: Profound reduction of somatic and visceral pain in mice by intrathecal administration of the anti-migraine drug, sumatriptan. Pain. 2008 Oct 31;139(3):533-40. doi: 10.1016/j.pain.2008.06.002. Epub 2008 Aug 23.@@Mitsikostas DD, Sanchez del Rio M, Waeber C: 5-Hydroxytryptamine(1B/1D) and 5-hydroxytryptamine1F receptors inhibit capsaicin-induced c-fos immunoreactivity within mouse trigeminal nucleus caudalis. Cephalalgia. 2002 Jun;22(5):384-94."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; OATP1B1/SLCO1B1 Substrates; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Selective Serotonin Agonists; Vasoconstrictor Agents; Triptans; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; Serotonin Modulators; BCRP/ABCG2 Substrates; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Tryptamines; Nervous System; Sulfur Compounds"	CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1					11323	46506520	D00451	PA451566		DNC001649	Sumatriptan	CHEMBL128	37418
DB00672	Chlorpropamide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	18220763	"Mizuno CS, Chittiboyina AG, Kurtz TW, Pershadsingh HA, Avery MA: Type 2 diabetes and oral antihyperglycemic drugs. Curr Med Chem. 2008;15(1):61-74."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Amides; OAT1/SLC22A6 inhibitors; Benzene Derivatives; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Sulfonylureas; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1					9406	46506402	D00271	PA448966		DAP000923	Chlorpropamide	CHEMBL498	2404
DB00673	Aprepitant	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	11752352; 12590540; 17643344; 12784346; 12227806; 15121485	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Brands KM, Payack JF, Rosen JD, Nelson TD, Candelario A, Huffman MA, Zhao MM, Li J, Craig B, Song ZJ, Tschaen DM, Hansen K, Devine PN, Pye PJ, Rossen K, Dormer PG, Reamer RA, Welch CJ, Mathre DJ, Tsou NN, McNamara JM, Reider PJ: Efficient synthesis of NK(1) receptor antagonist aprepitant using a crystallization-induced diastereoselective transformation. J Am Chem Soc. 2003 Feb 26;125(8):2129-35.@@Rodgers J, Bradley B, Kennedy PG: Combination chemotherapy with a substance P receptor antagonist (aprepitant) and melarsoprol in a mouse model of human African trypanosomiasis. Parasitol Int. 2007 Dec;56(4):321-4. Epub 2007 Jun 29.@@Poli-Bigelli S, Rodrigues-Pereira J, Carides AD, Julie Ma G, Eldridge K, Hipple A, Evans JK, Horgan KJ, Lawson F: Addition of the neurokinin 1 receptor antagonist aprepitant to standard antiemetic therapy improves control of chemotherapy-induced nausea and vomiting. Results from a randomized, double-blind, placebo-controlled trial in Latin America. Cancer. 2003 Jun 15;97(12):3090-8.@@Zhao MM, McNamara JM, Ho GJ, Emerson KM, Song ZJ, Tschaen DM, Brands KM, Dolling UH, Grabowski EJ, Reider PJ, Cottrell IF, Ashwood MS, Bishop BC: Practical asymmetric synthesis of aprepitant, a potent human NK-1 receptor antagonist, via a stereoselective Lewis acid-catalyzed trans acetalization reaction. J Org Chem. 2002 Sep 20;67(19):6743-7.@@Bergstrom M, Hargreaves RJ, Burns HD, Goldberg MR, Sciberras D, Reines SA, Petty KJ, Ogren M, Antoni G, Langstrom B, Eskola O, Scheinin M, Solin O, Majumdar AK, Constanzer ML, Battisti WP, Bradstreet TE, Gargano C, Hietala J: Human positron emission tomography studies of brain neurokinin 1 receptor occupancy by aprepitant. Biol Psychiatry. 2004 May 15;55(10):1007-12."	Approved; Investigational	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Aprepitant and Prodrugs; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Neurokinin-1 Receptor Antagonists; Oxazines; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Morpholines; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Neurokinin 1 Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cytochrome P-450 CYP3A7 Inhibitors; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates	C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F					20156	46505211	D02968	PA164747039		DNC000952	Aprepitant	CHEMBL1471	358255
DB00674	Galantamine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	allosteric modulator	10971048; 12481195; 12177686; 21062106; 11172080	"Lilienfeld S, Parys W: Galantamine: additional benefits to patients with Alzheimer's disease. Dement Geriatr Cogn Disord. 2000 Sep;11 Suppl 1:19-27.@@Woodruff-Pak DS, Lander C, Geerts H: Nicotinic cholinergic modulation: galantamine as a prototype. CNS Drug Rev. 2002 Winter;8(4):405-26.@@Lilienfeld S: Galantamine--a novel cholinergic drug with a unique dual mode of action for the treatment of patients with Alzheimer's disease. CNS Drug Rev. 2002 Summer;8(2):159-76.@@Ludwig J, Hoffle-Maas A, Samochocki M, Luttmann E, Albuquerque EX, Fels G, Maelicke A: Localization by site-directed mutagenesis of a galantamine binding site on alpha7 nicotinic acetylcholine receptor extracellular domain. J Recept Signal Transduct Res. 2010 Dec;30(6):469-83. doi: 10.3109/10799893.2010.505239. Epub 2010 Nov 9.@@Woodruff-Pak DS, Vogel RW 3rd, Wenk GL: Galantamine: effect on nicotinic receptor binding, acetylcholinesterase inhibition, and learning. Proc Natl Acad Sci U S A. 2001 Feb 13;98(4):2089-94. Epub 2001 Feb 6."	Approved	Galanthamine-type amaryllidaceae alkaloids	Organic compounds; Alkaloids and derivatives; Amaryllidaceae alkaloids; Galanthamine-type amaryllidaceae alkaloids	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Autonomic Agents; Cytochrome P-450 Substrates; Alkaloids; Psychoanaleptics; P-glycoprotein inhibitors; Parasympathomimetics; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Amaryllidaceae Alkaloids; Peripheral Nervous System Agents; Nootropic Agents; Benzazepines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System"	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3					12329	46505659	D04292	PA449726		DAP000559	Galantamine	CHEMBL659	4637
DB00674	Galantamine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	17159811; 11888344; 19811027; 12177686	"Svoboda Z, Kvetina J, Kunesova G, Herink J, Bajgar J, Bartosova L, Zivny P, Palicka V: Effect of galantamine on acetylcholinesterase and butyrylcholinesterase activities in the presence of L-carnitine in rat selected brain and peripheral tissues. Neuro Endocrinol Lett. 2006 Dec;27 Suppl 2:183-6.@@Giacobini E: Selective inhibitors of butyrylcholinesterase: a valid alternative for therapy of Alzheimer's disease? Drugs Aging. 2001;18(12):891-8.@@Wilkinson DG: Galantamine: a new treatment for Alzheimer's disease. Expert Rev Neurother. 2001 Nov;1(2):153-9. doi: 10.1586/14737175.1.2.153.@@Lilienfeld S: Galantamine--a novel cholinergic drug with a unique dual mode of action for the treatment of patients with Alzheimer's disease. CNS Drug Rev. 2002 Summer;8(2):159-76."	Approved	Galanthamine-type amaryllidaceae alkaloids	Organic compounds; Alkaloids and derivatives; Amaryllidaceae alkaloids; Galanthamine-type amaryllidaceae alkaloids	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Autonomic Agents; Cytochrome P-450 Substrates; Alkaloids; Psychoanaleptics; P-glycoprotein inhibitors; Parasympathomimetics; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Amaryllidaceae Alkaloids; Peripheral Nervous System Agents; Nootropic Agents; Benzazepines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System"	[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3					12329	46505659	D04292	PA449726		DAP000559	Galantamine	CHEMBL659	4637
DB00675	Tamoxifen	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	11752352; 2011412; 11906441; 20512796	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Fabian CJ, Kimler BF: Chemoprevention for high-risk women: tamoxifen and beyond. Breast J. 2001 Sep-Oct;7(5):311-20.@@Cyrus K, Wehenkel M, Choi EY, Lee H, Swanson H, Kim KB: Jostling for position: optimizing linker location in the design of estrogen receptor-targeting PROTACs. ChemMedChem. 2010 Jul 5;5(7):979-85. doi: 10.1002/cmdc.201000146."	Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway	drug_metabolism; drug_action		2137	46505515	D08559	PA451581		DAP000108	Tamoxifen	CHEMBL83	10324
DB00675	Tamoxifen	BE0000792	ESR2	Q92731	ESR2_HUMAN	antagonist	11752352; 16010412; 16326830; 16822624; 17158759; 17404078; 2011412; 20827267	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chen B, Gajdos C, Dardes R, Kidwai N, Johnston SR, Dowsett M, Jordan VC: Potential of endogenous estrogen receptor beta to influence the selective ER modulator ERbeta complex. Int J Oncol. 2005 Aug;27(2):327-35.@@Horner-Glister E, Maleki-Dizaji M, Guerin CJ, Johnson SM, Styles J, White IN: Influence of oestradiol and tamoxifen on oestrogen receptors-alpha and -beta protein degradation and non-genomic signalling pathways in uterine and breast carcinoma cells. J Mol Endocrinol. 2005 Dec;35(3):421-32.@@Girault I, Bieche I, Lidereau R: Role of estrogen receptor alpha transcriptional coregulators in tamoxifen resistance in breast cancer. Maturitas. 2006 Jul 20;54(4):342-51. Epub 2006 Jul 5.@@Mc Ilroy M, Fleming FJ, Buggy Y, Hill AD, Young LS: Tamoxifen-induced ER-alpha-SRC-3 interaction in HER2 positive human breast cancer; a possible mechanism for ER isoform specific recurrence. Endocr Relat Cancer. 2006 Dec;13(4):1135-45.@@Gruvberger-Saal SK, Bendahl PO, Saal LH, Laakso M, Hegardt C, Eden P, Peterson C, Malmstrom P, Isola J, Borg A, Ferno M: Estrogen receptor beta expression is associated with tamoxifen response in ERalpha-negative breast carcinoma. Clin Cancer Res. 2007 Apr 1;13(7):1987-94.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Hayes DF, Skaar TC, Rae JM, Henry NL, Nguyen AT, Stearns V, Li L, Philips S, Desta Z, Flockhart DA: Estrogen receptor genotypes, menopausal status, and the effects of tamoxifen on lipid levels: revised and updated results. Clin Pharmacol Ther. 2010 Nov;88(5):626-9. doi: 10.1038/clpt.2010.143. Epub 2010  Sep 8."	Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway	drug_metabolism; drug_action		2137	46505515	D08559	PA451581		DAP000108	Tamoxifen	CHEMBL83	10324
DB00675	Tamoxifen	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614; 18839173	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28.@@Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7."	Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway	drug_metabolism; drug_action		2137	46505515	D08559	PA451581		DAP000108	Tamoxifen	CHEMBL83	10324
DB00675	Tamoxifen	BE0002088	ESRRG	P62508	ERR3_HUMAN		16889744	"Gowda K, Marks BD, Zielinski TK, Ozers MS: Development of a coactivator displacement assay for the orphan receptor estrogen-related receptor-gamma using time-resolved fluorescence resonance energy transfer. Anal Biochem. 2006 Oct 1;357(1):105-15. Epub 2006 Jul 10."	Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway	drug_metabolism; drug_action		2137	46505515	D08559	PA451581		DAP000108	Tamoxifen	CHEMBL83	10324
DB00675	Tamoxifen	BE0003790	MAPK8	P45983	MK08_HUMAN	modulator	27083550	"Radin DP, Patel P: Delineating the molecular mechanisms of tamoxifen's oncolytic actions in estrogen receptor-negative cancers. Eur J Pharmacol. 2016 Jun 15;781:173-80. doi: 10.1016/j.ejphar.2016.04.017. Epub 2016 Apr 12."	Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; UGT2B7 substrates; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Hormone Antagonists; UGT2B17 substrates; Estrogen Receptor Modulators; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Estrogens; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Endocrine Therapy; UGT2B7 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Estrogen Agonist/Antagonist; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1		Tamoxifen Metabolism Pathway; Tamoxifen Action Pathway	drug_metabolism; drug_action		2137	46505515	D08559	PA451581		DAP000108	Tamoxifen	CHEMBL83	10324
DB00677	Isoflurophate	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	11405252; 12459190; 1511344; 1776688; 2361169	"Kamata R, Saito S, Suzuki T, Takewaki T, Kobayashi H: Correlation of binding sites for diisopropyl phosphorofluoridate with cholinesterase and neuropathy target esterase in membrane and cytosol preparations from hen. Neurotoxicology. 2001 Apr;22(2):203-14.@@Acey RA, Bailey S, Healy P, Jo C, Unger TF, Hudson RA: A butyrylcholinesterase in the early development of the brine shrimp (Artemia salina) larvae: a target for phthalate ester embryotoxicity? Biochem Biophys Res Commun. 2002 Dec 13;299(4):659-62.@@Pittel Z, Cohen S, Fisher A, Heldman E: Differential long-term effect of AF64A on [3H]ACh synthesis and release in rat hippocampal synaptosomes. Brain Res. 1992 Jul 17;586(1):148-51.@@Miller RB, Blank CL: Determination of serum cholinesterase activity by liquid chromatography with electrochemical detection. Anal Biochem. 1991 Aug 1;196(2):377-84.@@Kelly SS, Ferry CB, Bamforth JP: The effects of anticholinesterases on the latencies of action potentials in mouse skeletal muscles. Br J Pharmacol. 1990 Apr;99(4):721-6."	Approved; Investigational; Withdrawn	Phosphate esters	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Protease Inhibitors; Organophosphonates; Enzyme Inhibitors; Organophosphorus Compounds; Neurotransmitter Agents; Cholinesterase Inhibitors; Cholinergic Agents; Organofluorophosphonates; Ophthalmics	CC(C)OP(F)(=O)OC(C)C						46504499	D00043	PA164748933		DAP000896	Diisopropyl_fluorophosphate	CHEMBL1025	6027
DB00679	Thioridazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	1978482; 7689973; 1352051; 16434058; 9292626	"Seeman P: Atypical neuroleptics: role of multiple receptors, endogenous dopamine, and receptor linkage. Acta Psychiatr Scand Suppl. 1990;358:14-20.@@Assie MB, Sleight AJ, Koek W: Biphasic displacement of [3H]YM-09151-2 binding in the rat brain by thioridazine, risperidone and clozapine, but not by other antipsychotics. Eur J Pharmacol. 1993 Jun 24;237(2-3):183-9.@@Dimpfel W, Spuler M, Wessel K: Different neuroleptics show common dose and time dependent effects in quantitative field potential analysis in freely moving rats. Psychopharmacology (Berl). 1992;107(2-3):195-202.@@Barth VN, Chernet E, Martin LJ, Need AB, Rash KS, Morin M, Phebus LA: Comparison of rat dopamine D2 receptor occupancy for a series of antipsychotic drugs measured using radiolabeled or nonlabeled raclopride tracer. Life Sci. 2006 May 22;78(26):3007-12. Epub 2006 Jan 24.@@Carey GJ, Bergman J: Discriminative-stimulus effects of clozapine in squirrel monkeys: comparison with conventional and novel antipsychotic drugs. Psychopharmacology (Berl). 1997 Aug;132(3):261-9."	Approved; Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Phenothiazines With Piperidine Structure; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1					7964	46509070	D00373	PA451666		DAP000476	Thioridazine	CHEMBL479	10502
DB00679	Thioridazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7691623; 15695070	"Sleight AJ, Koek W, Bigg DC: Binding of antipsychotic drugs at alpha 1A- and alpha 1B-adrenoceptors: risperidone is selective for the alpha 1B-adrenoceptors. Eur J Pharmacol. 1993 Jul 20;238(2-3):407-10.@@Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Approved; Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Phenothiazines With Piperidine Structure; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1					7964	46509070	D00373	PA451666		DAP000476	Thioridazine	CHEMBL479	10502
DB00679	Thioridazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Approved; Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Phenothiazines With Piperidine Structure; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1					7964	46509070	D00373	PA451666		DAP000476	Thioridazine	CHEMBL479	10502
DB00680	Moricizine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 12402511; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ahmmed GU, Hisatome I, Kurata Y, Makita N, Tanaka Y, Tanaka H, Okamura T, Sonoyama K, Furuse Y, Kato M, Yamamoto Y, Ogura K, Shimoyama M, Miake J, Sasaki N, Ogino K, Igawa O, Yoshida A, Shigemasa C: Analysis of moricizine block of sodium current in isolated guinea-pig atrial myocytes. Atrioventricular difference of moricizine block. Vascul Pharmacol. 2002 Mar;38(3):131-41.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Sodium Channel Blockers; Phenothiazines; QTc Prolonging Agents; Antiarrhythmics, Class Ic; Antipsychotic Agents; Cardiovascular Agents; Central Nervous System Depressants; Oxazines; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Morpholines; Neurotoxic agents; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Sulfur Compounds"	CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1						46509072	D05077	PA164747738		DAP000510	Moracizine	CHEMBL1075	40169
DB00682	Warfarin	BE0000956	NR1I2	O75469	NR1I2_HUMAN		20735727	"Rulcova A, Prokopova I, Krausova L, Bitman M, Vrzal R, Dvorak Z, Blahos J, Pavek P: Stereoselective interactions of warfarin enantiomers with the pregnane X nuclear receptor in gene regulation of major drug-metabolizing cytochrome P450 enzymes. J Thromb Haemost. 2010 Dec;8(12):2708-17. doi: 10.1111/j.1538-7836.2010.04036.x."	Approved	4-hydroxycoumarins	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins	"Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Pesticides; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Pyrans; Coumarins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Rodenticides; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Vitamin K Antagonists; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Agrochemicals; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Toxic Actions; Vitamin K Inhibitors; Cytochrome P-450 CYP1A2 Substrates; 4-Hydroxycoumarins"	CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2		Warfarin Action Pathway	drug_action		9054	46504711		PA451906		DAP000770	Warfarin	CHEMBL1464	11289
DB00683	Midazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"Imidazo[1,5-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12					11188	46507611	D00550	PA450496		DAP000241	Midazolam	CHEMBL655	6960
DB00683	Midazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit	"Imidazo[1,5-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12					11188	46507611	D00550	PA450496		DAP000241	Midazolam	CHEMBL655	6960
DB00686	Pentosan polysulfate	BE0001015	FGF2	P09038	FGF2_HUMAN	antagonist	10667230; 12375053; 7692072; 8738610; 17071728	"Zugmaier G, Favoni R, Jaeger R, Rosen N, Knabbe C: Polysulfated heparinoids selectively inactivate heparin-binding angiogenesis factors. Ann N Y Acad Sci. 1999;886:243-8.@@Mucha S, Melen-Mucha G, Stepien T, Godlewski A, Stepien H: Effects of pentosan polysulfate sodium on the estrogen-induced pituitary prolactinoma in Fischer 344 rats. Oncol Rep. 2002 Nov-Dec;9(6):1385-9.@@Pluda JM, Shay LE, Foli A, Tannenbaum S, Cohen PJ, Goldspiel BR, Adamo D, Cooper MR, Broder S, Yarchoan R: Administration of pentosan polysulfate to patients with human immunodeficiency virus-associated Kaposi's sarcoma. J Natl Cancer Inst. 1993 Oct 6;85(19):1585-92.@@McLeskey SW, Zhang L, Kharbanda S, Kurebayashi J, Lippman ME, Dickson RB, Kern FG: Fibroblast growth factor overexpressing breast carcinoma cells as models of angiogenesis and metastasis. Breast Cancer Res Treat. 1996;39(1):103-17.@@Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27."	Approved	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glycosaminoglycans; Miscellaneous Therapeutic Agents; Polysaccharides; Carbohydrates; Anticoagulants; Drugs causing inadvertant photosensitivity; Hematologic Agents; Photosensitizing Agents; Sulfur Compounds; Antivaricose Therapy; Urologicals; Genito Urinary System and Sex Hormones; Sulfur Acids; Sulfuric Acids; Vasoprotectives	O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O					716	46509187		PA164774806		DAP001025	Pentosan_polysulfate	CHEMBL4073796	155046
DB00686	Pentosan polysulfate	BE0000689	FGF1	P05230	FGF1_HUMAN	antagonist	8867461; 8946244; 17071728	"Pascu C, Ljungh A, Wadstrom T: Staphylococci bind heparin-binding host growth factors. Curr Microbiol. 1996 Apr;32(4):201-7.@@Zenjari C, Boilly-Marer Y, Desbiens X, Oudghir M, Hondermarck H, Boilly B: Experimental evidence for FGF-1 control of blastema cell proliferation during limb regeneration of the amphibian Pleurodeles waltl. Int J Dev Biol. 1996 Oct;40(5):965-71.@@Jerebtsova M, Wong E, Przygodzki R, Tang P, Ray PE: A novel role of fibroblast growth factor-2 and pentosan polysulfate in the pathogenesis of intestinal bleeding in mice. Am J Physiol Heart Circ Physiol. 2007 Feb;292(2):H743-50. Epub 2006 Oct 27."	Approved	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glycosaminoglycans; Miscellaneous Therapeutic Agents; Polysaccharides; Carbohydrates; Anticoagulants; Drugs causing inadvertant photosensitivity; Hematologic Agents; Photosensitizing Agents; Sulfur Compounds; Antivaricose Therapy; Urologicals; Genito Urinary System and Sex Hormones; Sulfur Acids; Sulfuric Acids; Vasoprotectives	O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O					716	46509187		PA164774806		DAP001025	Pentosan_polysulfate	CHEMBL4073796	155046
DB00686	Pentosan polysulfate	BE0000326	FGF4	P08620	FGF4_HUMAN	inhibitor	1279186; 8738610; 1708834	"Zugmaier G, Lippman ME, Wellstein A: Inhibition by pentosan polysulfate (PPS) of heparin-binding growth factors released from tumor cells and blockage by PPS of tumor growth in animals. J Natl Cancer Inst. 1992 Nov 18;84(22):1716-24.@@McLeskey SW, Zhang L, Kharbanda S, Kurebayashi J, Lippman ME, Dickson RB, Kern FG: Fibroblast growth factor overexpressing breast carcinoma cells as models of angiogenesis and metastasis. Breast Cancer Res Treat. 1996;39(1):103-17.@@Wellstein A, Zugmaier G, Califano JA 3rd, Kern F, Paik S, Lippman ME: Tumor growth dependent on Kaposi's sarcoma-derived fibroblast growth factor inhibited by pentosan polysulfate. J Natl Cancer Inst. 1991 May 15;83(10):716-20."	Approved	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glycosaminoglycans; Miscellaneous Therapeutic Agents; Polysaccharides; Carbohydrates; Anticoagulants; Drugs causing inadvertant photosensitivity; Hematologic Agents; Photosensitizing Agents; Sulfur Compounds; Antivaricose Therapy; Urologicals; Genito Urinary System and Sex Hormones; Sulfur Acids; Sulfuric Acids; Vasoprotectives	O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O					716	46509187		PA164774806		DAP001025	Pentosan_polysulfate	CHEMBL4073796	155046
DB00687	Fludrocortisone	BE0000668	NR3C2	P08235	MCR_HUMAN	agonist	907708; 6274900	"Agarwal MK, Coupry F, Philippe M: Physiological activity and receptor binding of 9 alpha fluorohydrocortisone. Biochem Biophys Res Commun. 1977 Sep 23;78(2):747-53. doi: 10.1016/0006-291x(77)90242-x.@@Lan NC, Graham B, Bartter FC, Baxter JD: Binding of steroids to mineralocorticoid receptors: implications for in vivo occupancy by glucocorticoids. J Clin Endocrinol Metab. 1982 Feb;54(2):332-42. doi: 10.1210/jcem-54-2-332."	Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Mineralocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7526	46508616	D07967	PA164743961		DAP001105	Fludrocortisone	CHEMBL1201388	4452
DB00687	Fludrocortisone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	907708; 6274900	"Agarwal MK, Coupry F, Philippe M: Physiological activity and receptor binding of 9 alpha fluorohydrocortisone. Biochem Biophys Res Commun. 1977 Sep 23;78(2):747-53. doi: 10.1016/0006-291x(77)90242-x.@@Lan NC, Graham B, Bartter FC, Baxter JD: Binding of steroids to mineralocorticoid receptors: implications for in vivo occupancy by glucocorticoids. J Clin Endocrinol Metab. 1982 Feb;54(2):332-42. doi: 10.1210/jcem-54-2-332."	Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Mineralocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7526	46508616	D07967	PA164743961		DAP001105	Fludrocortisone	CHEMBL1201388	4452
DB00688	Mycophenolate mofetil	BE0004520	PTS	Q03393	PTPS_HUMAN	inhibitor	15803924; 10878285; 14640931	"Allison AC: Mechanisms of action of mycophenolate mofetil. Lupus. 2005;14 Suppl 1:s2-8.@@Allison AC, Eugui EM: Mycophenolate mofetil and its mechanisms of action. Immunopharmacology. 2000 May;47(2-3):85-118.@@Srinivas TR, Kaplan B, Meier-Kriesche HU: Mycophenolate mofetil in solid-organ transplantation. Expert Opin Pharmacother. 2003 Dec;4(12):2325-45. doi: 10.1517/14656566.4.12.2325 ."	Approved; Investigational	Phthalides	Organic compounds; Organoheterocyclic compounds; Isocoumarans; Isobenzofuranones	"UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Immunologic Factors; Mycophenolic Acid and Prodrugs; Fatty Acids; Drugs that are Mainly Renally Excreted; Antimetabolite Immunosuppressant; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipids; Antibiotics, Antineoplastic; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Anti-Infective Agents; UGT1A9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; IMP Dehydrogenase, antagonists & inhibitors; UGT1A6 substrate; Antibiotics, Antitubercular"	COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C		Mycophenolic Acid Metabolism Pathway	drug_metabolism		118	46505626	D00752	PA450566		DNC000397	Mycophenolic_acid	CHEMBL1456	68149
DB00690	Flurazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F					4015	46508451	D00329	PA449681		DAP000242	Flurazepam	CHEMBL968	4501
DB00690	Flurazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Psycholeptics; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F					4015	46508451	D00329	PA449681		DAP000242	Flurazepam	CHEMBL968	4501
DB00691	Moexipril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 15286086; 7473177; 11929321	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chrysant SG, Chrysant GS: Pharmacological and clinical profile of moexipril: a concise review. J Clin Pharmacol. 2004 Aug;44(8):827-36.@@Edling O, Bao G, Feelisch M, Unger T, Gohlke P: Moexipril, a new angiotensin-converting enzyme (ACE) inhibitor: pharmacological characterization and comparison with enalapril. J Pharmacol Exp Ther. 1995 Nov;275(2):854-63.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Hypotensive Agents; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Protease Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Drugs causing inadvertant photosensitivity; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Isoquinolines"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O		Moexipril Action Pathway; Moexipril Metabolism Pathway	drug_metabolism; drug_action			46508441		PA164769059		DAP000586	Moexipril	CHEMBL1165	30131
DB00694	Daunorubicin	BE0002425	TOP2B	Q02880	TOP2B_HUMAN	inhibitor	6380596; 1963303	"Aubel-Sadron G, Londos-Gagliardi D: Daunorubicin and doxorubicin, anthracycline antibiotics, a physicochemical and biological review. Biochimie. 1984 May;66(5):333-52.@@Zunino F, Capranico G: DNA topoisomerase II as the primary target of anti-tumor anthracyclines. Anticancer Drug Des. 1990 Nov;5(4):307-17."	Approved	Anthracyclines	Organic compounds; Phenylpropanoids and polyketides; Anthracyclines	"Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Topoisomerase Inhibitors; Naphthacenes; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown)"	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O					68	46508433	D07776	PA449212		DNC000517	Daunorubicin	CHEMBL178	3109
DB00695	Furosemide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	10653443; 1092541; 17460608; 11752352; 16914965; 26183401	"Brater DC: Pharmacology of diuretics. Am J Med Sci. 2000 Jan;319(1):38-50.@@Davies DL, Wilson GM: Diuretics: mechanism of action and clinical application. Drugs. 1975;9(3):178-226.@@Vormfelde SV, Sehrt D, Toliat MR, Schirmer M, Meineke I, Tzvetkov M, Nurnberg P, Brockmoller J: Genetic variation in the renal sodium transporters NKCC2, NCC, and ENaC in relation to the effects of loop diuretic drugs. Clin Pharmacol Ther. 2007 Sep;82(3):300-9. Epub 2007 Apr 25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gimenez I: Molecular mechanisms and regulation of furosemide-sensitive Na-K-Cl cotransporters. Curr Opin Nephrol Hypertens. 2006 Sep;15(5):517-23. doi: 10.1097/01.mnh.0000242178.44576.b0.@@Limmer F, Schinner E, Castrop H, Vitzthum H, Hofmann F, Schlossmann J: Regulation of the Na(+)-K(+)-2Cl(-) cotransporter by cGMP/cGMP-dependent protein kinase I after furosemide administration. FEBS J. 2015 Oct;282(19):3786-98. doi: 10.1111/febs.13376. Epub 2015 Jul 30."	Approved; Vet_approved	Aminobenzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"Ototoxic agents; Amines; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Sulfanilamides; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Thyroxine-binding globulin substrates; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Aniline Compounds; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; UGT1A1 Substrates; Sulfur Compounds"	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O		Furosemide Action Pathway	drug_action		10091	46506779	D00331	PA449719		DAP000043	Furosemide	CHEMBL35	4603
DB00695	Furosemide	BE0005562	GPR35	Q9HC97	GPR35_HUMAN	agonist	22236570; 29860395; 25805994	"Yang Y, Fu A, Wu X, Reagan JD: GPR35 is a target of the loop diuretic drugs bumetanide and furosemide. Pharmacology. 2012;89(1-2):13-7. doi: 10.1159/000335127. Epub 2012 Jan 10.@@Divorty N, Milligan G, Graham D, Nicklin SA: The Orphan Receptor GPR35 Contributes to Angiotensin II-Induced Hypertension and Cardiac Dysfunction in Mice. Am J Hypertens. 2018 Aug 3;31(9):1049-1058. doi: 10.1093/ajh/hpy073.@@Divorty N, Mackenzie AE, Nicklin SA, Milligan G: G protein-coupled receptor 35: an emerging target in inflammatory and cardiovascular disease. Front Pharmacol. 2015 Mar 10;6:41. doi: 10.3389/fphar.2015.00041. eCollection 2015."	Approved; Vet_approved	Aminobenzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"Ototoxic agents; Amines; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Sulfanilamides; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Thyroxine-binding globulin substrates; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Aniline Compounds; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; UGT1A1 Substrates; Sulfur Compounds"	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O		Furosemide Action Pathway	drug_action		10091	46506779	D00331	PA449719		DAP000043	Furosemide	CHEMBL35	4603
DB00696	Ergotamine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	12558771; 8384716; 1407010; 14504136; 1646776	"Silberstein SD, McCrory DC: Ergotamine and dihydroergotamine: history, pharmacology, and efficacy. Headache. 2003 Feb;43(2):144-66.@@Lovenberg TW, Erlander MG, Baron BM, Racke M, Slone AL, Siegel BW, Craft CM, Burns JE, Danielson PE, Sutcliffe JG: Molecular cloning and functional expression of 5-HT1E-like rat and human 5-hydroxytryptamine receptor genes. Proc Natl Acad Sci U S A. 1993 Mar 15;90(6):2184-8.@@Hoyer D, Lery H, Waeber C, Bruinvels AT, Nozulak J, Palacios JM: ""5-HT1R"" or 5-HT1D sites? Evidence for 5-HT1D binding sites in rabbit brain. Naunyn Schmiedebergs Arch Pharmacol. 1992 Sep;346(3):249-54.@@Sanchez-Lopez A, Centurion D, Vazquez E, Arulmani U, Saxena PR, Villalon CM: Pharmacological profile of the 5-HT-induced inhibition of cardioaccelerator sympathetic outflow in pithed rats: correlation with 5-HT1 and putative 5-ht5A/5B receptors. Br J Pharmacol. 2003 Oct;140(4):725-35. Epub 2003 Sep 22.@@Deliganis AV, Peroutka SJ: 5-Hydroxtryptamine1D receptor agonism predicts antimigraine efficacy. Headache. 1991 Apr;31(4):228-31."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00696	Ergotamine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	partial agonist	17139284; 17016423; 18066532	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gornemann T, Jahnichen S, Schurad B, Latte KP, Horowski R, Tack J, Flieger M, Pertz HH: Pharmacological properties of a wide array of ergolines at functional alpha(1)-adrenoceptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2008 Jan;376(5):321-30. Epub 2007 Dec 8."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00696	Ergotamine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	partial agonist	18066532	"Gornemann T, Jahnichen S, Schurad B, Latte KP, Horowski R, Tack J, Flieger M, Pertz HH: Pharmacological properties of a wide array of ergolines at functional alpha(1)-adrenoceptor subtypes. Naunyn Schmiedebergs Arch Pharmacol. 2008 Jan;376(5):321-30. Epub 2007 Dec 8."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00696	Ergotamine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	8242725; 7665369	"Verhoeff NP, Visser WH, Ferrari MD, Saxena PR, van Royen EA: Dopamine D2-receptor imaging with 123I-iodobenzamide SPECT in migraine patients abusing ergotamine: does ergotamine cross the blood brain barrier? Cephalalgia. 1993 Oct;13(5):325-9.@@Larson BT, Samford MD, Camden JM, Piper EL, Kerley MS, Paterson JA, Turner JT: Ergovaline binding and activation of D2 dopamine receptors in GH4ZR7 cells. J Anim Sci. 1995 May;73(5):1396-400."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00696	Ergotamine	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	12525272	"Bigal ME, Tepper SJ: Ergotamine and dihydroergotamine: a review. Curr Pain Headache Rep. 2003 Feb;7(1):55-62."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00696	Ergotamine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	12525272	"Bigal ME, Tepper SJ: Ergotamine and dihydroergotamine: a review. Curr Pain Headache Rep. 2003 Feb;7(1):55-62."	Approved	"Ergotamines, dihydroergotamines, and derivatives"	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Sensory System Agents; Uterotonic agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Ergotamine Derivative; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Vasoconstrictor Agents; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Analgesics, Non-Narcotic; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Antimigraine Preparations; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Narrow Therapeutic Index Drugs; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Reproductive Control Agents"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O					11218	46507632	D07906	PA164747651		DAP000141	Ergotamine	CHEMBL442	4025
DB00697	Tizanidine	BE0003580	NISCH	Q9Y2I1	NISCH_HUMAN	agonist	18602099; 26962521	"Tanabe M, Hashimoto M, Ono H: Imidazoline I(1) receptor-mediated reduction of muscle rigidity in the reserpine-treated murine model of Parkinson's disease. Eur J Pharmacol. 2008 Jul 28;589(1-3):102-5. doi: 10.1016/j.ejphar.2008.06.013. Epub 2008 Jun 7.@@Talakoub R, Abbasi S, Maghami E, Zavareh SM: The effect of oral tizanidine on postoperative pain relief after elective laparoscopic cholecystectomy. Adv Biomed Res. 2016 Feb 8;5:19. doi: 10.4103/2277-9175.175905. eCollection 2016."	Approved; Investigational	Benzothiadiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiadiazoles	"Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Autonomic Agents; Hypotensive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Imidazoles; Potential QTc-Prolonging Agents; Adrenergic Agonists; Musculo-Skeletal System; Imidazolines; Analgesics; Neuromuscular Agents; Central Nervous System Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Narrow Therapeutic Index Drugs; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1					11821	46505373		PA451701		DAP000234	Tizanidine	CHEMBL1079	57258
DB00699	Nicergoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	10027088	"Alvarez-Guerra M, Bertholom N, Garay RP: Selective blockade by nicergoline of vascular responses elicited by stimulation of alpha 1A-adrenoceptor subtype in the rat. Fundam Clin Pharmacol. 1999;13(1):50-8."	Approved; Investigational	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Peripheral Vasodilators; Cardiovascular Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Cytochrome P-450 Substrates; Adrenergic Antagonists; Vasodilating Agents; Adrenergic alpha-1 Receptor Antagonists; Alkaloids; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Ergolines; Ergot Alkaloids and Derivatives; Nootropic Agents"	[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CN=CC(Br)=C1)CN2C)OC						46508741	D01290	PA164743014		DAP000902	Nicergoline	CHEMBL1372950	7398
DB00700	Eplerenone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	14503934; 14607457; 15554912; 11752352	"Moore TD, Nawarskas JJ, Anderson JR: Eplerenone: a selective aldosterone receptor antagonist for hypertension and heart failure. Heart Dis. 2003 Sep-Oct;5(5):354-63.@@Fraccarollo D, Galuppo P, Hildemann S, Christ M, Ertl G, Bauersachs J: Additive improvement of left ventricular remodeling and neurohormonal activation by aldosterone receptor blockade with eplerenone and ACE inhibition in rats with myocardial infarction. J Am Coll Cardiol. 2003 Nov 5;42(9):1666-73.@@Rogerson FM, Yao Y, Smith BJ, Fuller PJ: Differences in the determinants of eplerenone, spironolactone and aldosterone binding to the mineralocorticoid receptor. Clin Exp Pharmacol Physiol. 2004 Oct;31(10):704-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Mineralocorticoid (Aldosterone) Receptor Antagonists; Pregnenes; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Potassium-Sparing Diuretics; Diuretics; Lactones; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC		Eplerenone Action Pathway	drug_action		20438	46509053	D01115	PA164749044		DAP000085	Eplerenone	CHEMBL1095097	298869
DB00703	Methazolamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	15110853; 14684332; 10533697; 10649985; 9336012	"Ilies MA, Masereel B, Rolin S, Scozzafava A, Campeanu G, Cimpeanu V, Supuran CT: Carbonic anhydrase inhibitors: aromatic and heterocyclic sulfonamides incorporating adamantyl moieties with strong anticonvulsant activity. Bioorg Med Chem. 2004 May 15;12(10):2717-26.@@Winum JY, Casini A, Mincione F, Starnotti M, Montero JL, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits. Bioorg Med Chem Lett. 2004 Jan 5;14(1):225-9.@@Iyer GR, Bellantone RA, Taft DR: In vitro characterization of the erythrocyte distribution of methazolamide: a model of erythrocyte transport and binding kinetics. J Pharmacokinet Biopharm. 1999 Feb;27(1):45-66.@@Scozzafava A, Briganti F, Ilies MA, Supuran CT: Carbonic anhydrase inhibitors: synthesis of membrane-impermeant low molecular weight sulfonamides possessing in vivo selectivity for the membrane-bound versus cytosolic isozymes. J Med Chem. 2000 Jan 27;43(2):292-300.@@Lindskog S: Structure and mechanism of carbonic anhydrase. Pharmacol Ther. 1997;74(1):1-20."	Approved			Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Thiazoles; Photosensitizing Agents; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Thiadiazoles; Diuretics; Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O					5863	46506393	D00655	PA450413		DAP000599	Methazolamide	CHEMBL19	6826
DB00703	Methazolamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	18336310	"Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54."	Approved			Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Thiazoles; Photosensitizing Agents; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Thiadiazoles; Diuretics; Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O					5863	46506393	D00655	PA450413		DAP000599	Methazolamide	CHEMBL19	6826
DB00703	Methazolamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved			Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Thiazoles; Photosensitizing Agents; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Thiadiazoles; Diuretics; Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O					5863	46506393	D00655	PA450413		DAP000599	Methazolamide	CHEMBL19	6826
DB00704	Naltrexone	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	11752352; 18354714; 9040115; 17661275; 19484223	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Helm S, Trescot AM, Colson J, Sehgal N, Silverman S: Opioid antagonists, partial agonists, and agonists/antagonists: the role of office-based detoxification. Pain Physician. 2008 Mar-Apr;11(2):225-35.@@Herz A: Endogenous opioid systems and alcohol addiction. Psychopharmacology (Berl). 1997 Jan;129(2):99-111.@@Barrios de Tomasi E, Juarez-Gonzalez J: [Opioid antagonists and alcohol consumption]. Rev Neurol. 2007 Aug 1-15;45(3):155-62.@@Wee S, Orio L, Ghirmai S, Cashman JR, Koob GF: Inhibition of kappa opioid receptors attenuated increased cocaine intake in rats with extended access to cocaine. Psychopharmacology (Berl). 2009 Sep;205(4):565-75. doi: 10.1007/s00213-009-1563-y. Epub 2009 May 30."	Approved; Investigational; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Alcohol Deterrents; Centrally Acting Antiobesity Products; Drugs Used in Addictive Disorders; Natural Opium Alkaloids; Alkaloids; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antiobesity Preparations, Excl. Diet Products; Opioids; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Nervous System; Opiate Alkaloids; Opiate Antagonists"	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O		Naltrexone Action Pathway	drug_action		20300	46505333	D05113	PA450588		DAP000379	Naltrexone	CHEMBL19019	7243
DB00706	Tamsulosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	11752352; 9352698; 10503165; 9352700; 8647141; 8647140; 19427736; 14680444	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Abrams P, Speakman M, Stott M, Arkell D, Pocock R: A dose-ranging study of the efficacy and safety of tamsulosin, the first prostate-selective alpha 1A-adrenoceptor antagonist, in patients with benign prostatic obstruction (symptomatic benign prostatic hyperplasia). Br J Urol. 1997 Oct;80(4):587-96.@@Na YJ, Guo YL, Gu FL: Clinical comparison of selective and non-selective alpha 1A-adrenoceptor antagonists for bladder outlet obstruction associated with benign prostatic hyperplasia: studies on tamsulosin and terazosin in Chinese patients. The Chinese Tamsulosin Study Group. J Med. 1998;29(5-6):289-304.@@Lee E, Lee C: Clinical comparison of selective and non-selective alpha 1A-adrenoreceptor antagonists in benign prostatic hyperplasia: studies on tamsulosin in a fixed dose and terazosin in increasing doses. Br J Urol. 1997 Oct;80(4):606-11.@@Chapple CR, Wyndaele JJ, Nordling J, Boeminghaus F, Ypma AF, Abrams P: Tamsulosin, the first prostate-selective alpha 1A-adrenoceptor antagonist. A meta-analysis of two randomized, placebo-controlled, multicentre studies in patients with benign prostatic obstruction (symptomatic BPH). European Tamsulosin Study Group. Eur Urol. 1996;29(2):155-67.@@Schulman CC, Cortvriend J, Jonas U, Lock TM, Vaage S, Speakman MJ: Tamsulosin, the first prostate-selective alpha 1A-adrenoceptor antagonist. Analysis of a multinational, multicentre, open-label study assessing the long-term efficacy and safety in patients with benign prostatic obstruction (symptomatic BPH). European Tamsulosin Study Group. Eur Urol. 1996;29(2):145-54.@@Chen Y, Li H, Dong Q, Wang KJ: Blockade of alpha 1A-adrenoceptor: a novel possible strategy for male contraception. Med Hypotheses. 2009 Aug;73(2):140-1. doi: 10.1016/j.mehy.2009.02.022. Epub 2009  May 8.@@Michel MC, de la Rosette JJ: Efficacy and safety of tamsulosin in the treatment of urological diseases. Expert Opin Pharmacother. 2004 Jan;5(1):151-60."	Approved; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Amides; Benzene Derivatives; Hypotensive Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy	CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O					11780	46507763		PA451583		DAP000086	Tamsulosin	CHEMBL836	77492
DB00706	Tamsulosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	12270758; 7911719; 8996174; 9294627; 11752352; 14680444	"Ishiguro M, Futabayashi Y, Ohnuki T, Ahmed M, Muramatsu I, Nagatomo T: Identification of binding sites of prazosin, tamsulosin and KMD-3213 with alpha(1)-adrenergic receptor subtypes by molecular modeling. Life Sci. 2002 Oct 11;71(21):2531-41.@@Michel MC, Hanft G, Gross G: Functional studies on alpha 1-adrenoceptor subtypes mediating inotropic effects in rat right ventricle. Br J Pharmacol. 1994 Feb;111(2):539-46.@@Taguchi K, Saitoh M, Sato S, Asano M, Michel MC: Effects of tamsulosin metabolites at alpha-1 adrenoceptor subtypes. J Pharmacol Exp Ther. 1997 Jan;280(1):1-5.@@Richardson CD, Donatucci CF, Page SO, Wilson KH, Schwinn DA: Pharmacology of tamsulosin: saturation-binding isotherms and competition analysis using cloned alpha 1-adrenergic receptor subtypes. Prostate. 1997 Sep 15;33(1):55-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Michel MC, de la Rosette JJ: Efficacy and safety of tamsulosin in the treatment of urological diseases. Expert Opin Pharmacother. 2004 Jan;5(1):151-60."	Approved; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Amides; Benzene Derivatives; Hypotensive Agents; Urological Agents; Sulfones; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy	CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O					11780	46507763		PA451583		DAP000086	Tamsulosin	CHEMBL836	77492
DB00707	Porfimer sodium	BE0000499	LDLR	P01130	LDLR_HUMAN	other/unknown	1531856; 7661580; 7994588; 2945739; 1450993	"Korbelik M: Low density lipoprotein receptor pathway in the delivery of Photofrin: how much is it relevant for selective accumulation of the photosensitizer in tumors? J Photochem Photobiol B. 1992 Jan;12(1):107-9.@@Tsukagoshi S: [Porfimer sodium (Photofrin-II)]. Gan To Kagaku Ryoho. 1995 Aug;22(9):1271-8.@@Maziere JC, Mora L, Biade S, Maziere C, Santus R: [Potentiation of the photocytotoxic effect of photofrin II: synergistic action of verapamil and lovastatin]. Bull Acad Natl Med. 1994 Jun;178(6):1177-88; discussion 1188-9.@@Candide C, Morliere P, Maziere JC, Goldstein S, Santus R, Dubertret L, Reyftmann JP, Polonovski J: In vitro interaction of the photoactive anticancer porphyrin derivative photofrin II with low density lipoprotein, and its delivery to cultured human fibroblasts. FEBS Lett. 1986 Oct 20;207(1):133-8.@@Maziere JC, Morliere P, Biade S, Santus R: [Antitumor photochemotherapy: biochemical bases, therapeutic uses and perspectives]. C R Seances Soc Biol Fil. 1992;186(1-2):88-106."	Approved; Investigational			"Photosensitizing Agents for Phototherapy; Photoabsorption; Antineoplastic and Immunomodulating Agents; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Sensitizers Used in Photodynamic/radiation Therapy; Dermatologicals; Hematoporphyrin Derivative; Photosensitizing Activity; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Hematoporphyrins; Antineoplastic Agents; Photoactivated Radical Generator"						7644	46508600		PA164752658			Porfimer_sodium		333848
DB00708	Sufentanil	BE0000632	OPRK1	P41145	OPRK_HUMAN		8612823; 2467589	"Zhu J, Xue JC, Law PY, Claude PA, Luo LY, Yin J, Chen C, Liu-Chen LY: The region in the mu opioid receptor conferring selectivity for sufentanil over the delta receptor is different from that over the kappa receptor. FEBS Lett. 1996 Apr 15;384(2):198-202.@@Chang HM, Berde CB, Holz GG 4th, Steward GF, Kream RM: Sufentanil, morphine, met-enkephalin, and kappa-agonist (U-50,488H) inhibit substance P release from primary sensory neurons: a model for presynaptic spinal opioid actions. Anesthesiology. 1989 Apr;70(4):672-7."	Approved; Investigational	Anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Phenylpiperidine opioids; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids"	CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1		Sufentanil Action Pathway	drug_action		12343	46504737	D05938	PA451527		DAP000357	Sufentanil	CHEMBL658	56795
DB00713	Oxacillin	BE0001018	SLC15A1	P46059	S15A1_HUMAN		15567297	"Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillins; Antiinfectives for Systemic Use"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O						46505710	D08307	PA450725		DAP000440	Oxacillin	CHEMBL819	7773
DB00713	Oxacillin	BE0001134	SLC15A2	Q16348	S15A2_HUMAN		21741846	"Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub  2011 Jun 16."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Penicillins; Antiinfectives for Systemic Use"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O						46505710	D08307	PA450725		DAP000440	Oxacillin	CHEMBL819	7773
DB00714	Apomorphine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	11343576; 11752352; 11212866; 18691132; 10641988; 11692072; 11215397; 10494453; 15037665	"Berlin I, de Brettes B, Aymard G, Diquet B, Arnulf I, Puech AJ: Dopaminergic drug response and the genotype (Taq IA polymorphism) of the dopamine D2 receptor. Int J Neuropsychopharmacol. 2000 Mar;3(1):35-43.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kim HJ, Koh PO, Kang SS, Paik WY, Choi WS: The localization of dopamine D2 receptor mRNA in the human placenta and the anti-angiogenic effect of apomorphine in the chorioallantoic membrane. Life Sci. 2001 Jan 19;68(9):1031-40.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Lucht MJ, Kuehn KU, Schroeder W, Armbruster J, Abraham G, Schattenberg A, Gaensicke M, Barnow S, Tretzel H, Herrmann FH, Freyberger HJ: Influence of the dopamine D2 receptor (DRD2) exon 8 genotype on efficacy of tiapride and clinical outcome of alcohol withdrawal. Pharmacogenetics. 2001 Nov;11(8):647-53.@@Yamada S: [Disruption of prepulse inhibition of acoustic startle as an animal model for schizophrenia]. Nihon Shinkei Seishin Yakurigaku Zasshi. 2000 Oct;20(4):131-9.@@Yamada S, Harano M, Annoh N, Nakamura K, Tanaka M: Involvement of serotonin 2A receptors in phencyclidine-induced disruption of prepulse inhibition of the acoustic startle in rats. Biol Psychiatry. 1999 Sep 15;46(6):832-8.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8."	Approved; Investigational	Aporphines	Organic compounds; Alkaloids and derivatives; Aporphines	"Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics"	[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23					9268	46508653	D07460	PA164781163		DAP000281	Apomorphine	CHEMBL53	1043
DB00714	Apomorphine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	11752352; 15037665	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8."	Approved; Investigational	Aporphines	Organic compounds; Alkaloids and derivatives; Aporphines	"Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics"	[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23					9268	46508653	D07460	PA164781163		DAP000281	Apomorphine	CHEMBL53	1043
DB00714	Apomorphine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	18691132; 15037665	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@LeWitt PA: Subcutaneously administered apomorphine: pharmacokinetics and metabolism. Neurology. 2004 Mar 23;62(6 Suppl 4):S8-11. doi: 10.1212/wnl.62.6_suppl_4.s8."	Approved; Investigational	Aporphines	Organic compounds; Alkaloids and derivatives; Aporphines	"Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics"	[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23					9268	46508653	D07460	PA164781163		DAP000281	Apomorphine	CHEMBL53	1043
DB00714	Apomorphine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	18691132	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved; Investigational	Aporphines	Organic compounds; Alkaloids and derivatives; Aporphines	"Nonergot-derivative Dopamine Receptor Agonists; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Autonomic Agents; Antidepressive Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Genito Urinary System and Sex Hormones; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Opiate Agonists; Urologicals; COMT Substrates; Isoquinolines; Peripheral Nervous System Agents; Dopamine Agonists; Benzylisoquinolines; Serotonin Agents; Aporphines; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Drugs Used in Erectile Dysfunction; Emetics"	[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23					9268	46508653	D07460	PA164781163		DAP000281	Apomorphine	CHEMBL53	1043
DB00715	Paroxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	10869387; 10980326; 10987842; 11530128; 9537821; 27032980; 23338224	"Scholze P, Zwach J, Kattinger A, Pifl C, Singer EA, Sitte HH: Transporter-mediated release: a superfusion study on human embryonic kidney cells stably expressing the human serotonin transporter. J Pharmacol Exp Ther. 2000 Jun;293(3):870-8.@@Preuss UW, Soyka M, Bahlmann M, Wenzel K, Behrens S, de Jonge S, Kruger M, Bondy B: Serotonin transporter gene regulatory region polymorphism (5-HTTLPR), [3H]paroxetine binding in healthy control subjects and alcohol-dependent patients and their relationships to impulsivity. Psychiatry Res. 2000 Sep 25;96(1):51-61.@@Haughey HM, Fleckenstein AE, Metzger RR, Hanson GR: The effects of methamphetamine on serotonin transporter activity: role of dopamine and hyperthermia. J Neurochem. 2000 Oct;75(4):1608-17.@@Wihlback AC, Sundstrom-Poromaa I, Allard P, Mjorndal T, Spigset O, Backstrom T: Influence of postmenopausal hormone replacement therapy on platelet serotonin uptake site and serotonin 2A receptor binding. Obstet Gynecol. 2001 Sep;98(3):450-7.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Davis BA, Nagarajan A, Forrest LR, Singh SK: Mechanism of Paroxetine (Paxil) Inhibition of the Serotonin Transporter. Sci Rep. 2016 Apr 1;6:23789. doi: 10.1038/srep23789.@@Foster RH, Goa KL: Paroxetine : a review of its pharmacology and therapeutic potential in the management of panic disorder. CNS Drugs. 1997 Aug;8(2):163-88. doi: 10.2165/00023210-199708020-00010."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00715	Paroxetine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11203183; 12359676; 14566196; 9537821	"Rubin RT: Paroxetine binding to the rat norepinephrine transporter in vivo. Biol Psychiatry. 2000 Nov 1;48(9):954-6.@@Gilmor ML, Owens MJ, Nemeroff CB: Inhibition of norepinephrine uptake in patients with major depression treated with paroxetine. Am J Psychiatry. 2002 Oct;159(10):1702-10.@@Nemeroff CB, Owens MJ: Neuropharmacology of paroxetine. Psychopharmacol Bull. 2003 Spring;37 Suppl 1:8-18.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00715	Paroxetine	BE0000756	DRD2	P14416	DRD2_HUMAN	other/unknown	29274752; 23338224	"Ouk K, Aungier J, Cuesta M, Morton AJ: Chronic paroxetine treatment prevents disruption of methamphetamine-sensitive circadian oscillator in a transgenic mouse model of Huntington's disease. Neuropharmacology. 2018 Mar 15;131:337-350. doi: 10.1016/j.neuropharm.2017.12.033. Epub 2017 Dec 21.@@Foster RH, Goa KL: Paroxetine : a review of its pharmacology and therapeutic potential in the management of panic disorder. CNS Drugs. 1997 Aug;8(2):163-88. doi: 10.2165/00023210-199708020-00010."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00715	Paroxetine	BE0000442	HRH1	P35367	HRH1_HUMAN	inhibitor	16620364	"Westenberg HG, Sandner C: Tolerability and safety of fluvoxamine and other antidepressants. Int J Clin Pract. 2006 Apr;60(4):482-91. doi: 10.1111/j.1368-5031.2006.00865.x."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00715	Paroxetine	BE0004862	HTR1A	P34969	5HT7R_HUMAN				Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00715	Paroxetine	BE0004890	CHRM1	P08912	ACM5_HUMAN	inhibitor	12421645; 7855217; 7959522; 27695623	"Fujishiro J, Imanishi T, Onozawa K, Tsushima M: Comparison of the anticholinergic effects of the serotonergic antidepressants, paroxetine, fluvoxamine and clomipramine. Eur J Pharmacol. 2002 Nov 15;454(2-3):183-8. doi: 10.1016/s0014-2999(02)02557-8.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Hiemke C: [Paroxetine: pharmacokinetics and pharmacodynamics]. Fortschr Neurol Psychiatr. 1994 Sep;62 Suppl 1:2-8.@@Gray SL, Hanlon JT: Anticholinergic medication use and dementia: latest evidence and clinical implications. Ther Adv Drug Saf. 2016 Oct;7(5):217-224. doi: 10.1177/2042098616658399. Epub 2016 Jul 18."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1					11340	46504821	D02362	PA450801		DAP001428	Paroxetine	CHEMBL490	32937
DB00716	Nedocromil	BE0000995	FPR1	P21462	FPR1_HUMAN	antagonist	1326878; 1329582; 8384226	"Peroni DG, Melotti P, Piacentini GL, Bonizzato C, Boner AL: Effects of nedocromil sodium on the binding of N-formyl-methionyl-leucyl-phenylalanine in human neutrophils. Agents Actions. 1992 Jul;36(3-4):212-4.@@Carolan EJ, Casale TB: Effects of nedocromil sodium and WEB 2086 on chemoattractant-stimulated neutrophil migration through cellular and noncellular barriers. Ann Allergy. 1992 Oct;69(4):323-8.@@Warringa RA, Mengelers HJ, Maikoe T, Bruijnzeel PL, Koenderman L: Inhibition of cytokine-primed eosinophil chemotaxis by nedocromil sodium. J Allergy Clin Immunol. 1993 Mar;91(3):802-9."	Approved; Investigational	Chromenopyridines	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anti-Allergic Agents; Respiratory Agents, Miscellaneous; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Quinolones; 4-Quinolones; Immunologic Factors; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Respiratory System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Quinolines; Sensory Organs"	CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O					1324	46507587	D05129	PA450601			Nedocromil	CHEMBL746	31563
DB00716	Nedocromil	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		12803546; 17980980	"Okada M, Itoh H, Hatakeyama T, Tokumitsu H, Kobayashi R: Hsp90 is a direct target of the anti-allergic drugs disodium cromoglycate and amlexanox. Biochem J. 2003 Sep 1;374(Pt 2):433-41.@@Nishikawa M, Takemoto S, Takakura Y: Heat shock protein derivatives for delivery of antigens to antigen presenting cells. Int J Pharm. 2008 Apr 16;354(1-2):23-7. Epub 2007 Sep 29."	Approved; Investigational	Chromenopyridines	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anti-Allergic Agents; Respiratory Agents, Miscellaneous; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Quinolones; 4-Quinolones; Immunologic Factors; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Respiratory System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Quinolines; Sensory Organs"	CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O					1324	46507587	D05129	PA450601			Nedocromil	CHEMBL746	31563
DB00717	Norethisterone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	15261304; 15063480	"Garcia-Becerra R, Cooney AJ, Borja-Cacho E, Lemus AE, Perez-Palacios G, Larrea F: Comparative evaluation of androgen and progesterone receptor transcription selectivity indices of 19-nortestosterone-derived progestins. J Steroid Biochem Mol Biol. 2004 Jun;91(1-2):21-7.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estren Derivatives; Progestins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP2A6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inducers; Hypothalamic Hormones; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Pituitary and Hypothalamic Hormones and Analogues"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7498	46504816	D00182	PA450651		DAP001212	Norethisterone	CHEMBL1162	7514
DB00717	Norethisterone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15063480	Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2004 Apr 15;47(4):277-83.	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estren Derivatives; Progestins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP2A6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inducers; Hypothalamic Hormones; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Pituitary and Hypothalamic Hormones and Analogues"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7498	46504816	D00182	PA450651		DAP001212	Norethisterone	CHEMBL1162	7514
DB00719	Azatadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	9638277; 2568212; 2523301; 7528133; 11752352	"Singh N, Puri SK: Causal prophylactic activity of antihistaminic agents against Plasmodium yoelii nigeriensis infection in Swiss mice. Acta Trop. 1998 Jun;69(3):255-60.@@Mann KV, Crowe JP, Tietze KJ: Nonsedating histamine H1-receptor antagonists. Clin Pharm. 1989 May;8(5):331-44.@@Clissold SP, Sorkin EM, Goa KL: Loratadine. A preliminary review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1989 Jan;37(1):42-57.@@Haria M, Fitton A, Peters DH: Loratadine. A reappraisal of its pharmacological properties and therapeutic use in allergic disorders. Drugs. 1994 Oct;48(4):617-37.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	Potential QTc-Prolonging Agents; Anticholinergic Agents; Piperidines; QTc Prolonging Agents; Agents that reduce seizure threshold; Histamine Antagonists; Neurotransmitter Agents; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Cholinergic Agents	CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2		Azatadine H1-Antihistamine Action	drug_action		2291	46507958		PA164747157		DAP001079	Azatadine	CHEMBL946	18600
DB00721	Procaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	9768788; 8581044; 2167458	"Brau ME, Vogel W, Hempelmann G: Fundamental properties of local anesthetics: half-maximal blocking concentrations for tonic block of Na+ and K+ channels in peripheral nerve. Anesth Analg. 1998 Oct;87(4):885-9.@@Katalymov LL: [The effect of inhibitors of sodium permeability (novocaine and tetrodotoxin) on the trace depolarization of myelinated nerve fibers]. Fiziol Zh Im I M Sechenova. 1995 Sep;81(9):127-33.@@Creveling CR, Bell ME, Burke TR Jr, Chang E, Lewandowski-Lovenberg GA, Kim CH, Rice KC, Daly JW: Procaine isothiocyanate: an irreversible inhibitor of the specific binding of [3H]batrachotoxinin-A benzoate to sodium channels. Neurochem Res. 1990 Apr;15(4):441-8."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	16299047; 11812692	"Hahnenkamp K, Durieux ME, Hahnenkamp A, Schauerte SK, Hoenemann CW, Vegh V, Theilmeier G, Hollmann MW: Local anaesthetics inhibit signalling of human NMDA receptors recombinantly expressed in Xenopus laevis oocytes: role of protein kinase C. Br J Anaesth. 2006 Jan;96(1):77-87. Epub 2005 Nov 18.@@Nishizawa N, Shirasaki T, Nakao S, Matsuda H, Shingu K: The inhibition of the N-methyl-D-aspartate receptor channel by local anesthetics in mouse CA1 pyramidal neurons. Anesth Analg. 2002 Feb;94(2):325-30, table of contents."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	10685879; 16206183; 16956595	"Sato T, Kitayama S, Mitsuhata C, Ikeda T, Morita K, Dohi T: Selective inhibition of monoamine neurotransmitter transporters by synthetic local anesthetics. Naunyn Schmiedebergs Arch Pharmacol. 2000 Feb;361(2):214-20.@@Wilcox KM, Kimmel HL, Lindsey KP, Votaw JR, Goodman MM, Howell LL: In vivo comparison of the reinforcing and dopamine transporter effects of local anesthetics in rhesus monkeys. Synapse. 2005 Dec 15;58(4):220-8.@@Kiyatkin EA, Brown PL: The role of peripheral and central sodium channels in mediating brain temperature fluctuations induced by intravenous cocaine. Brain Res. 2006 Oct 30;1117(1):38-53. Epub 2006 Sep 7."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	20045405	"Wang H, Zhang Y, Li ST: The effect of local anesthetics on the inhibition of adult muscle-type nicotinic acetylcholine receptors by nondepolarizing muscle relaxants. Eur J Pharmacol. 2010 Mar 25;630(1-3):29-33. doi: 10.1016/j.ejphar.2009.12.028. Epub 2010 Jan 4."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	blocker	2580269; 3179612	"Benham CD, Bolton TB, Lang RJ, Takewaki T: The mechanism of action of Ba2+ and TEA on single Ca2+-activated K+ -channels in arterial and intestinal smooth muscle cell membranes. Pflugers Arch. 1985 Feb;403(2):120-7.@@Ahn HY, Karaki H: Inhibitory effects of procaine on contraction and calcium movement in vascular and intestinal smooth muscles. Br J Pharmacol. 1988 Jul;94(3):789-96. doi: 10.1111/j.1476-5381.1988.tb11590.x."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0000657	PLA2G4A	P47712	PA24A_HUMAN	inhibitor	952985; 133194; 133195	"Kunze H, Nahas N, Traynor JR, Wurl M: Effects of local anaesthetics on phospholipases. Biochim Biophys Acta. 1976 Jul 20;441(1):93-102.@@Hendrickson HS: The penetration of local anesthetics into phosphatidylcholine monolayers. J Lipid Res. 1976 Jul;17(4):393-8.@@Hendrickson HS, van Dam-Mieras MC: Local anesthetic inhibition of pancreatic phospholipase A2 action on lecithin monolayers. J Lipid Res. 1976 Jul;17(4):399-405."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0004909	MAOA	P27338	AOFB_HUMAN	inhibitor	1109354	"MacFarlane MD: Procaine HCl (Gerovital H3): a weak, reversible, fully competitive inhibitor of monoamine oxidase. Fed Proc. 1975 Jan;34(1):108-10."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0000892	DNMT1	P26358	DNMT1_HUMAN	inhibitor	12941824; 28926119	"Villar-Garea A, Fraga MF, Espada J, Esteller M: Procaine is a DNA-demethylating agent with growth-inhibitory effects in human cancer cells. Cancer Res. 2003 Aug 15;63(16):4984-9.@@Li YC, Wang Y, Li DD, Zhang Y, Zhao TC, Li CF: Procaine is a specific DNA methylation inhibitor with anti-tumor effect for human gastric cancer. J Cell Biochem. 2018 Feb;119(2):2440-2449. doi: 10.1002/jcb.26407. Epub 2017 Oct 27."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00721	Procaine	BE0009880	DNMT3A	Q9Y6K1	DNM3A_HUMAN	inhibitor	28926119	"Li YC, Wang Y, Li DD, Zhang Y, Zhao TC, Li CF: Procaine is a specific DNA methylation inhibitor with anti-tumor effect for human gastric cancer. J Cell Biochem. 2018 Feb;119(2):2440-2449. doi: 10.1002/jcb.26407. Epub 2017 Oct 27."	Approved; Investigational; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Nicotinic Antagonists; Esters of Aminobenzoic Acid; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; NMDA Receptor Antagonists; Aminobenzoates; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Acids, Carbocyclic; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Monoamine Oxidase Inhibitors; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Nervous System; Sensory Organs; Vasoprotectives"	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1		Procaine Action Pathway	drug_action		8836	46507724	D08422	PA451110		DAP000296	Procaine	CHEMBL569	8701
DB00722	Lisinopril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	17618628; 11752352; 11030016; 11929321; 9506845	"Andujar-Sanchez M, Jara-Perez V, Camara-Artigas A: Thermodynamic determination of the binding constants of angiotensin-converting enzyme inhibitors by a displacement method. FEBS Lett. 2007 Jul 24;581(18):3449-54. Epub 2007 Jun 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Piepho RW: Overview of the angiotensin-converting-enzyme inhibitors. Am J Health Syst Pharm. 2000 Oct 1;57 Suppl 1:S3-7.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24.@@Tellez-Sanz R, Garcia-Fuentes L, Baron C: Calorimetric analysis of lisinopril binding to angiotensin I-converting enzyme. FEBS Lett. 1998 Feb 13;423(1):75-80."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Protective Agents; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Oligopeptides; Drugs causing inadvertant photosensitivity; Peptides; Compounds used in a research, industrial, or household setting; Dipeptides"	NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O		Lisinopril Action Pathway	drug_action		1253	46504893	D00362	PA450242		DAP000587	Lisinopril	CHEMBL1237	1546022
DB00722	Lisinopril	BE0000270	REN	P00797	RENI_HUMAN	inhibitor	25767283	"Te Riet L, van Esch JH, Roks AJ, van den Meiracker AH, Danser AH: Hypertension: renin-angiotensin-aldosterone system alterations. Circ Res. 2015 Mar 13;116(6):960-75. doi: 10.1161/CIRCRESAHA.116.303587."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Protective Agents; Lipid Modifying Agents; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Oligopeptides; Drugs causing inadvertant photosensitivity; Peptides; Compounds used in a research, industrial, or household setting; Dipeptides"	NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O		Lisinopril Action Pathway	drug_action		1253	46504893	D00362	PA450242		DAP000587	Lisinopril	CHEMBL1237	1546022
DB00723	Methoxamine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	7875228; 1978244; 1680715; 7511752; 8986981	"Satoh M, Kojima C, Kokubu N, Takayanagi I: Alpha 1-adrenoceptor subtypes mediating the regulation and modulation of Ca2+ sensitization in rabbit thoracic aorta. Eur J Pharmacol. 1994 Nov 24;265(3):133-9.@@Suzuki E, Tsujimoto G, Tamura K, Hashimoto K: Two pharmacologically distinct alpha 1-adrenoceptor subtypes in the contraction of rabbit aorta: each subtype couples with a different Ca2+ signalling mechanism and plays a different physiological role. Mol Pharmacol. 1990 Nov;38(5):725-36.@@Piascik MT, Sparks MS, Pruitt TA, Soltis EE: Evidence for a complex interaction between the subtypes of the alpha 1-adrenoceptor. Eur J Pharmacol. 1991 Jul 9;199(3):279-89.@@Sattar MA, Johns EJ: Evidence for an alpha 1-adrenoceptor subtype mediating adrenergic vasoconstriction in Wistar normotensive and stroke-prone spontaneously hypertensive rat kidney. J Cardiovasc Pharmacol. 1994 Feb;23(2):232-9.@@Hoang TV, Choe EU, Burgess RS, Cork RC, Flint LM, Ferrara JJ: Characterization of alpha-adrenoceptor activity in the preterm piglet mesentery. J Pediatr Surg. 1996 Dec;31(12):1659-62."	Approved; Investigational	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Propanolamines; Cardiac Therapy; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	COC1=CC(C(O)C(C)N)=C(OC)C=C1					20294	46506264	D08201	PA450431		DAP000796	Methoxamine	CHEMBL524	6853
DB00723	Methoxamine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	2546049; 2988814; 8635240; 11752352; 11331292	"Tsujimoto G, Tsujimoto A, Suzuki E, Hashimoto K: Glycogen phosphorylase activation by two different alpha 1-adrenergic receptor subtypes: methoxamine selectively stimulates a putative alpha 1-adrenergic receptor subtype (alpha 1a) that couples with Ca2+ influx. Mol Pharmacol. 1989 Jul;36(1):166-76.@@Simpson P: Stimulation of hypertrophy of cultured neonatal rat heart cells through an alpha 1-adrenergic receptor and induction of beating through an alpha 1- and beta 1-adrenergic receptor interaction. Evidence for independent regulation of growth and beating. Circ Res. 1985 Jun;56(6):884-94.@@Oleksa LM, Hool LC, Harvey RD: Alpha 1-adrenergic inhibition of the beta-adrenergically activated Cl- current in guinea pig ventricular myocytes. Circ Res. 1996 Jun;78(6):1090-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Waugh DJ, Gaivin RJ, Zuscik MJ, Gonzalez-Cabrera P, Ross SA, Yun J, Perez DM: Phe-308 and Phe-312 in transmembrane domain 7 are major sites of alpha 1-adrenergic receptor antagonist binding. Imidazoline agonists bind like antagonists. J Biol Chem. 2001 Jul 6;276(27):25366-71. Epub 2001 Apr 30."	Approved; Investigational	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Propanolamines; Cardiac Therapy; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	COC1=CC(C(O)C(C)N)=C(OC)C=C1					20294	46506264	D08201	PA450431		DAP000796	Methoxamine	CHEMBL524	6853
DB00724	Imiquimod	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN	agonist	12470615; 12527213; 14616353; 15068862; 15072849; 11752352	"Gibson SJ, Lindh JM, Riter TR, Gleason RM, Rogers LM, Fuller AE, Oesterich JL, Gorden KB, Qiu X, McKane SW, Noelle RJ, Miller RL, Kedl RM, Fitzgerald-Bocarsly P, Tomai MA, Vasilakos JP: Plasmacytoid dendritic cells produce cytokines and mature in response to the TLR7 agonists, imiquimod and resiquimod. Cell Immunol. 2002 Jul-Aug;218(1-2):74-86.@@Akira S, Hemmi H: Recognition of pathogen-associated molecular patterns by TLR family. Immunol Lett. 2003 Jan 22;85(2):85-95.@@Dummer R, Urosevic M, Kempf W, Hoek K, Hafner J, Burg G: Imiquimod in basal cell carcinoma: how does it work? Br J Dermatol. 2003 Nov;149 Suppl 66:57-8.@@Otero M, Calarota SA, Felber B, Laddy D, Pavlakis G, Boyer JD, Weiner DB: Resiquimod is a modest adjuvant for HIV-1 gag-based genetic immunization in a mouse model. Vaccine. 2004 Apr 16;22(13-14):1782-90.@@Ambach A, Bonnekoh B, Nguyen M, Schon MP, Gollnick H: Imiquimod, a Toll-like receptor-7 agonist, induces perforin in cytotoxic T lymphocytes in vitro. Mol Immunol. 2004 Apr;40(18):1307-14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Imidazoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Imidazoquinolines	"Immunomodulatory Agents; Cancer immunotherapy; Increased Cytokine Production; Cytochrome P-450 CYP3A Substrates; Adjuvants, Immunologic; Dermatologicals; Immune Response Modifiers; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Interferon Inducers; Increased Cytokine Activity; Misc. Skin and Mucous Membrane Agents; Toll-Like Receptor Agonists; Antineoplastic Agents; Aminoquinolines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Quinolines"	CC(C)CN1C=NC2=C1C1=C(C=CC=C1)N=C2N					11834	46505394	D02500	PA449972		DAP000278	Imiquimod	CHEMBL1282	59943
DB00725	Homatropine methylbromide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 2612581; 20085574; 11124384	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Manjeet S, Sim MK: Atropine- and scopolamine-resistant subtypes of muscarinic receptors in the rabbit aorta. Eur J Pharmacol. 1989 Dec 12;174(1):99-105.@@George N, Shiny PJ, Miriam J, Nancy CA, Dhanasekar KR, Peedicayil J: Inhibitory effect of anticholinergics on the contraction of isolated caprine urinary bladder detrusor muscle. Auton Autacoid Pharmacol. 2010 Jul;30(3):173-7. doi: 10.1111/j.1474-8673.2009.00447.x. Epub 2010 Jan 19.@@Gil L, Gomez LE, Duran I, Cueva-Rolon R: Muscarinic mediation of the urethro genital reflex in spinal cord-transected rats. Pharmacol Biochem Behav. 2000 Oct;67(2):215-23."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism"	[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1					8955	46509020	D02070	PA164749405		DAP000823	Homatropine_methylbromide	CHEMBL1200851	1546413
DB00725	Homatropine methylbromide	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism"	[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1					8955	46509020	D02070	PA164749405		DAP000823	Homatropine_methylbromide	CHEMBL1200851	1546413
DB00725	Homatropine methylbromide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 6893558; 11124384	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Li CK, Mitchelson F: The selective antimuscarinic action of stercuronium. Br J Pharmacol. 1980 Oct;70(2):313-21.@@Gil L, Gomez LE, Duran I, Cueva-Rolon R: Muscarinic mediation of the urethro genital reflex in spinal cord-transected rats. Pharmacol Biochem Behav. 2000 Oct;67(2):215-23."	Approved	Tropane alkaloids	Organic compounds; Alkaloids and derivatives; Tropane alkaloids	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Belladonna and Derivatives, Plain; Drugs for Functional Gastrointestinal Disorders; Alkaloids; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds; Agents producing tachycardia; Azabicyclo Compounds; Alimentary Tract and Metabolism"	[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1					8955	46509020	D02070	PA164749405		DAP000823	Homatropine_methylbromide	CHEMBL1200851	1546413
DB00726	Trimipramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	16388933; 9537821	"Diamond M, Kelly JP, Connor TJ: Antidepressants suppress production of the Th1 cytokine interferon-gamma, independent of monoamine transporter blockade. Eur Neuropsychopharmacol. 2006 Oct;16(7):481-90. Epub 2006 Jan 4.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821; 21484238	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Haenisch B, Hiemke C, Bonisch H: Inhibitory potencies of trimipramine and its main metabolites at human monoamine and organic cation transporters. Psychopharmacology (Berl). 2011 Sep;217(2):289-95. doi: 10.1007/s00213-011-2281-9. Epub 2011 Apr 12."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	8863001	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	8863001	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000756	DRD2	P14416	DRD2_HUMAN	other/unknown	8863001	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	8863001	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	8863001; 11752352	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	binder	8863001	"Berger M, Gastpar M: Trimipramine: a challenge to current concepts on antidepressives. Eur Arch Psychiatry Clin Neurosci. 1996;246(5):235-9."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00726	Trimipramine	BE0004890	CHRM1	P08912	ACM5_HUMAN	binder	1979173	"Eikmeier G, Muszynski K, Berger M, Gastpar M: High-dose trimipramine in acute schizophrenia. Preliminary results of an open trial. Pharmacopsychiatry. 1990 Sep;23(5):212-4."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Potential QTc-Prolonging Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12					9906	46507121	D00394	PA451791		DAP001153	Trimipramine	CHEMBL644	10834
DB00728	Rocuronium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 19417616; 16931985; 18633030; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3.@@Jonsson M, Gurley D, Dabrowski M, Larsson O, Johnson EC, Eriksson LI: Distinct pharmacologic properties of neuromuscular blocking agents on human neuronal nicotinic acetylcholine receptors: a possible explanation for the train-of-four fade. Anesthesiology. 2006 Sep;105(3):521-33.@@Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1					349	46506855	D00765	PA164754992		DAP000349	Rocuronium_bromide	CHEMBL1201244	68139
DB00728	Rocuronium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 20400785	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1					349	46506855	D00765	PA164754992		DAP000349	Rocuronium_bromide	CHEMBL1201244	68139
DB00731	Nateglinide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	10773014; 11716850; 12196472; 12604678; 12764427; 11728565	"Hu S, Wang S, Fanelli B, Bell PA, Dunning BE, Geisse S, Schmitz R, Boettcher BR: Pancreatic beta-cell K(ATP) channel activity and membrane-binding studies with nateglinide: A comparison with sulfonylureas and repaglinide. J Pharmacol Exp Ther. 2000 May;293(2):444-52.@@Sunaga Y, Gonoi T, Shibasaki T, Ichikawa K, Kusama H, Yano H, Seino S: The effects of mitiglinide (KAD-1229), a new anti-diabetic drug, on ATP-sensitive K+ channels and insulin secretion: comparison with the sulfonylureas and nateglinide. Eur J Pharmacol. 2001 Nov 9;431(1):119-25.@@Hansen AM, Christensen IT, Hansen JB, Carr RD, Ashcroft FM, Wahl P: Differential interactions of nateglinide and repaglinide on the human beta-cell sulphonylurea receptor 1. Diabetes. 2002 Sep;51(9):2789-95.@@Chachin M, Yamada M, Fujita A, Matsuoka T, Matsushita K, Kurachi Y: Nateglinide, a D-phenylalanine derivative lacking either a sulfonylurea or benzamido moiety, specifically inhibits pancreatic beta-cell-type K(ATP) channels. J Pharmacol Exp Ther. 2003 Mar;304(3):1025-32.@@Norman P, Rabasseda X: Nateglinide: A structurally novel, short-acting, hypoglycemic agent. Drugs Today (Barc). 2001 Jun;37(6):411-426.@@Dornhorst A: Insulinotropic meglitinide analogues. Lancet. 2001 Nov 17;358(9294):1709-16."	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Amino Acids, Aromatic; Oral Hypoglycemics; Cycloparaffins; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cyclohexanes; Alimentary Tract and Metabolism; Cytochrome P-450 CYP3A5 Substrates; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Amino Acids, Cyclic; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A9 Substrates; Glinide; Cytochrome P-450 CYP3A7 Substrates; Potassium Channel Blockers"	CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O		Nateglinide Action Pathway	drug_action		12683	46504836	D01111	PA450600		DAP000918	Nateglinide	CHEMBL783	274332
DB00731	Nateglinide	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	17082235	"Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2."	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Amino Acids, Aromatic; Oral Hypoglycemics; Cycloparaffins; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cyclohexanes; Alimentary Tract and Metabolism; Cytochrome P-450 CYP3A5 Substrates; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Amino Acids, Cyclic; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; UGT1A9 Substrates; Glinide; Cytochrome P-450 CYP3A7 Substrates; Potassium Channel Blockers"	CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O		Nateglinide Action Pathway	drug_action		12683	46504836	D01111	PA450600		DAP000918	Nateglinide	CHEMBL783	274332
DB00732	Atracurium besylate	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 19417616	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3."	Approved	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Benzylisoquinolines; Anticholinergic Agents; Miscellaneous Skeletal Muscle Relaxants; Neuromuscular Agents; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Neuromuscular-Blocking Agents (Nondepolarizing); Neurotransmitter Agents; Cholinergic Agents; Isoquinolines; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C=C1)[N+](C)(CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCC3=C(C=C(OC)C(OC)=C3)C1CC1=CC(OC)=C(OC)C=C1)CC2					1844	46504689	D00758	PA164776840		DAP000105	Atracurium_besilate	CHEMBL1200527	1219
DB00733	Pralidoxime	BE0002180	BCHE	P06276	CHLE_HUMAN	activator	18825528; 11393267	"Pohanka M, Jun D, Kuca K: In vitro reactivation of trichlorfon-inhibited butyrylcholinesterase using HI-6, obidoxime, pralidoxime and K048. J Enzyme Inhib Med Chem. 2009 Jun;24(3):680-3. doi: 10.1080/14756360802328315.@@Khan S, Hemalatha R, Jeyaseelan L, Oommen A, Zachariah A: Neuroparalysis and oxime efficacy in organophosphate poisoning: a study of butyrylcholinesterase. Hum Exp Toxicol. 2001 Apr;20(4):169-74."	Approved; Vet_approved	N-methylpyridinium compounds	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines	"Enzyme Reactivators; Antidotes; Amines; Cholinesterase Reactivators; Neurotransmitter Agents; Protective Agents; Hydroxylamines; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Oximes; Compounds used in a research, industrial, or household setting"	C[N+]1=C(\C=N\O)C=CC=C1					9990	46509152		PA164744926			Pralidoxime	CHEMBL1420	34345
DB00734	Risperidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000659	HTR1D	P28221	5HT1D_HUMAN	antagonist			Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00734	Risperidone	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	25943458	Corena-McLeod M: Comparative Pharmacology of Risperidone and Paliperidone. Drugs R D. 2015 Jun;15(2):163-74. doi: 10.1007/s40268-015-0092-x.	Approved; Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Pyrimidinones; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1					723	46505850	D00426	PA451257		DAP000003	Risperidone	CHEMBL85	35636
DB00736	Esomeprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	19606942; 18627213; 19210109; 11752352	"Saccar CL: The pharmacology of esomeprazole and its role in gastric acid related diseases. Expert Opin Drug Metab Toxicol. 2009 Sep;5(9):1113-24. doi: 10.1517/17425250903124363.@@McKeage K, Blick SK, Croxtall JD, Lyseng-Williamson KA, Keating GM: Esomeprazole: a review of its use in the management of gastric acid-related diseases in adults. Drugs. 2008;68(11):1571-607.@@Vachhani R, Olds G, Velanovich V: Esomeprazole: a proton pump inhibitor. Expert Rev Gastroenterol Hepatol. 2009 Feb;3(1):15-27. doi: 10.1586/17474124.3.1.15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Sulfoxides; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Cytochrome P-450 CYP3A4 Substrates; Propionates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1		Esomeprazole Action Pathway; Esomeprazole Metabolism Pathway	drug_metabolism; drug_action		12371	46504894	D07917	PA10075		DCL000524	Esomeprazole	CHEMBL1201320	283742
DB00736	Esomeprazole	BE0000766	DDAH1	O94760	DDAH1_HUMAN		23825361; 28588208	"Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Sulfoxides; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Cytochrome P-450 CYP3A4 Substrates; Propionates; Proton Pump Inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1		Esomeprazole Action Pathway; Esomeprazole Metabolism Pathway	drug_metabolism; drug_action		12371	46504894	D07917	PA10075		DCL000524	Esomeprazole	CHEMBL1201320	283742
DB00737	Meclizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7513381; 1350745; 1362160; 1678430	"Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Martins MA, Pasquale CP, e Silva PM, Pires AL, Ruffie C, Rihoux JP, Cordeiro RS, Vargaftig BB: Interference of cetirizine with the late eosinophil accumulation induced by either PAF or compound 48/80. Br J Pharmacol. 1992 Jan;105(1):176-80.@@Pasquale CP, e Silva PM, Lima MC, Diaz BL, Rihoux JP, Vargaftig BB, Cordeiro RS, Martins MA: Suppression by cetirizine of pleurisy triggered by antigen in actively sensitized rats. Eur J Pharmacol. 1992 Nov 13;223(1):9-14.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anti-Allergic Agents; Piperazines; Histamine H1 Antagonists; Cholinergic Agents; Benzene Derivatives; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Emesis Suppression; Peripheral Nervous System Agents; Central Nervous System Agents; Neurotransmitter Agents; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Histamine Agents	CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1		Meclizine H1-Antihistamine Action	drug_action		6316	46507782	D08163	PA450338		DAP000795	Meclizine	CHEMBL1623	6676
DB00738	Pentamidine	BE0002517	TRDMT1	O14717	TRDMT_HUMAN	other	18263620	"Sun T, Zhang Y: Pentamidine binds to tRNA through non-specific hydrophobic interactions and inhibits aminoacylation and translation. Nucleic Acids Res. 2008 Mar;36(5):1654-64. doi: 10.1093/nar/gkm1180. Epub 2008 Feb 7."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Agents Against Leishmaniasis and Trypanosomiasis; Blood Glucose Lowering Agents; Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antifungal Agents; Antiparasitic Products, Insecticides and Repellents; Trypanocidal Agents; Antiprotozoals; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Miscellaneous Antiprotozoals; Cytochrome P-450 CYP2D6 Substrates; Antiparasitic Agents; Anti-Infective Agents; Benzamidines; Amidines; Hypoglycemia-Associated Agents; Moderate Risk QTc-Prolonging Agents"	NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1					20144	46508562		PA450850		DAP000764	Pentamidine	CHEMBL55	7994
DB00740	Riluzole	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 12440368; 9262334; 20590601	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schwartz G, Fehlings MG: Secondary injury mechanisms of spinal cord trauma: a novel therapeutic approach for the management of secondary pathophysiology with the sodium channel blocker riluzole. Prog Brain Res. 2002;137:177-90.@@Song JH, Huang CS, Nagata K, Yeh JZ, Narahashi T: Differential action of riluzole on tetrodotoxin-sensitive and tetrodotoxin-resistant sodium channels. J Pharmacol Exp Ther. 1997 Aug;282(2):707-14.@@Weiss S, Benoist D, White E, Teng W, Saint DA: Riluzole protects against cardiac ischaemia and reperfusion damage via block of the persistent sodium current. Br J Pharmacol. 2010 Jul;160(5):1072-82. doi: 10.1111/j.1476-5381.2010.00766.x."	Approved; Investigational	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Protective Agents; Benzothiazoles; Excitatory Amino Acid Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Neurotransmitter Agents; Anticonvulsants; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Miscellaneous Central Nervous System Agents; Neuroprotective Agents"	NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2					12026	46508094	D00775	PA451251		DAP000527	Riluzole	CHEMBL744	35623
DB00740	Riluzole	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN	inducer	8813989; 10899284; 12629173; 20226190; 20059984	"Wokke J: Riluzole. Lancet. 1996 Sep 21;348(9030):795-9.@@Azbill RD, Mu X, Springer JE: Riluzole increases high-affinity glutamate uptake in rat spinal cord synaptosomes. Brain Res. 2000 Jul 21;871(2):175-80.@@Dunlop J, Beal McIlvain H, She Y, Howland DS: Impaired spinal cord glutamate transport capacity and reduced sensitivity to riluzole in a transgenic superoxide dismutase mutant rat model of amyotrophic lateral sclerosis. J Neurosci. 2003 Mar 1;23(5):1688-96.@@Gosselin RD, O'Connor RM, Tramullas M, Julio-Pieper M, Dinan TG, Cryan JF: Riluzole normalizes early-life stress-induced visceral hypersensitivity in rats: role of spinal glutamate reuptake mechanisms. Gastroenterology. 2010 Jun;138(7):2418-25. doi: 10.1053/j.gastro.2010.03.003. Epub 2010 Mar 10.@@Hayashida K, Parker RA, Eisenach JC: Activation of glutamate transporters in the locus coeruleus paradoxically activates descending inhibition in rats. Brain Res. 2010 Mar 4;1317:80-6. doi: 10.1016/j.brainres.2009.12.086. Epub 2010 Jan 6."	Approved; Investigational	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Protective Agents; Benzothiazoles; Excitatory Amino Acid Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Neurotransmitter Agents; Anticonvulsants; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Miscellaneous Central Nervous System Agents; Neuroprotective Agents"	NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2					12026	46508094	D00775	PA451251		DAP000527	Riluzole	CHEMBL744	35623
DB00741	Hydrocortisone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16891588; 16895953; 16980198; 17038445; 17086345; 15634032	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Ophthalmological and Otological Preparations; Otologicals; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); Corticotropin Activation of Cortisol Production; 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic; signaling		7529	46505089	D00088	PA449905		DAP000718	Hydrocortisone	CHEMBL389621	5492
DB00741	Hydrocortisone	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Ophthalmological and Otological Preparations; Otologicals; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); Corticotropin Activation of Cortisol Production; 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic; signaling		7529	46505089	D00088	PA449905		DAP000718	Hydrocortisone	CHEMBL389621	5492
DB00745	Modafinil	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	15537337; 16885432; 14658934; 17477916; 11222668	"Zhou J, He R, Johnson KM, Ye Y, Kozikowski AP: Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug discovery by rational lead hybridization. J Med Chem. 2004 Nov 18;47(24):5821-4.@@Madras BK, Xie Z, Lin Z, Jassen A, Panas H, Lynch L, Johnson R, Livni E, Spencer TJ, Bonab AA, Miller GM, Fischman AJ: Modafinil occupies dopamine and norepinephrine transporters in vivo and modulates the transporters and trace amine activity in vitro. J Pharmacol Exp Ther. 2006 Nov;319(2):561-9. Epub 2006 Aug 2.@@Swanson JM: Role of executive function in ADHD. J Clin Psychiatry. 2003;64 Suppl 14:35-9.@@Dopheide MM, Morgan RE, Rodvelt KR, Schachtman TR, Miller DK: Modafinil evokes striatal [(3)H]dopamine release and alters the subjective properties of stimulants. Eur J Pharmacol. 2007 Jul 30;568(1-3):112-23. Epub 2007 Apr 5.@@Wisor JP, Nishino S, Sora I, Uhl GH, Mignot E, Edgar DM: Dopaminergic role in stimulant-induced wakefulness. J Neurosci. 2001 Mar 1;21(5):1787-94."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (moderate); Benzene Derivatives; Central Nervous System Stimulants; Cytochrome P-450 CYP3A5 Inducers (weak); Cytochrome P-450 Enzyme Inducers; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Wakefulness-Promoting Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Stimulants; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Sympathomimetic-like Agent; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Benzhydryl Compounds; Cytochrome P-450 CYP2C9 Inducers; Nervous System; Central Nervous System Stimulation"	NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1					11852	46504648	D01832	PA450530			Modafinil	CHEMBL1373	30125
DB00745	Modafinil	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	partial agonist	17681557	"Chen CR, Qu WM, Qiu MH, Xu XH, Yao MH, Urade Y, Huang ZL: Modafinil exerts a dose-dependent antiepileptic effect mediated by adrenergic alpha1 and histaminergic H1 receptors in mice. Neuropharmacology. 2007 Sep;53(4):534-41. Epub 2007 Jun 30."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (moderate); Benzene Derivatives; Central Nervous System Stimulants; Cytochrome P-450 CYP3A5 Inducers (weak); Cytochrome P-450 Enzyme Inducers; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Wakefulness-Promoting Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Stimulants; Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Sympathomimetic-like Agent; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Benzhydryl Compounds; Cytochrome P-450 CYP2C9 Inducers; Nervous System; Central Nervous System Stimulation"	NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1					11852	46504648	D01832	PA450530			Modafinil	CHEMBL1373	30125
DB00746	Deferoxamine	BE0003392	APP	P05067	A4_HUMAN		15681799	"Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48."	Approved; Investigational	Acetohydroxamic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Iron Chelating Agents; Iron Chelating Activity; Amines; Chelating Agents; Hydroxy Acids; Siderophores; Sequestering Agents; Hydroxylamines; Hydroxamic Acids; Heavy Metal Antagonists; Compounds used in a research, industrial, or household setting"	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN					2446	46506395	D03670	PA164746490			Deferoxamine	CHEMBL556	3131
DB00747	Scopolamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	15627430; 11752352; 16175141; 30566832	"Johnson DE, Nedza FM, Spracklin DK, Ward KM, Schmidt AW, Iredale PA, Godek DM, Rollema H: The role of muscarinic receptor antagonism in antipsychotic-induced hippocampal acetylcholine release. Eur J Pharmacol. 2005 Jan 4;506(3):209-19. Epub 2004 Dec 15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00747	Scopolamine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	18045203; 16175141; 30566832	"Reitz AB, Gupta SK, Huang Y, Parker MH, Ryan RR: The preparation and human muscarinic receptor profiling of oxybutynin and N-desethyloxybutynin enantiomers. Med Chem. 2007 Nov;3(6):543-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00747	Scopolamine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	18045203; 16175141; 30566832	"Reitz AB, Gupta SK, Huang Y, Parker MH, Ryan RR: The preparation and human muscarinic receptor profiling of oxybutynin and N-desethyloxybutynin enantiomers. Med Chem. 2007 Nov;3(6):543-5.@@Renner UD, Oertel R, Kirch W: Pharmacokinetics and pharmacodynamics in clinical use of scopolamine. Ther Drug Monit. 2005 Oct;27(5):655-65. doi: 10.1097/01.ftd.0000168293.48226.57.@@Lakstygal AM, Kolesnikova TO, Khatsko SL, Zabegalov KN, Volgin AD, Demin KA, Shevyrin VA, Wappler-Guzzetta EA, Kalueff AV: DARK Classics in Chemical Neuroscience: Atropine, Scopolamine, and Other Anticholinergic Deliriant Hallucinogens. ACS Chem Neurosci. 2019 May 15;10(5):2144-2159. doi: 10.1021/acschemneuro.8b00615. Epub 2019 Jan 10."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00747	Scopolamine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	inhibitor	15733544	"Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00747	Scopolamine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	inhibitor	15733544	"Smulders CJ, Zwart R, Bermudez I, van Kleef RG, Groot-Kormelink PJ, Vijverberg HP: Cholinergic drugs potentiate human nicotinic alpha4beta2 acetylcholine receptors by a competitive mechanism. Eur J Pharmacol. 2005 Feb 21;509(2-3):97-108."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00747	Scopolamine	BE0001176	SI	P14410	SUIS_HUMAN	inhibitor	20230815	"Minai-Tehrani D, Fooladi N, Minoui S, Sobhani-Damavandifar Z, Aavani T, Heydarzadeh S, Attar F, Ghaffari M, Nazem H: Structural changes and inhibition of sucrase after binding of scopolamine. Eur J Pharmacol. 2010 Jun 10;635(1-3):23-6. doi: 10.1016/j.ejphar.2010.02.040. Epub 2010 Mar 15."	Approved; Investigational	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives	"Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Gastrointestinal Agents; Aza Compounds; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Adjuvants; Solanaceous Alkaloids; Psycholeptics; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Mydriatics and Cycloplegics; Scopolamine Derivatives; Mydriatics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Belladonna Alkaloids; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Antiemetics and Antinauseants; Central Nervous System Agents; Ophthalmologicals; Neurotransmitter Agents; Antiemetics; Nervous System; Sensory Organs"	CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9011	46506966	D00138	PA451308		DNC000757	Scopolamine	CHEMBL569713	9603
DB00748	Carbinoxamine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7513381; 16574052; 1143714; 19761204; 11752352; 1360248	"Oishi R, Shishido S, Yamori M, Saeki K: Comparison of the effects of eleven histamine H1-receptor antagonists on monoamine turnover in the mouse brain. Naunyn Schmiedebergs Arch Pharmacol. 1994 Feb;349(2):140-4.@@Ramadan AA, Mandil H: Spectrophotometric determination of carbinoxamine maleate in pharmaceutical formulations by ternary complex formation with Cu(II) and eosin. Anal Biochem. 2006 Jun 1;353(1):133-7. Epub 2006 Mar 9.@@Darby WJ: Nutrition, food needs and technologic priorities: the World Food Conference. Nutr Rev. 1975 Aug;33(8):225-34.@@Yang J, Dudley GB: [1,2]-Anionic rearrangement of 2-benzyloxypyridine and related pyridyl ethers. J Org Chem. 2009 Oct 16;74(20):7998-8000. doi: 10.1021/jo901707x.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606."	Approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	QTc Prolonging Agents; Central Nervous System Depressants; Aminoalkyl Ethers; Histamine Antagonists; Neurotransmitter Agents; Drugs causing inadvertant photosensitivity; Histamine H1 Antagonists; Photosensitizing Agents; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents	CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Carbinoxamine H1-Antihistamine Action	drug_action			46506787		PA164746898		DAP001069	Carbinoxamine	CHEMBL864	20220
DB00749	Etodolac	BE0000412	RXRA	P19793	RXRA_HUMAN	other	15699354	"Kolluri SK, Corr M, James SY, Bernasconi M, Lu D, Liu W, Cottam HB, Leoni LM, Carson DA, Zhang XK: The R-enantiomer of the nonsteroidal antiinflammatory drug etodolac binds retinoid X receptor and induces tumor-selective apoptosis. Proc Natl Acad Sci U S A. 2005 Feb 15;102(7):2525-30. Epub 2005 Feb 7."	Approved; Investigational; Vet_approved	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Sensory System Agents; UGT2B7 substrates; Enzyme Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Indoles; Acetic Acid Derivatives and Related Substances; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Photosensitizing Agents; Indoleacetic Acids; Drugs that are Mainly Renally Excreted; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Cyclooxygenase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1		Etodolac Action Pathway	drug_action		1880	46505184	D00315	PA449550		DAP000778	Etodolac	CHEMBL622	24605
DB00750	Prilocaine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Local Anesthetics (Amide); Local Anesthesia; Aniline Compounds; Sensory System Agents; Anesthetics, Local; Amines; Central Nervous System Agents; Central Nervous System Depressants; Anesthetics; Nervous System; Amides; Anilides; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents"	CCCNC(C)C(=O)NC1=CC=CC=C1C		Prilocaine Action Pathway	drug_action		9797	46505066	D00553	PA451101		DAP000511	Prilocaine	CHEMBL1194	8686
DB00751	Epinastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17534605; 1972625; 11752352	"Tsujii T, Yamamoto E, Ohira T, Saito N, Watanabe S: Effects of sedative and non-sedative H1 antagonists on cognitive tasks: behavioral and near-infrared spectroscopy (NIRS) examinations. Psychopharmacology (Berl). 2007 Sep;194(1):83-91. Epub 2007 May 30.@@Walther G, Daniel H, Bechtel WD, Brandt K: New tetracyclic guanidine derivatives with H1-antihistaminic properties. Chemistry of epinastine. Arzneimittelforschung. 1990 Apr;40(4):440-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21		Epinastine H1-Antihistamine Action	drug_action			46509056	D01713	PA164764489		DAP001074	Epinastine	CHEMBL1106	39684
DB00751	Epinastine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	16131920	"Bielory L, Ghafoor S: Histamine receptors and the conjunctiva. Curr Opin Allergy Clin Immunol. 2005 Oct;5(5):437-40."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21		Epinastine H1-Antihistamine Action	drug_action			46509056	D01713	PA164764489		DAP001074	Epinastine	CHEMBL1106	39684
DB00751	Epinastine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	unknown	8836655	"Dupont LJ, Meade CJ, Demedts MG, Verleden GM: Epinastine (WAL 801CL) modulates the noncholinergic contraction in guinea-pig airways in vitro by a prejunctional 5-HT1-like receptor. Eur Respir J. 1996 Jul;9(7):1433-8."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21		Epinastine H1-Antihistamine Action	drug_action			46509056	D01713	PA164764489		DAP001074	Epinastine	CHEMBL1106	39684
DB00751	Epinastine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10596692	"Dupont LJ, Pype JL, Meade CJ, DeLeyn P, Deneffe G, Demedts MG, Verleden GM: Epinastine (WAL 801CL) inhibits the electrical field stimulation-induced cholinergic contraction in guinea pig and human airways in vitro. Eur Respir J. 1999 Nov;14(5):1068-75."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Ophthalmics; Histamine H1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; P-glycoprotein substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Cytochrome P-450 CYP3A4 Substrates; Acid Reducers; Serotonin Agents; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21		Epinastine H1-Antihistamine Action	drug_action			46509056	D01713	PA164764489		DAP001074	Epinastine	CHEMBL1106	39684
DB00752	Tranylcypromine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	11752352; 9829163; 20655983; 16495723; 15351283; 15276688; 15049511; 14574774; 10548268; 10494892; 10027835; 8749840; 12504917	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Volz HP, Gleiter CH: Monoamine oxidase inhibitors. A perspective on their use in the elderly. Drugs Aging. 1998 Nov;13(5):341-55.@@Shioda K, Nisijima K, Yoshino T, Kato S: Mirtazapine abolishes hyperthermia in an animal model of serotonin syndrome. Neurosci Lett. 2010 Oct 4;482(3):216-9. doi: 10.1016/j.neulet.2010.07.039. Epub 2010 Jul 23.@@Gatch MB, Taylor CM, Flores E, Selvig M, Forster MJ: Effects of monoamine oxidase inhibitors on cocaine discrimination in rats. Behav Pharmacol. 2006 Mar;17(2):151-9.@@Lang W, Masucci JA, Caldwell GW, Hageman W, Hall J, Jones WJ, Rafferty BM: Liquid chromatographic and tandem mass spectrometric assay for evaluation of in vivo inhibition of rat brain monoamine oxidases (MAO) A and B following a single dose of MAO inhibitors: application of biomarkers in drug discovery. Anal Biochem. 2004 Oct 1;333(1):79-87.@@Shioda K, Nisijima K, Yoshino T, Kato S: Extracellular serotonin, dopamine and glutamate levels are elevated in the hypothalamus in a serotonin syndrome animal model induced by tranylcypromine and fluoxetine. Prog Neuropsychopharmacol Biol Psychiatry. 2004 Jul;28(4):633-40.@@Salsali M, Holt A, Baker GB: Inhibitory effects of the monoamine oxidase inhibitor tranylcypromine on the cytochrome P450 enzymes CYP2C19, CYP2C9, and CYP2D6. Cell Mol Neurobiol. 2004 Feb;24(1):63-76.@@Nolen WA: [Classical monoamine oxidase inhibitor: not registered for, but still a place in the treatment of depression]. Ned Tijdschr Geneeskd. 2003 Oct 4;147(40):1940-3.@@Cohen C, Curet O, Perrault G, Sanger DJ: Reduction of oral ethanol self-administration in rats by monoamine oxidase inhibitors. Pharmacol Biochem Behav. 1999 Nov;64(3):535-9.@@Wiest SA, Steinberg MI: 3H[2-(2-benzofuranyl)-2-imidazoline] (BFI) binding in human platelets: modulation by tranylcypromine. Naunyn Schmiedebergs Arch Pharmacol. 1999 Aug;360(2):209-16.@@Loscher W, Lehmann H, Teschendorf HJ, Traut M, Gross G: Inhibition of monoamine oxidase type A, but not type B, is an effective means of inducing anticonvulsant activity in the kindling model of epilepsy. J Pharmacol Exp Ther. 1999 Mar;288(3):984-92.@@Todd KG, Baker GB: GABA-elevating effects of the antidepressant/antipanic drug phenelzine in brain: effects of pretreatment with tranylcypromine, (-)-deprenyl and clorgyline. J Affect Disord. 1995 Dec 13;35(3):125-9.@@Finberg JP, Youdim MB: Pharmacological properties of the anti-Parkinson drug rasagiline; modification of endogenous brain amines, reserpine reversal, serotonergic and dopaminergic behaviours. Neuropharmacology. 2002 Dec;43(7):1110-8."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2A6 Inhibitors; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Serotonin Agents; Anti-Anxiety Agents; Monoamine Oxidase Inhibitors; Central Nervous System Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Psychotropic Drugs; Tranquilizing Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Propylamines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	NC1CC1C1=CC=CC=C1					5882	46505832	D08625	PA451741		DAP000081	Tranylcypromine	CHEMBL313833	10734
DB00753	Isoflurane	BE0000218	ATP2C1	P98194	AT2C1_HUMAN	inhibitor	17139284; 17016423; 8214757	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kosk-Kosicka D, Roszczynska G: Inhibition of plasma membrane Ca(2+)-ATPase activity by volatile anesthetics. Anesthesiology. 1993 Oct;79(4):774-80."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00753	Isoflurane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	17139284; 17016423; 16973644	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00753	Isoflurane	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	17207582; 8786535	"Guo L, Wang Y: Glutamate stimulates glutamate receptor interacting protein 1 degradation by ubiquitin-proteasome system to regulate surface expression of GluR2. Neuroscience. 2007 Mar 2;145(1):100-9. Epub 2007 Jan 3.@@Dildy-Mayfield JE, Eger EI 2nd, Harris RA: Anesthetics produce subunit-selective actions on glutamate receptors. J Pharmacol Exp Ther. 1996 Mar;276(3):1058-65."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00753	Isoflurane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00753	Isoflurane	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	20660787; 12131122; 15618790	"Brannigan G, LeBard DN, Henin J, Eckenhoff RG, Klein ML: Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain. Proc Natl Acad Sci U S A. 2010 Aug 10;107(32):14122-7. doi: 10.1073/pnas.1008534107. Epub 2010 Jul 26.@@Flood P, Sonner JM, Gong D, Coates KM: Isoflurane hyperalgesia is modulated by nicotinic inhibition. Anesthesiology. 2002 Jul;97(1):192-8.@@Yamashita M, Mori T, Nagata K, Yeh JZ, Narahashi T: Isoflurane modulation of neuronal nicotinic acetylcholine receptors expressed in human embryonic kidney cells. Anesthesiology. 2005 Jan;102(1):76-84."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00753	Isoflurane	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	antagonist	20660787; 12131122; 15618790	"Brannigan G, LeBard DN, Henin J, Eckenhoff RG, Klein ML: Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain. Proc Natl Acad Sci U S A. 2010 Aug 10;107(32):14122-7. doi: 10.1073/pnas.1008534107. Epub 2010 Jul 26.@@Flood P, Sonner JM, Gong D, Coates KM: Isoflurane hyperalgesia is modulated by nicotinic inhibition. Anesthesiology. 2002 Jul;97(1):192-8.@@Yamashita M, Mori T, Nagata K, Yeh JZ, Narahashi T: Isoflurane modulation of neuronal nicotinic acetylcholine receptors expressed in human embryonic kidney cells. Anesthesiology. 2005 Jan;102(1):76-84."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Anesthetics, General; Nicotinic Antagonists; QTc Prolonging Agents; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Methyl Ethers; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FC(F)OC(Cl)C(F)(F)F					2019	46505880	D00545	PA450106		DAP001033	Isoflurane	CHEMBL1256	6026
DB00754	Ethotoin	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17139284; 17016423; 15066664; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lenkowski PW, Ko SH, Anderson JD, Brown ML, Patel MK: Block of human NaV1.5 sodium channels by novel alpha-hydroxyphenylamide analogues of phenytoin. Eur J Pharm Sci. 2004 Apr;21(5):635-44.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Sodium Channel Blockers; Thyroxine-binding globulin substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; Central Nervous System Depressants; Imidazolidines; Cytochrome P-450 CYP3A Inducers; Imidazoles; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Inducers; Membrane Transport Modulators; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCN1C(=O)NC(C1=O)C1=CC=CC=C1						46504521	D00708	PA164768735		DAP000512	Ethotoin	CHEMBL1095	4136
DB00754	Ethotoin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	15039302	"Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved	Phenylhydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	Sodium Channel Blockers; Thyroxine-binding globulin substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Voltage-Gated Sodium Channel Blockers; Hydantoins; Central Nervous System Agents; Central Nervous System Depressants; Imidazolidines; Cytochrome P-450 CYP3A Inducers; Imidazoles; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Inducers; Membrane Transport Modulators; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCN1C(=O)NC(C1=O)C1=CC=CC=C1						46504521	D00708	PA164768735		DAP000512	Ethotoin	CHEMBL1095	4136
DB00755	Tretinoin	BE0000663	RARA	P10276	RARA_HUMAN	agonist	1318502; 9160172	"Vollberg TM Sr, Nervi C, George MD, Fujimoto W, Krust A, Jetten AM: Retinoic acid receptors as regulators of human epidermal keratinocyte differentiation. Mol Endocrinol. 1992 May;6(5):667-76.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000206	RARB	P10826	RARB_HUMAN	agonist	15958702; 9160172	"Steidl U, Schroeder T, Steidl C, Kobbe G, Graef T, Bork S, Pechtel S, Kliszewski S, Kuendgen A, Rohr UP, Fenk R, Schroeder M, Haase D, Haas R, Kronenwett R: Distinct gene expression pattern of malignant hematopoietic stem and progenitor cells in polycythemia vera. Ann N Y Acad Sci. 2005 Jun;1044:94-108.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000144	RARG	P13631	RARG_HUMAN	agonist	17139284; 17016423; 1332684; 8394693; 10792999; 10592235; 11752352; 9160172	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Reddy AP, Chen JY, Zacharewski T, Gronemeyer H, Voorhees JJ, Fisher GJ: Characterization and purification of human retinoic acid receptor-gamma 1 overexpressed in the baculovirus-insect cell system. Biochem J. 1992 Nov 1;287 ( Pt 3):833-40.@@Kamei Y, Kawada T, Kazuki R, Sugimoto E: Retinoic acid receptor gamma 2 gene expression is up-regulated by retinoic acid in 3T3-L1 preadipocytes. Biochem J. 1993 Aug 1;293 ( Pt 3):807-12.@@Borger DR, Mi Y, Geslani G, Zyzak LL, Batova A, Engin TS, Pirisi L, Creek KE: Retinoic acid resistance at late stages of human papillomavirus type 16-mediated transformation of human keratinocytes arises despite intact retinoid signaling and is due to a loss of sensitivity to transforming growth factor-beta. Virology. 2000 May 10;270(2):397-407.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	16946489; 9160172	"Mizuguchi Y, Wada A, Nakagawa K, Ito M, Okano T: Antitumoral activity of 13-demethyl or 13-substituted analogues of all-trans retinoic acid and 9-cis retinoic acid in the human myeloid leukemia cell line HL-60. Biol Pharm Bull. 2006 Sep;29(9):1803-9.@@Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000508	CRABP1	P29762	RABP1_HUMAN	binder	9160172	"Regazzi MB, Iacona I, Gervasutti C, Lazzarino M, Toma S: Clinical pharmacokinetics of tretinoin. Clin Pharmacokinet. 1997 May;32(5):382-402. doi: 10.2165/00003088-199732050-00004."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000653	RARRES1	P49788	TIG1_HUMAN	agonist	15059893; 15897880	"Youssef EM, Chen XQ, Higuchi E, Kondo Y, Garcia-Manero G, Lotan R, Issa JP: Hypermethylation and silencing of the putative tumor suppressor Tazarotene-induced gene 1 in human cancers. Cancer Res. 2004 Apr 1;64(7):2411-7.@@Zirn B, Samans B, Spangenberg C, Graf N, Eilers M, Gessler M: All-trans retinoic acid treatment of Wilms tumor cells reverses expression of genes associated with high risk and relapse in vivo. Oncogene. 2005 Aug 4;24(33):5246-51."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000554	ALDH1A1	P00352	AL1A1_HUMAN	substrate	15366004; 15245423; 16837774; 16207763; 16166285	"Mic FA, Molotkov A, Molotkova N, Duester G: Raldh2 expression in optic vesicle generates a retinoic acid signal needed for invagination of retina during optic cup formation. Dev Dyn. 2004 Oct;231(2):270-7.@@Everts HB, King LE Jr, Sundberg JP, Ong DE: Hair cycle-specific immunolocalization of retinoic acid synthesizing enzymes Aldh1a2 and Aldh1a3 indicate complex regulation. J Invest Dermatol. 2004 Aug;123(2):258-63.@@Gidlof AC, Ocaya P, Olofsson PS, Torma H, Sirsjo A: Differences in retinol metabolism and proliferative response between neointimal and medial smooth muscle cells. J Vasc Res. 2006;43(4):392-8. Epub 2006 Jul 6.@@Matt N, Dupe V, Garnier JM, Dennefeld C, Chambon P, Mark M, Ghyselinck NB: Retinoic acid-dependent eye morphogenesis is orchestrated by neural crest cells. Development. 2005 Nov;132(21):4789-800. Epub 2005 Oct 5.@@Kim H, Lapointe J, Kaygusuz G, Ong DE, Li C, van de Rijn M, Brooks JD, Pollack JR: The retinoic acid synthesis gene ALDH1a2 is a candidate tumor suppressor in prostate cancer. Cancer Res. 2005 Sep 15;65(18):8118-24."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00755	Tretinoin	BE0000513	ALDH1A2	O94788	AL1A2_HUMAN	substrate	15069081; 15299009; 15366004; 15950488; 15950969	"Mic FA, Sirbu IO, Duester G: Retinoic acid synthesis controlled by Raldh2 is required early for limb bud initiation and then later as a proximodistal signal during apical ectodermal ridge formation. J Biol Chem. 2004 Jun 18;279(25):26698-706. Epub 2004 Apr 6.@@Bordelon T, Montegudo SK, Pakhomova S, Oldham ML, Newcomer ME: A disorder to order transition accompanies catalysis in retinaldehyde dehydrogenase type II. J Biol Chem. 2004 Oct 8;279(41):43085-91. Epub 2004 Aug 7.@@Mic FA, Molotkov A, Molotkova N, Duester G: Raldh2 expression in optic vesicle generates a retinoic acid signal needed for invagination of retina during optic cup formation. Dev Dyn. 2004 Oct;231(2):270-7.@@Doxakis E, Davies AM: Retinoic acid negatively regulates GDNF and neurturin receptor expression and responsiveness in embryonic chicken sympathetic neurons. Mol Cell Neurosci. 2005 Aug;29(4):617-27.@@Everts HB, Sundberg JP, Ong DE: Immunolocalization of retinoic acid biosynthesis systems in selected sites in rat. Exp Cell Res. 2005 Aug 15;308(2):309-19."	Approved; Investigational; Nutraceutical			"Anti-Acne Preparations for Topical Use; Retinoids for cancer treatment; Vitamin A; UGT2B7 substrates; Vitamins; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Substrates; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cytochrome P-450 CYP2B6 Substrates; Hypotensive Agents; Cyclohexenes; Vitamins (Fat Soluble); Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cyclohexanes; Pigments, Biological; Antineoplastic Agents; Terpenes; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Cytochrome P-450 CYP2A6 Substrates; Diterpenes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Retinoids; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Polyenes; Retinoids for Topical Use in Acne; Cell Stimulants and Proliferants; Keratolytic Agents; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O		Retinol Metabolism; Vitamin A Deficiency	disease; metabolic		5054	46504843	D00094	PA164746900		DNC000117	Tretinoin	CHEMBL38	10753
DB00756	Hexachlorophene	BE0000180	GLUD1	P00367	DHE3_HUMAN	inhibitor	19531491; 570044	"Li M, Smith CJ, Walker MT, Smith TJ: Novel inhibitors complexed with glutamate dehydrogenase: allosteric regulation by control of protein dynamics. J Biol Chem. 2009 Aug 21;284(34):22988-3000. doi: 10.1074/jbc.M109.020222. Epub 2009 Jun 15.@@Wang JL, Buhler DR: Inhibition of dehydrogenase enzymes by hexachlorophene. Biochem Pharmacol. 1978;27(24):2947-53."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Anti-Infective Agents; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Chlorophenols; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Dermatologicals; Benzene Derivatives; Chlorobenzenes; Antiseptics and Disinfectants"	OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl					9751	46505858	D00859	PA449871		DAP001050	Hexachlorophene	CHEMBL496	5293
DB00756	Hexachlorophene	BE0000123	ESR1	P03372	ESR1_HUMAN		15081572	"Jung J, Ishida K, Nishihara T: Anti-estrogenic activity of fifty chemicals evaluated by in vitro assays. Life Sci. 2004 May 7;74(25):3065-74."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Anti-Infective Agents; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Chlorophenols; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Dermatologicals; Benzene Derivatives; Chlorobenzenes; Antiseptics and Disinfectants"	OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl					9751	46505858	D00859	PA449871		DAP001050	Hexachlorophene	CHEMBL496	5293
DB00758	Clopidogrel	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	14668029; 15199474; 15269827; 15291969; 15308557; 19463375; 16835302; 12615691	"Dorsam RT, Murugappan S, Ding Z, Kunapuli SP: Clopidogrel: interactions with the P2Y12 receptor and clinical relevance. Hematology. 2003 Dec;8(6):359-65.@@Herbert JM, Savi P: P2Y12, a new platelet ADP receptor, target of clopidogrel. Semin Vasc Med. 2003 May;3(2):113-22.@@Taubert D, Kastrati A, Harlfinger S, Gorchakova O, Lazar A, von Beckerath N, Schomig A, Schomig E: Pharmacokinetics of clopidogrel after administration of a high loading dose. Thromb Haemost. 2004 Aug;92(2):311-6.@@Wang L, Jacobsen SE, Bengtsson A, Erlinge D: P2 receptor mRNA expression profiles in human lymphocytes, monocytes and CD34+ stem and progenitor cells. BMC Immunol. 2004 Aug 3;5:16.@@Wihlborg AK, Wang L, Braun OO, Eyjolfsson A, Gustafsson R, Gudbjartsson T, Erlinge D: ADP receptor P2Y12 is expressed in vascular smooth muscle cells and stimulates contraction in human blood vessels. Arterioscler Thromb Vasc Biol. 2004 Oct;24(10):1810-5. Epub 2004 Aug 12.@@Gladding P, Webster M, Zeng I, Farrell H, Stewart J, Ruygrok P, Ormiston J, El-Jack S, Armstrong G, Kay P, Scott D, Gunes A, Dahl ML: The pharmacogenetics and pharmacodynamics of clopidogrel response: an analysis from the PRINC (Plavix Response in Coronary Intervention) trial. JACC Cardiovasc Interv. 2008 Dec;1(6):620-7. doi: 10.1016/j.jcin.2008.09.008.@@Savi P, Zachayus JL, Delesque-Touchard N, Labouret C, Herve C, Uzabiaga MF, Pereillo JM, Culouscou JM, Bono F, Ferrara P, Herbert JM: The active metabolite of Clopidogrel disrupts P2Y12 receptor oligomers and partitions them out of lipid rafts. Proc Natl Acad Sci U S A. 2006 Jul 18;103(29):11069-74. Epub 2006 Jul 11.@@van Gestel MA, Heemskerk JW, Slaaf DW, Heijnen VV, Reneman RS, oude Egbrink MG: In vivo blockade of platelet ADP receptor P2Y12 reduces embolus and thrombus formation but not thrombus stability. Arterioscler Thromb Vasc Biol. 2003 Mar 1;23(3):518-23. Epub 2003 Jan 23."	Approved	Alpha amino acid esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Purinergic P2Y Receptor Antagonists; Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thienopyridines; Pyridines; Purinergic Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; P2Y12 Platelet Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Purinergic P2 Receptor Antagonists; Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Hematologic Agents; OCT1 inhibitors; Thiophenes; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl		Clopidogrel Action Pathway; Clopidogrel Metabolism Pathway	drug_metabolism; drug_action		11795	46507295	D00769	PA449053		DAP000178	Clopidogrel	CHEMBL1771	32968
DB00759	Tetracycline	BE0001092	PADI4	Q9UM07	PADI4_HUMAN		17964793	"Knuckley B, Luo Y, Thompson PR: Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem. 2008 Jan 15;16(2):739-45. Epub 2007 Oct 13."	Approved; Vet_approved; Withdrawn	Tetracyclines	Organic compounds; Phenylpropanoids and polyketides; Tetracyclines	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Agents that produce neuromuscular block (indirect); OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Naphthacenes; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 Enzyme Inhibitors; Protein Synthesis Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Otologicals; Ophthalmological and Otological Preparations; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Ophthalmologicals; Antibiotics for Topical Use; Tetracyclines; Sensory Organs	[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O		Tetracycline Action Pathway	drug_action		8683	46506693	D00201	PA451640		DAP001527	Tetracycline	CHEMBL1440	10395
DB00761	Potassium chloride	BE0000281	SLC12A2	P55011	S12A2_HUMAN		17139284; 17016423; 12920401	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hebert SC: Bartter syndrome. Curr Opin Nephrol Hypertens. 2003 Sep;12(5):527-32."	Approved; Withdrawn	Alkali metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides	Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds	[Cl-].[K+]					6485	46506038	D02060	PA451055		DAP000828	Potassium_chloride	CHEMBL1200731	8591
DB00761	Potassium chloride	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	binder	17139284; 17016423; 16093448; 16713495; 16807401; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fujiwara TM, Bichet DG: Molecular biology of hereditary diabetes insipidus. J Am Soc Nephrol. 2005 Oct;16(10):2836-46. Epub 2005 Aug 10.@@Bichet DG: Hereditary polyuric disorders: new concepts and differential diagnosis. Semin Nephrol. 2006 May;26(3):224-33.@@Pressler CA, Heinzinger J, Jeck N, Waldegger P, Pechmann U, Reinalter S, Konrad M, Beetz R, Seyberth HW, Waldegger S: Late-onset manifestation of antenatal Bartter syndrome as a result of residual function of the mutated renal Na+-K+-2Cl- co-transporter. J Am Soc Nephrol. 2006 Aug;17(8):2136-42. Epub 2006 Jun 28.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Alkali metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides	Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds	[Cl-].[K+]					6485	46506038	D02060	PA451055		DAP000828	Potassium_chloride	CHEMBL1200731	8591
DB00761	Potassium chloride	BE0000047	SLC12A5	Q9H2X9	S12A5_HUMAN		17134779; 16936706; 16949074; 17008020; 17418819	"Takayama C, Inoue Y: Developmental localization of potassium chloride co-transporter 2 (KCC2) in the Purkinje cells of embryonic mouse cerebellum. Neurosci Res. 2007 Feb;57(2):322-5. Epub 2006 Nov 28.@@Tornberg J, Segerstrale M, Kulesskaya N, Voikar V, Taira T, Airaksinen MS: KCC2-deficient mice show reduced sensitivity to diazepam, but normal alcohol-induced motor impairment, gaboxadol-induced sedation, and neurosteroid-induced hypnosis. Neuropsychopharmacology. 2007 Apr;32(4):911-8. Epub 2006 Aug 16.@@Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Takayama C, Inoue Y: Developmental localization of potassium chloride co-transporter 2 in granule cells of the early postnatal mouse cerebellum with special reference to the synapse formation. Neuroscience. 2006 Dec;143(3):757-67. Epub 2006 Sep 27.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16."	Approved; Withdrawn	Alkali metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides	Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds	[Cl-].[K+]					6485	46506038	D02060	PA451055		DAP000828	Potassium_chloride	CHEMBL1200731	8591
DB00761	Potassium chloride	BE0000140	SLC12A6	Q9UHW9	S12A6_HUMAN		16949074; 17418819; 16943364	"Misri S, Chimote AA, Adragna NC, Warwar R, Brown TL, Lauf PK: KCC isoforms in a human lens epithelial cell line (B3) and lens tissue extracts. Exp Eye Res. 2006 Nov;83(5):1287-94. Epub 2006 Sep 1.@@Capo-Aponte JE, Wang Z, Bildin VN, Iserovich P, Pan Z, Zhang F, Pokorny KS, Reinach PS: Functional and molecular characterization of multiple K-Cl cotransporter isoforms in corneal epithelial cells. Exp Eye Res. 2007 Jun;84(6):1090-103. Epub 2007 Feb 16.@@Klein T, Cooper TG, Yeung CH: The role of potassium chloride cotransporters in murine and human sperm volume regulation. Biol Reprod. 2006 Dec;75(6):853-8. Epub 2006 Aug 30."	Approved; Withdrawn	Alkali metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal salts; Alkali metal chlorides	Minerals; Blood Substitutes and Perfusion Solutions; Potassium Salt; Hemodialysis Solution; Replacement Preparations; I.V. Solution Additives; Mineral Supplements; Agents causing hyperkalemia; Blood and Blood Forming Organs; Chlorides; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Alimentary Tract and Metabolism; Potassium Compounds	[Cl-].[K+]					6485	46506038	D02060	PA451055		DAP000828	Potassium_chloride	CHEMBL1200731	8591
DB00762	Irinotecan	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	15170677; 15255290; 15975002; 16309825; 16454746; 11752352; 19852077; 9342501	"Yoshikawa M, Ikegami Y, Hayasaka S, Ishii K, Ito A, Sano K, Suzuki T, Togawa T, Yoshida H, Soda H, Oka M, Kohno S, Sawada S, Ishikawa T, Tanabe S: Novel camptothecin analogues that circumvent ABCG2-associated drug resistance in human tumor cells. Int J Cancer. 2004 Jul 20;110(6):921-7.@@Yoshikawa M, Ikegami Y, Sano K, Yoshida H, Mitomo H, Sawada S, Ishikawa T: Transport of SN-38 by the wild type of human ABC transporter ABCG2 and its inhibition by quercetin, a natural flavonoid. J Exp Ther Oncol. 2004 Apr;4(1):25-35.@@Yang X, Hu Z, Chan SY, Chan E, Goh BC, Duan W, Zhou S: Novel agents that potentially inhibit irinotecan-induced diarrhea. Curr Med Chem. 2005;12(11):1343-58.@@Nakagawa H, Saito H, Ikegami Y, Aida-Hyugaji S, Sawada S, Ishikawa T: Molecular modeling of new camptothecin analogues to circumvent ABCG2-mediated drug resistance in cancer. Cancer Lett. 2006 Mar 8;234(1):81-9. Epub 2005 Nov 23.@@Ishikawa T, Ikegami Y, Sano K, Nakagawa H, Sawada S: Transport mechanism-based drug molecular design: novel camptothecin analogues to circumvent ABCG2-associated drug resistance of human tumor cells. Curr Pharm Des. 2006;12(3):313-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ramesh M, Ahlawat P, Srinivas NR: Irinotecan and its active metabolite, SN-38: review of bioanalytical methods and recent update from clinical pharmacology perspectives. Biomed Chromatogr. 2010 Jan;24(1):104-23. doi: 10.1002/bmc.1345.@@Chabot GG: Clinical pharmacokinetics of irinotecan. Clin Pharmacokinet. 1997 Oct;33(4):245-59."	Approved; Investigational	Camptothecins	Organic compounds; Alkaloids and derivatives; Camptothecins	OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Disaccharides; Topoisomerase I Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; UGT1A1 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Oligosaccharides; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Polysaccharides; Cholinesterase substrates; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates	CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12		Irinotecan Action Pathway; Irinotecan Metabolism Pathway	drug_metabolism; drug_action		22885	46505871	D08086	PA450085		DAP001339	Irinotecan	CHEMBL481	51499
DB00763	Methimazole	BE0000507	TPO	P07202	PERT_HUMAN	substrate	10365684; 11241400; 12755690; 1320313; 1663395; 11752352; 30320502	"Sugawara M, Sugawara Y, Wen K: Methimazole and propylthiouracil increase cellular thyroid peroxidase activity and thyroid peroxidase mRNA in cultured porcine thyroid follicles. Thyroid. 1999 May;9(5):513-8.@@Manzon RG, Holmes JA, Youson JH: Variable effects of goitrogens in inducing precocious metamorphosis in sea lampreys (Petromyzon marinus). J Exp Zool. 2001 Apr 15;289(5):290-303.@@Ferreira AC, de Carvalho Cardoso L, Rosenthal D, de Carvalho DP: Thyroid Ca2+/NADPH-dependent H2O2 generation is partially inhibited by propylthiouracil and methimazole. Eur J Biochem. 2003 Jun;270(11):2363-8.@@Magnusson RP, Yu B, Brennan V: Effect of serum thyrotropin levels on the concentration of messenger RNA for thyroid peroxidase in the rat. Acta Endocrinol (Copenh). 1992 May;126(5):460-6.@@Chiovato L, Pinchera A: The microsomal/peroxidase antigen: modulation of its expression in thyroid cells. Autoimmunity. 1991;10(4):319-31.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Burch HB, Cooper DS: ANNIVERSARY REVIEW: Antithyroid drug therapy: 70 years later Eur J Endocrinol. 2018 Oct 12;179(5):R261-R274. doi: 10.1530/EJE-18-0678."	Approved	Imidazolethiones	Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Hormone Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2B6 Inhibitors (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (weak); Thyroid Products; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Thyroid Hormone Synthesis Inhibitor; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Thyroid Hormone Synthesis Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Immunosuppressive Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Sulfur Compounds; Antithyroid agents; Sulfur-Containing Imidazole Derivatives; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CN1C=CNC1=S					9107	46506536	D00401	PA450422		DNC001429	Thiamazole	CHEMBL1515	6835
DB00764	Mometasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	8439518; 10518812; 9793625; 12127907; 11752352	"Isogai M, Shimizu H, Esumi Y, Terasawa T, Okada T, Sugeno K: Binding affinities of mometasone furoate and related compounds including its metabolites for the glucocorticoid receptor of rat skin tissue. J Steroid Biochem Mol Biol. 1993 Feb;44(2):141-5.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Smith CL, Kreutner W: In vitro glucocorticoid receptor binding and transcriptional activation by topically active glucocorticoids. Arzneimittelforschung. 1998 Sep;48(9):956-60.@@Zhang X, Moilanen E, Adcock IM, Lindsay MA, Kankaanranta H: Divergent effect of mometasone on human eosinophil and neutrophil apoptosis. Life Sci. 2002 Aug 16;71(13):1523-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7504	46505288	D08227	PA450541		DAP001042	Mometasone	CHEMBL1201404	108118
DB00764	Mometasone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	15189034	"Madauss KP, Deng SJ, Austin RJ, Lambert MH, McLay I, Pritchard J, Short SA, Stewart EL, Uings IJ, Williams SP: Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes. J Med Chem. 2004 Jun 17;47(13):3381-7."	Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7504	46505288	D08227	PA450541		DAP001042	Mometasone	CHEMBL1201404	108118
DB00767	Benzquinamide	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 2905706; 6130555	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Maurer H, Pfleger K: Identification and differentiation of alkylamine antihistamines and their metabolites in urine by computerized gas chromatography-mass spectrometry. J Chromatogr. 1988 Aug 19;430(1):31-41.@@Niemegeers CJ: Antiemetic specificity of dopamine antagonists. Psychopharmacology (Berl). 1982;78(3):210-3."	Withdrawn	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia"	CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O						46506155	D00243	PA164749018		DAP000713	Benzquinamide	CHEMBL1201250	19041
DB00767	Benzquinamide	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Withdrawn	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia"	CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O						46506155	D00243	PA164749018		DAP000713	Benzquinamide	CHEMBL1201250	19041
DB00767	Benzquinamide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Withdrawn	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia"	CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O						46506155	D00243	PA164749018		DAP000713	Benzquinamide	CHEMBL1201250	19041
DB00767	Benzquinamide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Withdrawn	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"P-glycoprotein inhibitors; Anticholinergic Agents; Muscarinic Antagonists; Heterocyclic Compounds, Fused-Ring; Histamine Antagonists; Histamine H1 Antagonists; Agents producing tachycardia"	CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O						46506155	D00243	PA164749018		DAP000713	Benzquinamide	CHEMBL1201250	19041
DB00768	Olopatadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	15942272; 12046981; 8951675; 15646365; 11496828; 20482305; 20406593; 20402382; 11752352	"Tamura T, Masaki S, Ohmori K, Karasawa A: Effect of olopatadine and other histamine H1 receptor antagonists on the skin inflammation induced by repeated topical application of oxazolone in mice. Pharmacology. 2005 Dec;75(1):45-52. Epub 2005 Jun 7.@@Ohmori K, Hayashi K, Kaise T, Ohshima E, Kobayashi S, Yamazaki T, Mukouyama A: Pharmacological, pharmacokinetic and clinical properties of olopatadine hydrochloride, a new antiallergic drug. Jpn J Pharmacol. 2002 Apr;88(4):379-97.@@Yanni JM, Stephens DJ, Miller ST, Weimer LK, Graff G, Parnell D, Lang LS, Spellman JM, Brady MT, Gamache DA: The in vitro and in vivo ocular pharmacology of olopatadine (AL-4943A), an effective anti-allergic/antihistaminic agent. J Ocul Pharmacol Ther. 1996 Winter;12(4):389-400.@@Ohmori K, Hasegawa K, Tamura T, Miyake K, Matsubara M, Masaki S, Karasawa A, Urayama N, Horikoshi K, Kajita J, Hasegawa M, Taniguchi K, Komada T, Kawamoto Y: Properties of olopatadine hydrochloride, a new antiallergic/antihistaminic drug. Arzneimittelforschung. 2004;54(12):809-29.@@Ohmori K, Ikemura T, Kobayashi H, Mukouyama A: [Pharmacological, pharmacokinetic and clinical properties of olopatadine hydrochloride' (olopatadine), an antiallergic drug]. Nihon Yakurigaku Zasshi. 2001 Jul;118(1):51-8.@@Roland PS, Ryan MW, Wall GM: Olopatadine nasal spray for the treatment of seasonal allergic rhinitis in patients aged 6 years and older. Expert Opin Pharmacother. 2010 Jun;11(9):1559-67. doi: 10.1517/14656566.2010.485609.@@Kaliner MA, Oppenheimer J, Farrar JR: Comprehensive review of olopatadine: the molecule and its clinical entities. Allergy Asthma Proc. 2010 Mar-Apr;31(2):112-9. doi: 10.2500/aap.2010.31.3317.@@Roland PS, Marple BF, Wall GM: Olopatadine nasal spray for the treatment of allergic rhinitis. Expert Rev Clin Immunol. 2010 Mar;6(2):197-204.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2		Olopatadine H1-Antihistamine Action	drug_action		11560	46506025		PA450698		DAP001062	Olopatadine	CHEMBL1189432	135391
DB00768	Olopatadine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	16197656	"Rosenwasser LJ, O'Brien T, Weyne J: Mast cell stabilization and anti-histamine effects of olopatadine ophthalmic solution: a review of pre-clinical and clinical research. Curr Med Res Opin. 2005 Sep;21(9):1377-87. doi: 10.1185/030079905X56547."	Approved	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Anti-Allergic Agents; Sensory System Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; P-glycoprotein substrates; Dibenzoxepins; Nasal Preparations; Heterocyclic Compounds, Fused-Ring; Decreased Histamine Release; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Mast Cell Stabilizers; Antiallergic Agents, Excl. Corticosteroids; Central Nervous System Agents; Decongestants and Antiallergics; Ophthalmologicals; Antihistamine Drugs; Neurotransmitter Agents; Histamine Agents; Sensory Organs"	CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2		Olopatadine H1-Antihistamine Action	drug_action		11560	46506025		PA450698		DAP001062	Olopatadine	CHEMBL1189432	135391
DB00769	Hydrocortamate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	14046902	CHADFIELD HW: CORTICOSTEROID THERAPY IN CURRENT DERMATOLOGICAL PRACTICE. Postgrad Med J. 1963 Sep;39:526-33. doi: 10.1136/pgmj.39.455.526.	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C						46509076		PA164745515		DAP001187	Hydrocortamate	CHEMBL1201263	
DB00770	Alprostadil	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	9313928	"Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24."	Approved; Investigational			"Inflammation Mediators; Fatty Acids, Monounsaturated; OAT3/SLC22A8 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Cardiovascular Agents; Prostaglandins E; Urological Agents; Venous Vasodilation; Fatty Acids; Genito Urinary System and Sex Hormones; Prostaglandin E1 Agonist; Biological Factors; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandin Receptor Agonists; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Urologicals; Genitourinary Agents; Prostaglandins, Synthetic; Miscellaneous Vasodilatating Agents; Genitourinary Arterial Vasodilation; Cardiac Therapy; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated; Drugs Used in Erectile Dysfunction"	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O					7335	46508029	D00180	PA448334		DAP001490	Prostaglandin_E1	CHEMBL495	598
DB00772	Malathion	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	17139284; 17016423; 16782587; 17364237; 16716398; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ramos ZR, Fortunato JJ, Agostinho FR, Martins MR, Correa M, Schetinger MR, Dal-Pizzol F, Quevedo J: Influence of malathion on acetylcholinesterase activity in rats submitted to a forced swimming test. Neurotox Res. 2006 Jun;9(4):285-90.@@Ahmed M, Rocha JB, Mazzanti CM, Morsch AL, Cargnelutti D, Correa M, Loro V, Morsch VM, Schetinger MR: Malathion, carbofuran and paraquat inhibit Bungarus sindanus (krait) venom acetylcholinesterase and human serum butyrylcholinesterase in vitro. Ecotoxicology. 2007 May;16(4):363-9. Epub 2007 Mar 16.@@da Silva AP, Meotti FC, Santos AR, Farina M: Lactational exposure to malathion inhibits brain acetylcholinesterase in mice. Neurotoxicology. 2006 Dec;27(6):1101-5. Epub 2006 Apr 28.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Fatty acid esters	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Organothiophosphates; Pesticides; Cholinergic Agents; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Potential QTc-Prolonging Agents; Ectoparasiticides, Incl. Scabicides; Organothiophosphorus Compounds; Compounds used in a research, industrial, or household setting; Cholinesterase Inhibitors; Neurotransmitter Agents; Agrochemicals; Sulfur Compounds; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Cytochrome P-450 CYP1A2 Substrates"	CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC						46505287	D00534	PA164748092		DAP000895	Malathion	CHEMBL1200468	6606
DB00773	Etoposide	BE0002425	TOP2B	Q02880	TOP2B_HUMAN	inhibitor	17578914	"Azarova AM, Lyu YL, Lin CP, Tsai YC, Lau JY, Wang JC, Liu LF: Roles of DNA topoisomerase II isozymes in chemotherapy and secondary malignancies. Proc Natl Acad Sci U S A. 2007 Jun 26;104(26):11014-9. Epub 2007 Jun 19."	Approved	Podophyllotoxins	"Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins"	"Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Podophyllotoxin Derivatives; Cytochrome P-450 Enzyme Inducers; Glucosides; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A4 Inducers; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Podophyllotoxin; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates; Naphthalenes; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O		Etoposide Action Pathway; Etoposide Metabolism Pathway	drug_metabolism; drug_action		1998	46505434	D00125	PA449552		DAP000786	Etoposide	CHEMBL44657	4179
DB00774	Hydroflumethiazide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F		Hydroflumethiazide Action Pathway	drug_action			46505220	D00654	PA164752557		DAP000747	Hydroflumethiazide	CHEMBL1763	5495
DB00774	Hydroflumethiazide	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inducer	2832105	"Goldenberg K, Wergowske G, Chatterjee S, Kezdi P: Effects of thiazide on erythrocyte sodium and potassium concentrations and Na+K+ATPase in hypertensive patients. Clin Exp Hypertens A. 1988;10(1):91-103. doi: 10.3109/10641968809046801."	Approved; Investigational; Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F		Hydroflumethiazide Action Pathway	drug_action			46505220	D00654	PA164752557		DAP000747	Hydroflumethiazide	CHEMBL1763	5495
DB00774	Hydroflumethiazide	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN	inducer	29188803	"Martin P, Moncada M, Kuntamallappanavar G, Dopico AM, Milesi V: Activation of human smooth muscle BK channels by hydrochlorothiazide requires cell integrity and the presence of BK beta1 subunit. Acta Pharmacol Sin. 2018 Mar;39(3):371-381. doi: 10.1038/aps.2017.133. Epub 2017 Nov 30."	Approved; Investigational; Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F		Hydroflumethiazide Action Pathway	drug_action			46505220	D00654	PA164752557		DAP000747	Hydroflumethiazide	CHEMBL1763	5495
DB00774	Hydroflumethiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	19119014	"Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Approved; Investigational; Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F		Hydroflumethiazide Action Pathway	drug_action			46505220	D00654	PA164752557		DAP000747	Hydroflumethiazide	CHEMBL1763	5495
DB00774	Hydroflumethiazide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	19119014	"Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Approved; Investigational; Withdrawn	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F		Hydroflumethiazide Action Pathway	drug_action			46505220	D00654	PA164752557		DAP000747	Hydroflumethiazide	CHEMBL1763	5495
DB00776	Oxcarbazepine	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	28842369; 10845729; 12737829	"Thomas AM, Atkinson TJ: Old Friends With New Faces: Are Sodium Channel Blockers the Future of Adjunct Pain Medication Management? J Pain. 2018 Jan;19(1):1-9. doi: 10.1016/j.jpain.2017.08.001. Epub 2017 Aug 24.@@Shorvon S: Oxcarbazepine: a review. Seizure. 2000 Mar;9(2):75-9. doi: 10.1053/seiz.2000.0391.@@Schmidt D, Sachdeo R: Oxcarbazepine for Treatment of Partial Epilepsy: A Review and Recommendations for Clinical Use. Epilepsy Behav. 2000 Dec;1(6):396-405. doi: 10.1006/ebeh.2000.0126."	Approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Sodium Channel Blockers; Carboxamide Derivatives; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Drugs causing inadvertant photosensitivity; Dibenzazepines; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2		Carbamazepine Metabolism Pathway	drug_metabolism		11984	46507580	D00533	PA450732		DAP000528	Oxcarbazepine	CHEMBL1068	32624
DB00777	Propiomazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	14035428; 11752352; 19110200	"KRAKOWSKI AJ: Propiomazine for control of insomnia in nervous disorders. Am J Psychiatry. 1962 Nov;119:461-2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds"	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1		Propiomazine H1-Antihistamine Action	drug_action			46506205	D02361	PA164778685		DAP000327	Propiomazine	CHEMBL1201210	8770
DB00777	Propiomazine	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	19110200; 19042969; 12678691; 14488364	"Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Page CB, Duffull SB, Whyte IM, Isbister GK: Promethazine overdose: clinical effects, predicting delirium and the effect of charcoal. QJM. 2009 Feb;102(2):123-31. doi: 10.1093/qjmed/hcn153. Epub 2008 Nov 28.@@Sharma A, Hamelin BA: Classic histamine H1 receptor antagonists: a critical review of their metabolic and pharmacokinetic fate from a bird's eye view. Curr Drug Metab. 2003 Apr;4(2):105-29. doi: 10.2174/1389200033489523.@@POWE CE, KIEM IM, FROMHAGEN C, CAVANAGH D: Propiomazine hydrochloride in obstetrical analgesia. A controlled study of 520 patients. JAMA. 1962 Jul 28;181:290-4. doi: 10.1001/jama.1962.03050300010002."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds"	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1		Propiomazine H1-Antihistamine Action	drug_action			46506205	D02361	PA164778685		DAP000327	Propiomazine	CHEMBL1201210	8770
DB00777	Propiomazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	19110200; 14488364	"Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@POWE CE, KIEM IM, FROMHAGEN C, CAVANAGH D: Propiomazine hydrochloride in obstetrical analgesia. A controlled study of 520 patients. JAMA. 1962 Jul 28;181:290-4. doi: 10.1001/jama.1962.03050300010002."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds"	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1		Propiomazine H1-Antihistamine Action	drug_action			46506205	D02361	PA164778685		DAP000327	Propiomazine	CHEMBL1201210	8770
DB00777	Propiomazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	18471899; 19110200; 22507664	"Strange PG: Antipsychotic drug action: antagonism, inverse agonism or partial agonism. Trends Pharmacol Sci. 2008 Jun;29(6):314-21. doi: 10.1016/j.tips.2008.03.009. Epub 2008 May 28.@@Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Adolph O, Koster S, Georgieff M, Georgieff EM, Moulig W, Fohr KJ: Promethazine inhibits NMDA-induced currents - new pharmacological aspects of an old drug. Neuropharmacology. 2012 Aug;63(2):280-91. doi: 10.1016/j.neuropharm.2012.03.006. Epub 2012 Apr 7."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds"	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1		Propiomazine H1-Antihistamine Action	drug_action			46506205	D02361	PA164778685		DAP000327	Propiomazine	CHEMBL1201210	8770
DB00777	Propiomazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	19110200; 12678691; 22507664	"Kim DH, Maneen MJ, Stahl SM: Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia. Neurotherapeutics. 2009 Jan;6(1):78-85. doi: 10.1016/j.nurt.2008.10.020.@@Sharma A, Hamelin BA: Classic histamine H1 receptor antagonists: a critical review of their metabolic and pharmacokinetic fate from a bird's eye view. Curr Drug Metab. 2003 Apr;4(2):105-29. doi: 10.2174/1389200033489523.@@Adolph O, Koster S, Georgieff M, Georgieff EM, Moulig W, Fohr KJ: Promethazine inhibits NMDA-induced currents - new pharmacological aspects of an old drug. Neuropharmacology. 2012 Aug;63(2):280-91. doi: 10.1016/j.neuropharm.2012.03.006. Epub 2012 Apr 7."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonin Receptor Antagonists; Antidepressive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Muscarinic Antagonists; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Sulfur Compounds"	CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1		Propiomazine H1-Antihistamine Action	drug_action			46506205	D02361	PA164778685		DAP000327	Propiomazine	CHEMBL1201210	8770
DB00778	Roxithromycin	BE0001032	ABCB1	P08183	MDR1_HUMAN		16595573; 17164692	"Beltinger J, Haschke M, Kaufmann P, Michot M, Terracciano L, Krahenbuhl S: Hepatic veno-occlusive disease associated with immunosuppressive cyclophosphamide dosing and roxithromycin. Ann Pharmacother. 2006 Apr;40(4):767-70. Epub 2006 Mar 7.@@Kaufmann P, Haschke M, Torok M, Beltinger J, Bogman K, Wenk M, Terracciano L, Krahenbuhl S: Mechanisms of venoocclusive disease resulting from the combination of cyclophosphamide and roxithromycin. Ther Drug Monit. 2006 Dec;28(6):766-74."	Approved; Investigational; Withdrawn	Aminoglycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Erythromycin and similars; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; OATP1B3 inhibitors; Macrolides, Lincosamides and Streptogramins; Lactones; Polyketides; Antibacterials for Systemic Use; Cytochrome P-450 CYP3A4 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents"	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O		Roxithromycin Action Pathway	drug_action			46507676	D01710	PA164750505		DAP000885	Roxithromycin	CHEMBL1214185	9478
DB00780	Phenelzine	BE0002196	MAOB	P27338	AOFB_HUMAN	antagonist	11752352; 19201819; 18700056; 17912044; 9829163; 14574774; 7092487; 16370964	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chiche F, Le Guillou M, Chetrite G, Lasnier F, Dugail I, Carpene C, Moldes M, Feve B: Antidepressant phenelzine alters differentiation of cultured human and mouse preadipocytes. Mol Pharmacol. 2009 May;75(5):1052-61. doi: 10.1124/mol.108.052563. Epub 2009 Feb 6.@@Chenu F, El Mansari M, Blier P: Long-term administration of monoamine oxidase inhibitors alters the firing rate and pattern of dopamine neurons in the ventral tegmental area. Int J Neuropsychopharmacol. 2009 May;12(4):475-85. doi: 10.1017/S1461145708009218. Epub 2008 Aug 13.@@Wooters TE, Bardo MT: The monoamine oxidase inhibitor phenelzine enhances the discriminative stimulus effect of nicotine in rats. Behav Pharmacol. 2007 Nov;18(7):601-8.@@Volz HP, Gleiter CH: Monoamine oxidase inhibitors. A perspective on their use in the elderly. Drugs Aging. 1998 Nov;13(5):341-55.@@Nolen WA: [Classical monoamine oxidase inhibitor: not registered for, but still a place in the treatment of depression]. Ned Tijdschr Geneeskd. 2003 Oct 4;147(40):1940-3.@@Pickar D, Murphy DL, Cohen RM, Campbell IC, Lipper S: Selective and nonselective monoamine oxidase inhibitors: behavioral disturbances during their administration to depressed patients. Arch Gen Psychiatry. 1982 May;39(5):535-40.@@McIntyre RS, Soczynska JK, Konarski JZ, Kennedy SH: The effect of antidepressants on glucose homeostasis and insulin sensitivity: synthesis and mechanisms. Expert Opin Drug Saf. 2006 Jan;5(1):157-68."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Hydrazines; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System"	NNCCC1=CC=CC=C1					11355	46507348	D08349	PA450903		DAP000578	Phenelzine	CHEMBL1089	8123
DB00780	Phenelzine	BE0000253	ABAT	P80404	GABT_HUMAN	inhibitor	17768678; 11775064; 7931216; 1610412; 8749840; 19203467; 1881457	"MacKenzie EM, Grant SL, Baker GB, Wood PL: Phenelzine causes an increase in brain ornithine that is prevented by prior monoamine oxidase inhibition. Neurochem Res. 2008 Mar;33(3):430-6. Epub 2007 Aug 31.@@Tanay VA, Parent MB, Wong JT, Paslawski T, Martin IL, Baker GB: Effects of the antidepressant/antipanic drug phenelzine on alanine and alanine transaminase in rat brain. Cell Mol Neurobiol. 2001 Aug;21(4):325-39.@@McKenna KF, McManus DJ, Baker GB, Coutts RT: Chronic administration of the antidepressant phenelzine and its N-acetyl analogue: effects on GABAergic function. J Neural Transm Suppl. 1994;41:115-22.@@McManus DJ, Baker GB, Martin IL, Greenshaw AJ, McKenna KF: Effects of the antidepressant/antipanic drug phenelzine on GABA concentrations and GABA-transaminase activity in rat brain. Biochem Pharmacol. 1992 Jun 9;43(11):2486-9.@@Todd KG, Baker GB: GABA-elevating effects of the antidepressant/antipanic drug phenelzine in brain: effects of pretreatment with tranylcypromine, (-)-deprenyl and clorgyline. J Affect Disord. 1995 Dec 13;35(3):125-9.@@Todd KG, Baker GB: Neurochemical effects of the monoamine oxidase inhibitor phenelzine on brain GABA and alanine: A comparison with vigabatrin. J Pharm Pharm Sci. 2008 May 16;11(2):14s-21s.@@McKenna KF, Baker GB, Coutts RT: N2-acetylphenelzine: effects on rat brain GABA, alanine and biogenic amines. Naunyn Schmiedebergs Arch Pharmacol. 1991 May;343(5):478-82."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Hydrazines; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System"	NNCCC1=CC=CC=C1					11355	46507348	D08349	PA450903		DAP000578	Phenelzine	CHEMBL1089	8123
DB00780	Phenelzine	BE0002166	GPT2	Q8TD30	ALAT2_HUMAN	inhibitor	19203467; 11775064; 1881457	"Todd KG, Baker GB: Neurochemical effects of the monoamine oxidase inhibitor phenelzine on brain GABA and alanine: A comparison with vigabatrin. J Pharm Pharm Sci. 2008 May 16;11(2):14s-21s.@@Tanay VA, Parent MB, Wong JT, Paslawski T, Martin IL, Baker GB: Effects of the antidepressant/antipanic drug phenelzine on alanine and alanine transaminase in rat brain. Cell Mol Neurobiol. 2001 Aug;21(4):325-39.@@McKenna KF, Baker GB, Coutts RT: N2-acetylphenelzine: effects on rat brain GABA, alanine and biogenic amines. Naunyn Schmiedebergs Arch Pharmacol. 1991 May;343(5):478-82."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Hydrazines; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System"	NNCCC1=CC=CC=C1					11355	46507348	D08349	PA450903		DAP000578	Phenelzine	CHEMBL1089	8123
DB00783	Estradiol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 2011412; 24971815; 23884115	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Paterni I, Granchi C, Katzenellenbogen JA, Minutolo F: Estrogen receptors alpha (ERalpha) and beta (ERbeta): subtype-selective ligands and clinical potential. Steroids. 2014 Nov;90:13-29. doi: 10.1016/j.steroids.2014.06.012. Epub 2014 Jun 24.@@Banerjee M, Robbins D, Chen T: Modulation of xenobiotic receptors by steroids. Molecules. 2013 Jun 24;18(7):7389-406. doi: 10.3390/molecules18077389."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic		7411	46508115	D00105	PA449503		DAP000854	Estradiol_(medication)	CHEMBL135	4083
DB00783	Estradiol	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412; 24971815; 23882126	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Paterni I, Granchi C, Katzenellenbogen JA, Minutolo F: Estrogen receptors alpha (ERalpha) and beta (ERbeta): subtype-selective ligands and clinical potential. Steroids. 2014 Nov;90:13-29. doi: 10.1016/j.steroids.2014.06.012. Epub 2014 Jun 24.@@Jiang Y, Gong P, Madak-Erdogan Z, Martin T, Jeyakumar M, Carlson K, Khan I, Smillie TJ, Chittiboyina AG, Rotte SC, Helferich WG, Katzenellenbogen JA, Katzenellenbogen BS: Mechanisms enforcing the estrogen receptor beta selectivity of botanical estrogens. FASEB J. 2013 Nov;27(11):4406-18. doi: 10.1096/fj.13-234617. Epub 2013 Jul 23."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic		7411	46508115	D00105	PA449503		DAP000854	Estradiol_(medication)	CHEMBL135	4083
DB00783	Estradiol	BE0000956	NR1I2	O75469	NR1I2_HUMAN	binder	17327420; 23884115; 26417296	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27.@@Banerjee M, Robbins D, Chen T: Modulation of xenobiotic receptors by steroids. Molecules. 2013 Jun 24;18(7):7389-406. doi: 10.3390/molecules18077389.@@Wang J, Dai S, Guo Y, Xie W, Zhai Y: Biology of PXR: role in drug-hormone interactions. EXCLI J. 2014 Jul 7;13:728-39. eCollection 2014."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic		7411	46508115	D00105	PA449503		DAP000854	Estradiol_(medication)	CHEMBL135	4083
DB00783	Estradiol	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	binder	11517245; 21451042	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8.@@Jin X, Steinbach JH: A portable site: a binding element for 17beta-estradiol can be placed on any subunit of a nicotinic alpha4beta2 receptor. J Neurosci. 2011 Mar 30;31(13):5045-54. doi: 10.1523/JNEUROSCI.4802-10.2011."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic		7411	46508115	D00105	PA449503		DAP000854	Estradiol_(medication)	CHEMBL135	4083
DB00783	Estradiol	BE0003446	GPER1	Q99527	GPER1_HUMAN	binder	17088055; 17222505	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7.@@Prossnitz ER, Arterburn JB, Sklar LA: GPR30: A G protein-coupled receptor for estrogen. Mol Cell Endocrinol. 2007 Feb;265-266:138-42. doi: 10.1016/j.mce.2006.12.010. Epub 2007 Jan 11."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Intravaginal Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Androgens and Estrogens; Adrenal Cortex Hormones; Gonadal Hormones; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Hypothalamic Hormones; UGT1A1 Substrates; Antiandrogens and Estrogens; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism; Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic		7411	46508115	D00105	PA449503		DAP000854	Estradiol_(medication)	CHEMBL135	4083
DB00785	Cryptenamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 5674398; 5918523	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Jandhyala ML, Buckley JP: Mechanisms of action of cryptenamine. J Pharm Sci. 1968 Sep;57(9):1576-82.@@Jandhyala BS, Buckley JP: Pharmacology and mechanism of action of cryptenamine. J Pharm Sci. 1966 Sep;55(9):888-93."	Approved			"Cardiovascular Agents; Cevanes; Heterocyclic Compounds, Fused-Ring; Antihypertensive Agents; Alkaloids; Veratrum Alkaloids"							46507822		PA164749510		DAP000479	Cryptenamine		42618
DB00786	Marimastat	BE0000920	MMP1	P03956	MMP1_HUMAN	inhibitor	10852638; 10669951; 11752352	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0000642	MMP2	P08253	MMP2_HUMAN	inhibitor	11752352; 10460642; 15056115; 11790786; 12527923; 15748894	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Treharne GD, Boyle JR, Goodall S, Loftus IM, Bell PR, Thompson MM: Marimastat inhibits elastin degradation and matrix metalloproteinase 2 activity in a model of aneurysm disease. Br J Surg. 1999 Aug;86(8):1053-8.@@Fanchon S, Bourd K, Septier D, Everts V, Beertsen W, Menashi S, Goldberg M: Involvement of matrix metalloproteinases in the onset of dentin mineralization. Eur J Oral Sci. 2004 Apr;112(2):171-6.@@Bernardo MM, Brown S, Li ZH, Fridman R, Mobashery S: Design, synthesis, and characterization of potent, slow-binding inhibitors that are selective for gelatinases. J Biol Chem. 2002 Mar 29;277(13):11201-7. Epub 2002 Jan 14.@@Shinoda K, Shibuya M, Hibino S, Ono Y, Matsuda K, Takemura A, Zou D, Kokubo Y, Takechi A, Kudoh S: A novel matrix metalloproteinase inhibitor, FYK-1388 suppresses tumor growth, metastasis and angiogenesis by human fibrosarcoma cell line. Int J Oncol. 2003 Feb;22(2):281-8.@@Bourd-Boittin K, Fridman R, Fanchon S, Septier D, Goldberg M, Menashi S: Matrix metalloproteinase inhibition impairs the processing, formation and mineralization of dental tissues during mouse molar development. Exp Cell Res. 2005 Apr 1;304(2):493-505. Epub 2005 Jan 11."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0001116	MMP3	P08254	MMP3_HUMAN	antagonist	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003690	MMP7	P09237	MMP7_HUMAN	antagonist	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0001198	MMP12	P39900	MMP12_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0000966	MMP13	P45452	MMP13_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0001637	MMP16	P51512	MMP16_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003694	MMP17	Q9ULZ9	MMP17_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003696	MMP20	O60882	MMP20_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003697	MMP21	Q8N119	MMP21_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003699	MMP24	Q9Y5R2	MMP24_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0009742	MMP25	Q9NPA2	MMP25_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00786	Marimastat	BE0003701	MMP26	Q9NRE1	MMP26_HUMAN	inhibitor	10852638; 10669951	"Heath EI, Grochow LB: Clinical potential of matrix metalloprotease inhibitors in cancer therapy. Drugs. 2000 May;59(5):1043-55.@@Belotti D, Paganoni P, Giavazzi R: MMP inhibitors: experimental and clinical studies. Int J Biol Markers. 1999 Oct-Dec;14(4):232-8."	Investigational	Secondary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Metalloendopeptidases, antagonists & inhibitors"	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C						46505547		PA164748329		DCL000005	Marimastat	CHEMBL279785	
DB00790	Perindopril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	16370923; 19379059; 11752352; 11929321	"Alfakih K, Hall AS: Perindopril. Expert Opin Pharmacother. 2006 Jan;7(1):63-71.@@Brugts JJ, Ferrari R, Simoons ML: Angiotensin-converting enzyme inhibition by perindopril in the treatment of cardiovascular disease. Expert Rev Cardiovasc Ther. 2009 Apr;7(4):345-60. doi: 10.1586/erc.09.2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Amines; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Lipid Modifying Agents; Indoles; Hydrocarbons, Acyclic; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Alkanes; Heterocyclic Compounds, Fused-Ring; Cholinesterase Inhibitors; Butanes"	[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O		Perindopril Action Pathway	drug_action		16100	46508767	D03753	PA450877		DNC001114	Perindopril	CHEMBL1581	54552
DB00790	Perindopril	BE0009094	SFRP4	Q6FHJ7	SFRP4_HUMAN	inhibitor	25019556	"Bukhari SA, Shamshari WA, Ur-Rahman M, Zia-Ul-Haq M, Jaafar HZ: Computer aided screening of secreted frizzled-related protein 4 (SFRP4): a potential control for diabetes mellitus. Molecules. 2014 Jul 11;19(7):10129-36. doi: 10.3390/molecules190710129."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Amines; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Lipid Modifying Agents; Indoles; Hydrocarbons, Acyclic; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Agents causing hyperkalemia; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Alkanes; Heterocyclic Compounds, Fused-Ring; Cholinesterase Inhibitors; Butanes"	[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O		Perindopril Action Pathway	drug_action		16100	46508767	D03753	PA450877		DNC001114	Perindopril	CHEMBL1581	54552
DB00792	Tripelennamine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 6759742; 996853; 3253717; 10208755; 9226736	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Shimizu K, Nakajyo S, Urakawa N: [Drug sensitivity of the isolated stomach and ileal preparation from a vole]. Nihon Heikatsukin Gakkai Zasshi. 1982 May;18(2):93-103.@@Chiba S: Blocking effect of tripelennamine on histamine--induced positive chronotropic and inotropic responses of the dog atrium. Tohoku J Exp Med. 1976 Nov;120(3):299-300.@@Sansone M: Antihistaminic-opioid combination: effect on locomotor activity in mice. Pol J Pharmacol Pharm. 1988 Sep-Oct;40(5):515-23.@@Ohta Y, Kobayashi T, Ishiguro I: Role of endogenous serotonin and histamine in the pathogenesis of gastric mucosal lesions in unanaesthetised rats with a single treatment of compound 48/80, a mast cell degranulator. Pharmacol Res. 1999 Apr;39(4):261-7.@@Suzuki T, Mori T, Tsuji M, Misawa M, Onodera K: Interactions between H1-antagonists and opioids: a drug discrimination study. Psychopharmacology (Berl). 1997 Jun;131(4):346-53."	Approved; Vet_approved	2-benzylaminopyridines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Amines; Histamine H1 Antagonists; Ethylenediamine Derivatives; Dermatologicals; Pyridines; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Substituted Ethylene Diamines; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Polyamines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Diamines; Aminopyridines; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Ethylenediamines"	CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1		Tripelennamine H1-Antihistamine Action	drug_action		20364	46506125		PA164764429		DAP000328	Tripelennamine	CHEMBL1241	10847
DB00794	Primidone	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	24385718	"Hedera P, Cibulcik F, Davis TL: Pharmacotherapy of essential tremor. J Cent Nerv Syst Dis. 2013 Dec 22;5:43-55. doi: 10.4137/JCNSD.S6561."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00794	Primidone	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; Nicotinic Antagonists; Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP1A2 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Enzyme Inducing Antiepileptic Drugs; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); GABA Modulators; Barbiturates; Pyrimidinones; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CCC1(C(=O)NCNC1=O)C1=CC=CC=C1					8265	46507775	D00474	PA451105		DAP000678	Primidone	CHEMBL856	8691
DB00795	Sulfasalazine	BE0000069	ACAT1	P24752	THIL_HUMAN	inhibitor	17139284; 17016423; 1357724	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Faison LD, White HL: Sulfasalazine inhibits lyso-PAF: acetyl-COA acetyltransferase. Prostaglandins. 1992 Sep;44(3):245-9."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1					8138	46505451	D00448	PA451547		DAP000153	Sulfasalazine	CHEMBL421	9524
DB00795	Sulfasalazine	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN	inhibitor	11587223	"Gout PW, Buckley AR, Simms CR, Bruchovsky N: Sulfasalazine, a potent suppressor of lymphoma growth by inhibition of the x(c)- cystine transporter: a new action for an old drug. Leukemia. 2001 Oct;15(10):1633-40."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1					8138	46505451	D00448	PA451547		DAP000153	Sulfasalazine	CHEMBL421	9524
DB00795	Sulfasalazine	BE0001086	NFKB1	P19838	NFKB1_HUMAN	inhibitor	9486988	"Wahl C, Liptay S, Adler G, Schmid RM: Sulfasalazine: a potent and specific inhibitor of nuclear factor kappa B. J Clin Invest. 1998 Mar 1;101(5):1163-74. doi: 10.1172/JCI992."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1					8138	46505451	D00448	PA451547		DAP000153	Sulfasalazine	CHEMBL421	9524
DB00795	Sulfasalazine	BE0001154	IKBKB	O14920	IKKB_HUMAN	inhibitor	11054378; 9486988; 12950415; 11151876	"Weber CK, Liptay S, Wirth T, Adler G, Schmid RM: Suppression of NF-kappaB activity by sulfasalazine is mediated by direct inhibition of IkappaB kinases alpha and beta. Gastroenterology. 2000 Nov;119(5):1209-18.@@Wahl C, Liptay S, Adler G, Schmid RM: Sulfasalazine: a potent and specific inhibitor of nuclear factor kappa B. J Clin Invest. 1998 Mar 1;101(5):1163-74. doi: 10.1172/JCI992.@@Allgayer H: Review article: mechanisms of action of mesalazine in preventing colorectal carcinoma in inflammatory bowel disease. Aliment Pharmacol Ther. 2003 Sep;18 Suppl 2:10-4.@@Bantel H, Berg C, Vieth M, Stolte M, Kruis W, Schulze-Osthoff K: Mesalazine inhibits activation of transcription factor NF-kappaB in inflamed mucosa of patients with ulcerative colitis. Am J Gastroenterol. 2000 Dec;95(12):3452-7."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1					8138	46505451	D00448	PA451547		DAP000153	Sulfasalazine	CHEMBL421	9524
DB00795	Sulfasalazine	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	15824083; 33468700; 18544567; 18077625; 16939423	"Rousseaux C, Lefebvre B, Dubuquoy L, Lefebvre P, Romano O, Auwerx J, Metzger D, Wahli W, Desvergne B, Naccari GC, Chavatte P, Farce A, Bulois P, Cortot A, Colombel JF, Desreumaux P: Intestinal antiinflammatory effect of 5-aminosalicylic acid is dependent on peroxisome proliferator-activated receptor-gamma. J Exp Med. 2005 Apr 18;201(8):1205-15. Epub 2005 Apr 11.@@Cevallos SA, Lee JY, Velazquez EM, Foegeding NJ, Shelton CD, Tiffany CR, Parry BH, Stull-Lane AR, Olsan EE, Savage HP, Nguyen H, Ghanaat SS, Byndloss AJ, Agu IO, Tsolis RM, Byndloss MX, Baumler AJ: 5-Aminosalicylic Acid Ameliorates Colitis and Checks Dysbiotic Escherichia coli Expansion by Activating PPAR-gamma Signaling in the Intestinal Epithelium. mBio. 2021 Jan 19;12(1):e03227-20. doi: 10.1128/mBio.03227-20.@@Schwab M, Reynders V, Loitsch S, Shastri YM, Steinhilber D, Schroder O, Stein J: PPARgamma is involved in mesalazine-mediated induction of apoptosis and inhibition of cell growth in colon cancer cells. Carcinogenesis. 2008 Jul;29(7):1407-14. doi: 10.1093/carcin/bgn118. Epub 2008 Jun 9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; OATP1B1/SLCO1B1 Inhibitors; Anti-Inflammatory Agents; Nephrotoxic agents; Amides; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; BCRP/ABCG2 Inhibitors; Sulfones; Agents causing hyperkalemia; Salicylates; Sulfonamides; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Aminosalicylate; OATP1B3 inhibitors; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; NTCP Inhibitors; Agents that produce hypertension; Methemoglobinemia Associated Agents; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Sulfur Compounds; Antirheumatic Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1					8138	46505451	D00448	PA451547		DAP000153	Sulfasalazine	CHEMBL421	9524
DB00797	Tolazoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17139284; 17016423; 16368348; 11938943	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Teskin O, Uydes-Dogan BS, Enc Y, Alp FI, Kaleli D, Keser S, Iyigun T, Bilgen F, Dagsali S, Ozdemir O: Comparative effects of tolazoline and nitroprusside on human isolated radial artery. Ann Thorac Surg. 2006 Jan;81(1):125-31.@@Song W, Zhang Y, Xia L, Liu G: [Effects of some mexiletine derivatives on alpha 1-adrenoceptors]. Yao Xue Xue Bao. 1998;33(2):102-5."	Approved; Vet_approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; Imidazoline Derivatives; Musculo-Skeletal System; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Imidazoles; Neurotransmitter Agents; Topical Products for Joint and Muscular Pain; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Imidazolines	C(C1=NCCN1)C1=CC=CC=C1					6010	46505641		PA451716		DAP000477	Tolazoline	CHEMBL770	10634
DB00797	Tolazoline	BE0000442	HRH1	P35367	HRH1_HUMAN	agonist	8487790	"Roll C, Hanssler L: [Interaction of tolazoline and cimetidine in persistent fetal circulation of the newborn infant]. Monatsschr Kinderheilkd. 1993 Apr;141(4):297-9."	Approved; Vet_approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; Imidazoline Derivatives; Musculo-Skeletal System; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Imidazoles; Neurotransmitter Agents; Topical Products for Joint and Muscular Pain; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Imidazolines	C(C1=NCCN1)C1=CC=CC=C1					6010	46505641		PA451716		DAP000477	Tolazoline	CHEMBL770	10634
DB00797	Tolazoline	BE0000112	HRH2	P25021	HRH2_HUMAN	agonist	6386273; 21948594; 8487790	"Ward RM: Pharmacology of tolazoline. Clin Perinatol. 1984 Oct;11(3):703-13.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777.  Epub 2011 Sep 23.@@Roll C, Hanssler L: [Interaction of tolazoline and cimetidine in persistent fetal circulation of the newborn infant]. Monatsschr Kinderheilkd. 1993 Apr;141(4):297-9."	Approved; Vet_approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; Imidazoline Derivatives; Musculo-Skeletal System; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Imidazoles; Neurotransmitter Agents; Topical Products for Joint and Muscular Pain; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Imidazolines	C(C1=NCCN1)C1=CC=CC=C1					6010	46505641		PA451716		DAP000477	Tolazoline	CHEMBL770	10634
DB00798	Gentamicin	BE0000330	DHFR	P00374	DYR_HUMAN		20350811	"Al-Omary FA, Abou-Zeid LA, Nagi MN, Habib el-SE, Abdel-Aziz AA, El-Azab AS, Abdel-Hamide SG, Al-Omar MA, Al-Obaid AM, El-Subbagh HI: Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. Bioorg Med Chem. 2010 Apr 15;18(8):2849-63. doi: 10.1016/j.bmc.2010.03.019. Epub  2010 Mar 12."	Approved; Vet_approved			"alpha-Galactosidase, antagonists & inhibitors; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; OCT2 Substrates; Protein Synthesis Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Otologicals; Ophthalmological and Otological Preparations; OCT2 Substrates with a Narrow Therapeutic Index; Antibacterials for Systemic Use; Gentamicins; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Narrow Therapeutic Index Drugs; Aminoglycoside Antibacterials; Sensory Organs"	[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC		Gentamicin Action Pathway	drug_action		8630	46506523		PA449753		DAP000116	Gentamicin	CHEMBL3039597	1596450
DB00799	Tazarotene	BE0000663	RARA	P10276	RARA_HUMAN	agonist	16144296; 9035701; 15383624; 14675762; 11519864; 10828316	"Baumann L, Vujevich J, Halem M, Martin LK, Kerdel F, Lazarus M, Pacheco H, Black L, Bryde J: Open-label pilot study of alitretinoin gel 0.1% in the treatment of photoaging. Cutis. 2005 Jul;76(1):69-73.@@Chandraratna RA: Tazarotene--first of a new generation of receptor-selective retinoids. Br J Dermatol. 1996 Oct;135 Suppl 49:18-25.@@Yen A, Fenning R, Chandraratna R, Walker P, Varvayanis S: A retinoic acid receptor beta/gamma-selective prodrug (tazarotene) plus a retinoid X receptor ligand induces extracellular signal-regulated kinase activation, retinoblastoma hypophosphorylation, G0 arrest, and cell differentiation. Mol Pharmacol. 2004 Dec;66(6):1727-37. Epub 2004 Sep 21.@@Meder W, Wendland M, Busmann A, Kutzleb C, Spodsberg N, John H, Richter R, Schleuder D, Meyer M, Forssmann WG: Characterization of human circulating TIG2 as a ligand for the orphan receptor ChemR23. FEBS Lett. 2003 Dec 18;555(3):495-9.@@Wang Q, Lee D, Sysounthone V, Chandraratna RAS, Christakos S, Korah R, Wieder R: 1,25-dihydroxyvitamin D3 and retonic acid analogues induce differentiation in breast cancer cells with function- and cell-specific additive effects. Breast Cancer Res Treat. 2001 May;67(2):157-68.@@Nagpal S, Chandraratna RA: Recent developments in receptor-selective retinoids. Curr Pharm Des. 2000 Jun;6(9):919-31."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates	CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1					11373	46508992	D01132	PA164746821		DAP000462	Tazarotene	CHEMBL1657	83947
DB00799	Tazarotene	BE0000144	RARG	P13631	RARG_HUMAN	agonist	17139284; 17016423; 10592235; 18034539; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Arechalde A, Saurat JH: Management of psoriasis: the position of retinoid drugs. BioDrugs. 2000 May;13(5):327-33.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates	CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1					11373	46508992	D01132	PA164746821		DAP000462	Tazarotene	CHEMBL1657	83947
DB00799	Tazarotene	BE0000206	RARB	P10826	RARB_HUMAN	agonist	12942109; 15102095; 9035701; 18034539	"Jones PH, Burnett RD, Fainaru I, Nadolny P, Walker P, Yu Z, Tang-Liu D, Ganesan TS, Talbot DC, Harris AL, Rustin GJ: A phase 1 study of tazarotene in adults with advanced cancer. Br J Cancer. 2003 Sep 1;89(5):808-15.@@Orlandi A, Bianchi L, Costanzo A, Campione E, Giusto Spagnoli L, Chimenti S: Evidence of increased apoptosis and reduced proliferation in basal cell carcinomas treated with tazarotene. J Invest Dermatol. 2004 Apr;122(4):1037-41.@@Chandraratna RA: Tazarotene--first of a new generation of receptor-selective retinoids. Br J Dermatol. 1996 Oct;135 Suppl 49:18-25.@@Arechalde A, Saurat JH: Management of psoriasis: the position of retinoid drugs. BioDrugs. 2000 May;13(5):327-33."	Approved; Investigational	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	Antipsoriatics for Topical Use; Cytochrome P-450 Substrates; Prodrugs; Noxae; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Antipsoriatics; Keratolytic Agents; Teratogens; Toxic Actions; Retinoids; Pyridines; Cytochrome P-450 CYP2C8 Substrates	CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1					11373	46508992	D01132	PA164746821		DAP000462	Tazarotene	CHEMBL1657	83947
DB00800	Fenoldopam	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	inhibitor	7670737	"Martin SW, Broadley KJ: Renal vasodilatation by dopexamine and fenoldopam due to alpha 1-adrenoceptor blockade. Br J Pharmacol. 1995 May;115(2):349-55."	Approved	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines	"Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Benzazepines; Cardiovascular Agents; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Heterocyclic Compounds, Fused-Ring; Cardiac Therapy; Vasodilating Agents; Antihypertensive Agents; Neurotransmitter Agents; Drugs that are Mainly Renally Excreted; Dopamine Agents; Dopamine D1 Receptor Agonists; Dopamine Agonists"	OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12						46504963	D00613	PA164784034		DAP000254	Fenoldopam	CHEMBL588	24853
DB00800	Fenoldopam	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	inhibitor	7670737	"Martin SW, Broadley KJ: Renal vasodilatation by dopexamine and fenoldopam due to alpha 1-adrenoceptor blockade. Br J Pharmacol. 1995 May;115(2):349-55."	Approved	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines	"Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Benzazepines; Cardiovascular Agents; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Heterocyclic Compounds, Fused-Ring; Cardiac Therapy; Vasodilating Agents; Antihypertensive Agents; Neurotransmitter Agents; Drugs that are Mainly Renally Excreted; Dopamine Agents; Dopamine D1 Receptor Agonists; Dopamine Agonists"	OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12						46504963	D00613	PA164784034		DAP000254	Fenoldopam	CHEMBL588	24853
DB00801	Halazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Withdrawn	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1						46508415	D00338	PA164746526		DAP000679	Halazepam	CHEMBL970	26412
DB00801	Halazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit; Withdrawn	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1						46508415	D00338	PA164746526		DAP000679	Halazepam	CHEMBL970	26412
DB00804	Dicyclomine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	3612532; 10188802	"Doods HN, Mathy MJ, Davidesko D, van Charldorp KJ, de Jonge A, van Zwieten PA: Selectivity of muscarinic antagonists in radioligand and in vivo experiments for the putative M1, M2 and M3 receptors. J Pharmacol Exp Ther. 1987 Jul;242(1):257-62.@@Kilbinger H, von Bardeleben RS, Siefken H, Wolf D: Prejunctional muscarinic receptors regulating neurotransmitter release in airways. Life Sci. 1995;56(11-12):981-7. doi: 10.1016/0024-3205(95)00037-7."	Approved	Carboxylic acid esters	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Autonomic Agents; Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Neurotransmitter Agents; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Cyclohexanes; Cyclohexanecarboxylic Acids; Antimuscarinics Antispasmodics; Alimentary Tract and Metabolism"	CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1					6425	46505371		PA164744928		DAP001118	Dicycloverine	CHEMBL1123	3361
DB00804	Dicyclomine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	9059856; 3612532	"Pavia J, Munoz M, Jimenez E, Martos F, Gonzalez-Correa JA, De la Cruz JP, Garcia V, Sanchez de la Cuesta F: Pharmacological characterization and distribution of muscarinic receptors in human placental syncytiotrophoblast brush-border and basal plasma membranes. Eur J Pharmacol. 1997 Feb 12;320(2-3):209-14.@@Doods HN, Mathy MJ, Davidesko D, van Charldorp KJ, de Jonge A, van Zwieten PA: Selectivity of muscarinic antagonists in radioligand and in vivo experiments for the putative M1, M2 and M3 receptors. J Pharmacol Exp Ther. 1987 Jul;242(1):257-62."	Approved	Carboxylic acid esters	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Autonomic Agents; Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Neurotransmitter Agents; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Cyclohexanes; Cyclohexanecarboxylic Acids; Antimuscarinics Antispasmodics; Alimentary Tract and Metabolism"	CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1					6425	46505371		PA164744928		DAP001118	Dicycloverine	CHEMBL1123	3361
DB00805	Minaprine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	17139284; 17016423; 1361012; 2975224	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kodama K, Shibata S, Ueki S: Protective effect of minaprine against the abnormal changes of 2-deoxyglucose uptake by rat hippocampal slices induced by hypoxia/hypoglycemia. Jpn J Pharmacol. 1992 Sep;60(1):33-8.@@Muramatsu M, Tamaki-Ohashi J, Usuki C, Araki H, Chaki S, Aihara H: 5-HT2 antagonists and minaprine block the 5-HT-induced inhibition of dopamine release from rat brain striatal slices. Eur J Pharmacol. 1988 Aug 9;153(1):89-95."	Approved	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives	Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Central Nervous System Stimulants; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Cholinesterase Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1						46505380	D05039	PA164748351		DAP000475	Minaprine	CHEMBL278819	30031
DB00805	Minaprine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9694022	"Schloss P, Williams DC: The serotonin transporter: a primary target for antidepressant drugs. J Psychopharmacol. 1998;12(2):115-21. doi: 10.1177/026988119801200201."	Approved	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives	Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Central Nervous System Stimulants; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Cholinesterase Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1						46505380	D05039	PA164748351		DAP000475	Minaprine	CHEMBL278819	30031
DB00805	Minaprine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	7862862	"Puglisi-Allegra S, Cabib S, Cestari V, Castellano C: Post-training minaprine enhances memory storage in mice: involvement of D1 and D2 dopamine receptors. Psychopharmacology (Berl). 1994 Jan;113(3-4):476-80. doi: 10.1007/BF02245226."	Approved	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives	Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Central Nervous System Stimulants; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Cholinesterase Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1						46505380	D05039	PA164748351		DAP000475	Minaprine	CHEMBL278819	30031
DB00806	Pentoxifylline	BE0000013	ADORA1	P30542	AA1R_HUMAN		3588607; 2997628	"Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63.@@Schwabe U, Ukena D, Lohse MJ: Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21."	Approved; Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Antioxidants; Purines; Enzyme Inhibitors; Protective Agents; Hematologic Activity Alteration; Cardiovascular Agents; Cytochrome P-450 Substrates; Alkaloids; Free Radical Scavengers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Purine Derivatives; Antiplatelet agents; Radiation-Protective Agents; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Hematologic Agents; Blood Viscosity Reducer; Phosphodiesterase 5 Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Hemorrheologic Agents"	CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C					1929	46505940	D00501	PA450864		DAP000048	Pentoxifylline	CHEMBL628	8013
DB00806	Pentoxifylline	BE0001096	NT5E	P21589	5NTD_HUMAN	inhibitor	16426349	"Ustunsoy H, Sivrikoz MC, Tarakcioglu M, Bakir K, Guldur E, Celkan MA: The effects of pentoxifylline on the myocardial inflammation and ischemia-reperfusion injury during cardiopulmonary bypass. J Card Surg. 2006 Jan-Feb;21(1):57-61."	Approved; Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Antioxidants; Purines; Enzyme Inhibitors; Protective Agents; Hematologic Activity Alteration; Cardiovascular Agents; Cytochrome P-450 Substrates; Alkaloids; Free Radical Scavengers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Purine Derivatives; Antiplatelet agents; Radiation-Protective Agents; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Hematologic Agents; Blood Viscosity Reducer; Phosphodiesterase 5 Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Hemorrheologic Agents"	CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C					1929	46505940	D00501	PA450864		DAP000048	Pentoxifylline	CHEMBL628	8013
DB00807	Proparacaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 9476974	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tella SR, Goldberg SR: Monoamine transporter and sodium channel mechanisms in the rapid pressor response to cocaine. Pharmacol Biochem Behav. 1998 Feb;59(2):305-12."	Approved; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Hydroxybenzoate Ethers; Ethers; Hydroxybenzoates; Benzene Derivatives; Central Nervous System Depressants; Benzoates; Hydroxy Acids; Phenols; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Peripheral Nervous System Agents; para-Aminobenzoates; Phenyl Ethers; Ophthalmologicals; Central Nervous System Agents; Isomerism; Sensory Organs"	CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC		Proparacaine Action Pathway	drug_action		3798	46507960	D08448	PA164776849		DAP000513	Proxymetacaine	CHEMBL1196	34905
DB00808	Indapamide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	23729436; 24444254; 20528637	"Ma F, Lin F, Chen C, Cheng J, Zeldin DC, Wang Y, Wang DW: Indapamide lowers blood pressure by increasing production of epoxyeicosatrienoic acids in the kidney. Mol Pharmacol. 2013 Aug;84(2):286-95. doi: 10.1124/mol.113.085878. Epub 2013 May 31.@@Tamargo J, Segura J, Ruilope LM: Diuretics in the treatment of hypertension. Part 1: thiazide and thiazide-like diuretics. Expert Opin Pharmacother. 2014 Mar;15(4):527-47. doi: 10.1517/14656566.2014.879118. Epub 2014 Jan 20.@@Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"QTc Prolonging Agents; Thiazide-like Diuretic; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Amides; Lipid Modifying Agents; Indoles; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Sulfur Compounds"	CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O		Indapamide Action Pathway	drug_action		1960	46508626	D00345	PA449975		DAP000498	Indapamide	CHEMBL406	5764
DB00809	Tropicamide	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17594079	"Betz AJ, McLaughlin PJ, Burgos M, Weber SM, Salamone JD: The muscarinic receptor antagonist tropicamide suppresses tremulous jaw movements in a rodent model of parkinsonian tremor: possible role of M4 receptors. Psychopharmacology (Berl). 2007 Oct;194(3):347-59. Epub 2007 Jun 27."	Approved; Investigational	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Neurotransmitter Agents; Mydriatics; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Sensory Organs; Pyridines	CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1					5843	46505924	D00397	PA164749389		DAP000345	Tropicamide	CHEMBL1200604	10869
DB00809	Tropicamide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17594079	"Betz AJ, McLaughlin PJ, Burgos M, Weber SM, Salamone JD: The muscarinic receptor antagonist tropicamide suppresses tremulous jaw movements in a rodent model of parkinsonian tremor: possible role of M4 receptors. Psychopharmacology (Berl). 2007 Oct;194(3):347-59. Epub 2007 Jun 27."	Approved; Investigational	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Neurotransmitter Agents; Mydriatics; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Sensory Organs; Pyridines	CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1					5843	46505924	D00397	PA164749389		DAP000345	Tropicamide	CHEMBL1200604	10869
DB00812	Phenylbutazone	BE0000117	PTGIS	Q16647	PTGIS_HUMAN	inhibitor	17139284; 17016423; 3917545; 6434940; 3517382	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Reed GA, Griffin IO, Eling TE: Inactivation of prostaglandin H synthase and prostacyclin synthase by phenylbutazone. Requirement for peroxidative metabolism. Mol Pharmacol. 1985 Jan;27(1):109-14.@@Marnett LJ, Siedlik PH, Ochs RC, Pagels WR, Das M, Honn KV, Warnock RH, Tainer BE, Eling TE: Mechanism of the stimulation of prostaglandin H synthase and prostacyclin synthase by the antithrombotic and antimetastatic agent, nafazatrom. Mol Pharmacol. 1984 Sep;26(2):328-35.@@Tobin T, Chay S, Kamerling S, Woods WE, Weckman TJ, Blake JW, Lees P: Phenylbutazone in the horse: a review. J Vet Pharmacol Ther. 1986 Mar;9(1):1-25."	Approved; Vet_approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrazolones; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Musculo-Skeletal System; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Butylpyrazolidines; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Pyrazoles; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents"	CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1		Phenylbutazone Action Pathway	drug_action		9536	46507038	D00510	PA450932		DAP000974	Phenylbutazone	CHEMBL101	8160
DB00813	Fentanyl	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	18325678	"Pascoe JE, Williams KL, Mukhopadhyay P, Rice KC, Woods JH, Ko MC: Effects of mu, kappa, and delta opioid receptor agonists on the function of hypothalamic-pituitary-adrenal axis in monkeys. Psychoneuroendocrinology. 2008 May;33(4):478-86. doi: 10.1016/j.psyneuen.2008.01.006. Epub 2008 Mar 5."	Approved; Illicit; Investigational; Vet_approved	Fentanyls	Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls	"Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Antidepressive Agents; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Drugs that are Mainly Renally Excreted; Serotonin Modulators; P-glycoprotein inhibitors; Agents that reduce seizure threshold; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids"	CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1		Fentanyl Action Pathway	drug_action		10124	46506372	D00320	PA449599		DAP000072	Fentanyl	CHEMBL596	4337
DB00813	Fentanyl	BE0001032	ABCB1	P08183	MDR1_HUMAN		11964599	"Wandel C, Kim R, Wood M, Wood A: Interaction of morphine, fentanyl, sufentanil, alfentanil, and loperamide with the efflux drug transporter P-glycoprotein. Anesthesiology. 2002 Apr;96(4):913-20."	Approved; Illicit; Investigational; Vet_approved	Fentanyls	Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls	"Opioid Anesthetics; Sensory System Agents; Anesthetics, General; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neuraxial Anesthetics; Antidepressive Agents; Phenylpiperidine opioids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Drugs that are Mainly Renally Excreted; Serotonin Modulators; P-glycoprotein inhibitors; Agents that reduce seizure threshold; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Opioids, Anilidopiperidine; Adjuvants, Anesthesia; Piperidines; Serotonin Agents; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Opioids"	CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1		Fentanyl Action Pathway	drug_action		10124	46506372	D00320	PA449599		DAP000072	Fentanyl	CHEMBL596	4337
DB00818	Propofol	BE0002346	GABRB2	P47870	GBRB2_HUMAN	potentiator	16402123	Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81.	Approved; Investigational; Vet_approved	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)C1=CC=CC(C(C)C)=C1O					8209	46504991	D00549	PA451141		DAP000662	Propofol	CHEMBL526	8782
DB00818	Propofol	BE0002345	GABRB3	P28472	GBRB3_HUMAN	potentiator	16402123	Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81.	Approved; Investigational; Vet_approved	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)C1=CC=CC(C(C)C)=C1O					8209	46504991	D00549	PA451141		DAP000662	Propofol	CHEMBL526	8782
DB00818	Propofol	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Investigational; Vet_approved	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)C1=CC=CC(C(C)C)=C1O					8209	46504991	D00549	PA451141		DAP000662	Propofol	CHEMBL526	8782
DB00818	Propofol	BE0002083	SCN4A	P35499	SCN4A_HUMAN	inhibitor	18574460	"Haeseler G, Karst M, Foadi N, Gudehus S, Roeder A, Hecker H, Dengler R, Leuwer M: High-affinity blockade of voltage-operated skeletal muscle and neuronal sodium channels by halogenated propofol analogues. Br J Pharmacol. 2008 Sep;155(2):265-75. doi: 10.1038/bjp.2008.255. Epub 2008 Jun  23."	Approved; Investigational; Vet_approved	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)C1=CC=CC(C(C)C)=C1O					8209	46504991	D00549	PA451141		DAP000662	Propofol	CHEMBL526	8782
DB00818	Propofol	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	inhibitor	18574460	"Haeseler G, Karst M, Foadi N, Gudehus S, Roeder A, Hecker H, Dengler R, Leuwer M: High-affinity blockade of voltage-operated skeletal muscle and neuronal sodium channels by halogenated propofol analogues. Br J Pharmacol. 2008 Sep;155(2):265-75. doi: 10.1038/bjp.2008.255. Epub 2008 Jun  23."	Approved; Investigational; Vet_approved	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; QTc Prolonging Agents; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Agents that reduce seizure threshold; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; UGT1A6 substrate; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)C1=CC=CC(C(C)C)=C1O					8209	46504991	D00549	PA451141		DAP000662	Propofol	CHEMBL526	8782
DB00819	Acetazolamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	8667211; 10651143; 11430635; 10713865; 12956733; 18336310	"Puscas I, Coltau M, Pasca R: Nonsteroidal anti-inflammatory drugs activate carbonic anhydrase by a direct mechanism of action. J Pharmacol Exp Ther. 1996 Jun;277(3):1464-6.@@Meierkord H, Grunig F, Gutschmidt U, Gutierrez R, Pfeiffer M, Draguhn A, Bruckner C, Heinemann U: Sodium bromide: effects on different patterns of epileptiform activity, extracellular pH changes and GABAergic inhibition. Naunyn Schmiedebergs Arch Pharmacol. 2000 Jan;361(1):25-32.@@Puscas I, Ifrim M, Maghiar T, Coltau M, Domuta G, Baican M, Hecht A: Indomethacin activates carbonic anhydrase and antagonizes the effect of the specific carbonic anhydrase inhibitor acetazolamide, by a direct mechanism of action. Int J Clin Pharmacol Ther. 2001 Jun;39(6):265-70.@@Puscas I, Coltau M, Baican M, Domuta G, Hecht A: Vasodilatory effect of diuretics is dependent on inhibition of vascular smooth muscle carbonic anhydrase by a direct mechanism of action. Drugs Exp Clin Res. 1999;25(6):271-9.@@Perez Velazquez JL: Bicarbonate-dependent depolarizing potentials in pyramidal cells and interneurons during epileptiform activity. Eur J Neurosci. 2003 Sep;18(5):1337-42.@@Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54."	Approved; Vet_approved	Thiadiazole sulfonamides	Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles	Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Thiazoles; Antiglaucoma Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP3A4 Inhibitors; Thiadiazoles; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Central Nervous System Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Anticonvulsants; Sensory Organs	CC(=O)NC1=NN=C(S1)S(N)(=O)=O					6299	46504493	D00218	PA448018		DAP000600	Acetazolamide	CHEMBL20	167
DB00819	Acetazolamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	20605094; 18336310	"Avvaru BS, Wagner JM, Maresca A, Scozzafava A, Robbins AH, Supuran CT, McKenna R: Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81. doi: 10.1016/j.bmcl.2010.06.082. Epub 2010 Jun 17.@@Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54."	Approved; Vet_approved	Thiadiazole sulfonamides	Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles	Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Thiazoles; Antiglaucoma Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP3A4 Inhibitors; Thiadiazoles; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Central Nervous System Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Anticonvulsants; Sensory Organs	CC(=O)NC1=NN=C(S1)S(N)(=O)=O					6299	46504493	D00218	PA448018		DAP000600	Acetazolamide	CHEMBL20	167
DB00819	Acetazolamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	20605094	"Avvaru BS, Wagner JM, Maresca A, Scozzafava A, Robbins AH, Supuran CT, McKenna R: Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81. doi: 10.1016/j.bmcl.2010.06.082. Epub 2010 Jun 17."	Approved; Vet_approved	Thiadiazole sulfonamides	Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles	Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Thiazoles; Antiglaucoma Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP3A4 Inhibitors; Thiadiazoles; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Carbonic Anhydrase Inhibitors; Natriuretic Agents; Ophthalmologicals; Central Nervous System Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Anticonvulsants; Sensory Organs	CC(=O)NC1=NN=C(S1)S(N)(=O)=O					6299	46504493	D00218	PA448018		DAP000600	Acetazolamide	CHEMBL20	167
DB00820	Tadalafil	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	14498756; 12074215; 12603396; 12625031; 17979301; 15213306	"Curran M, Keating G: Tadalafil. Drugs. 2003;63(20):2203-12; discussion 2213-4.@@Eardley I, Cartledge J: Tadalafil (Cialis) for men with erectile dysfunction. Int J Clin Pract. 2002 May;56(4):300-4.@@Montorsi F, Salonia A, Deho' F, Cestari A, Guazzoni G, Rigatti P, Stief C: Pharmacological management of erectile dysfunction. BJU Int. 2003 Mar;91(5):446-54.@@Rotella DP: Tadalafil Lilly ICOS. Curr Opin Investig Drugs. 2003 Jan;4(1):60-5.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3.@@Blount MA, Beasley A, Zoraghi R, Sekhar KR, Bessay EP, Francis SH, Corbin JD: Binding of tritiated sildenafil, tadalafil, or vardenafil to the phosphodiesterase-5 catalytic site displays potency, specificity, heterogeneity, and cGMP stimulation. Mol Pharmacol. 2004 Jul;66(1):144-52. doi: 10.1124/mol.66.1.144."	Approved; Investigational	Beta carbolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles	"Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1					12346	46507646	D02008	PA10333		DAP000615	Tadalafil	CHEMBL779	358263
DB00820	Tadalafil	BE0003558	PDE11A	Q9HCR9	PDE11_HUMAN	inhibitor	19641165; 17696499; 29667180	"Weeks JL 2nd, Corbin JD, Francis SH: Interactions between cyclic nucleotide phosphodiesterase 11 catalytic site and substrates or tadalafil and role of a critical Gln-869 hydrogen bond. J Pharmacol Exp Ther. 2009 Oct;331(1):133-41. doi: 10.1124/jpet.109.156935. Epub  2009 Jul 29.@@Weeks JL 2nd, Zoraghi R, Francis SH, Corbin JD: N-Terminal domain of phosphodiesterase-11A4 (PDE11A4) decreases affinity of the catalytic site for substrates and tadalafil, and is involved in oligomerization. Biochemistry. 2007 Sep 11;46(36):10353-64. Epub 2007 Aug 16.@@Andersson KE: PDE5 inhibitors - pharmacology and clinical applications 20 years after sildenafil discovery. Br J Pharmacol. 2018 Jul;175(13):2554-2565. doi: 10.1111/bph.14205. Epub 2018 Apr 25."	Approved; Investigational	Beta carbolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles	"Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1					12346	46507646	D02008	PA10333		DAP000615	Tadalafil	CHEMBL779	358263
DB00820	Tadalafil	BE0003556	PDE6G	P18545	CNRG_HUMAN	inhibitor	29667180	Andersson KE: PDE5 inhibitors - pharmacology and clinical applications 20 years after sildenafil discovery. Br J Pharmacol. 2018 Jul;175(13):2554-2565. doi: 10.1111/bph.14205. Epub 2018 Apr 25.	Approved; Investigational	Beta carbolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles	"Antihypertensives for Pulmonary Arterial Hypertension; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Carbolines; Indoles; Pyridines; Cardiovascular Agents; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1					12346	46507646	D02008	PA10333		DAP000615	Tadalafil	CHEMBL779	358263
DB00822	Disulfiram	BE0000133	ALDH2	P05091	ALDH2_HUMAN	inhibitor	16051882; 17220694	"Mackenzie IS, Maki-Petaja KM, McEniery CM, Bao YP, Wallace SM, Cheriyan J, Monteith S, Brown MJ, Wilkinson IB: Aldehyde dehydrogenase 2 plays a role in the bioactivation of nitroglycerin in humans. Arterioscler Thromb Vasc Biol. 2005 Sep;25(9):1891-5. Epub 2005 Jul 28.@@Ho MP, Yo CH, Liu CM, Chen CL, Lee CC: Refractive hypotension in a patient with disulfiram-ethanol reaction. Am J Med Sci. 2007 Jan;333(1):53-5."	Approved	Thiuram disulfides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Disulfides; QTc Prolonging Agents; Enzyme Inhibitors; Sulfides; Cytochrome P-450 CYP3A Substrates; Alcohol Deterrents; Drugs Used in Addictive Disorders; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Carbamates; Acetyl Aldehyde Dehydrogenase Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Drugs Used in Alcohol Dependence; Thiocarbamates; Agents that reduce seizure threshold; Acids, Acyclic; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Aldehyde Dehydrogenase Inhibitor; Central Nervous System Agents; Sulfur Containing Products; Nervous System; Sulfur Compounds; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CCN(CC)C(=S)SSC(=S)N(CC)CC		Disulfiram Action Pathway	drug_action		5805	46506008	D00131	PA449376		DAP000012	Disulfiram	CHEMBL964	3554
DB00823	Ethynodiol diacetate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	858280; 166800; 11752352	"Tamaya T, Nioka S, Furuta N, Shimura T, Takano N: Contribution of functional groups of 19-nor-progestogens to binding to progesterone and estradiol-17beta receptors in rabbit uterus. Endocrinology. 1977 Jun;100(6):1579-84.@@Briggs MH: Contraceptive steroid binding to the human uterine progesterone-receptor. Curr Med Res Opin. 1975;3(2):95-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H]					7410	46506993	D01294	PA164749157		DAP000856	Etynodiol_diacetate	CHEMBL1200624	4170
DB00823	Ethynodiol diacetate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17139284; 17016423; 4123746	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kappus H, Bolt HM, Remmer H: Affinity of ethynyl-estradiol and mestranol for the uterine estrogen receptor and for the microsomal mixed function oxidase of the liver. J Steroid Biochem. 1973 Mar;4(2):121-8."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H]					7410	46506993	D01294	PA164749157		DAP000856	Etynodiol_diacetate	CHEMBL1200624	4170
DB00824	Enprofylline	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	27472311; 7680859	"Monteiro JP, Alves MG, Oliveira PF, Silva BM: Structure-Bioactivity Relationships of Methylxanthines: Trying to Make Sense of All the Promises and the Drawbacks. Molecules. 2016 Jul 27;21(8). pii: molecules21080974. doi: 10.3390/molecules21080974.@@Ukena D, Schudt C, Sybrecht GW: Adenosine receptor-blocking xanthines as inhibitors of phosphodiesterase isozymes. Biochem Pharmacol. 1993 Feb 24;45(4):847-51."	Approved; Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists"	CCCN1C2=C(NC=N2)C(=O)NC1=O						46505790	D04006	PA164749350		DAP001375	Enprofylline	CHEMBL279898	
DB00824	Enprofylline	BE0000241	ADORA2B	P29275	AA2BR_HUMAN	antagonist	15980878; 11752352	"Holgate ST: The Quintiles Prize Lecture 2004. The identification of the adenosine A2B receptor as a novel therapeutic target in asthma. Br J Pharmacol. 2005 Aug;145(8):1009-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists"	CCCN1C2=C(NC=N2)C(=O)NC1=O						46505790	D04006	PA164749350		DAP001375	Enprofylline	CHEMBL279898	
DB00824	Enprofylline	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	17670210; 1885257; 2262902; 3002801; 3446047; 11752352	"Featherstone RL, Chambers DJ: Long-term hypothermic lung preservation: does adenosine A1 receptor antagonism have a role in ischemic preconditioning protection? Interact Cardiovasc Thorac Surg. 2004 Mar;3(1):182-7.@@Dulloo AG, Seydoux J, Girardier L: Peripheral mechanisms of thermogenesis induced by ephedrine and caffeine in brown adipose tissue. Int J Obes. 1991 May;15(5):317-26.@@Dar MS: Central adenosinergic system involvement in ethanol-induced motor incoordination in mice. J Pharmacol Exp Ther. 1990 Dec;255(3):1202-9.@@Ukena D, Schirren CG, Schwabe U: Effects of enprofylline on A1 and A2 adenosine receptors. Eur J Pharmacol. 1985 Oct 29;117(1):25-33.@@Berg G, Andersson RG, Ryden G: Effects of different phosphodiesterase-inhibiting drugs on human pregnant myometrium: an in vitro study. Arch Int Pharmacodyn Ther. 1987 Dec;290(2):288-92.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists"	CCCN1C2=C(NC=N2)C(=O)NC1=O						46505790	D04006	PA164749350		DAP001375	Enprofylline	CHEMBL279898	
DB00824	Enprofylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	inhibitor	10496952	"Linden J, Thai T, Figler H, Jin X, Robeva AS: Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells. Mol Pharmacol. 1999 Oct;56(4):705-13."	Approved; Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Respiratory System Agents; Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Anti-Asthmatic Agents; Bronchodilator Agents; Purinergic Agents; Peripheral Nervous System Agents; Autonomic Agents; Adenosine A2 Receptor Antagonists; Purinergic Antagonists"	CCCN1C2=C(NC=N2)C(=O)NC1=O						46505790	D04006	PA164749350		DAP001375	Enprofylline	CHEMBL279898	
DB00825	Levomenthol	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN	inducer	12654248; 14757700; 15046718; 15190109; 15311065; 7529306; 11752352	"Story GM, Peier AM, Reeve AJ, Eid SR, Mosbacher J, Hricik TR, Earley TJ, Hergarden AC, Andersson DA, Hwang SW, McIntyre P, Jegla T, Bevan S, Patapoutian A: ANKTM1, a TRP-like channel expressed in nociceptive neurons, is activated by cold temperatures. Cell. 2003 Mar 21;112(6):819-29.@@Behrendt HJ, Germann T, Gillen C, Hatt H, Jostock R: Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay. Br J Pharmacol. 2004 Feb;141(4):737-45. Epub 2004 Feb 2.@@Bandell M, Story GM, Hwang SW, Viswanath V, Eid SR, Petrus MJ, Earley TJ, Patapoutian A: Noxious cold ion channel TRPA1 is activated by pungent compounds and bradykinin. Neuron. 2004 Mar 25;41(6):849-57.@@Andersson DA, Chase HW, Bevan S: TRPM8 activation by menthol, icilin, and cold is differentially modulated by intracellular pH. J Neurosci. 2004 Jun 9;24(23):5364-9.@@Stein RJ, Santos S, Nagatomi J, Hayashi Y, Minnery BS, Xavier M, Patel AS, Nelson JB, Futrell WJ, Yoshimura N, Chancellor MB, De Miguel F: Cool (TRPM8) and hot (TRPV1) receptors in the bladder and male genital tract. J Urol. 2004 Sep;172(3):1175-8.@@Eccles R: Menthol and related cooling compounds. J Pharm Pharmacol. 1994 Aug;46(8):618-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics"	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O					15195	46506513	D00064	PA164776605		DAP000876	Menthol	CHEMBL470670	236388
DB00825	Levomenthol	BE0001122	TRPA1	O75762	TRPA1_HUMAN	inducer	12654248; 15931068; 16829128; 11752352	"Story GM, Peier AM, Reeve AJ, Eid SR, Mosbacher J, Hricik TR, Earley TJ, Hergarden AC, Andersson DA, Hwang SW, McIntyre P, Jegla T, Bevan S, Patapoutian A: ANKTM1, a TRP-like channel expressed in nociceptive neurons, is activated by cold temperatures. Cell. 2003 Mar 21;112(6):819-29.@@Namer B, Seifert F, Handwerker HO, Maihofner C: TRPA1 and TRPM8 activation in humans: effects of cinnamaldehyde and menthol. Neuroreport. 2005 Jun 21;16(9):955-9.@@Macpherson LJ, Hwang SW, Miyamoto T, Dubin AE, Patapoutian A, Story GM: More than cool: promiscuous relationships of menthol and other sensory compounds. Mol Cell Neurosci. 2006 Aug;32(4):335-43. Epub 2006 Jul 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics"	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O					15195	46506513	D00064	PA164776605		DAP000876	Menthol	CHEMBL470670	236388
DB00825	Levomenthol	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN	inducer	16829128	"Macpherson LJ, Hwang SW, Miyamoto T, Dubin AE, Patapoutian A, Story GM: More than cool: promiscuous relationships of menthol and other sensory compounds. Mol Cell Neurosci. 2006 Aug;32(4):335-43. Epub 2006 Jul 7."	Approved	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics"	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O					15195	46506513	D00064	PA164776605		DAP000876	Menthol	CHEMBL470670	236388
DB00825	Levomenthol	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	antagonist	16121523; 2856502	"Grigoleit HG, Grigoleit P: Pharmacology and preclinical pharmacokinetics of peppermint oil. Phytomedicine. 2005 Aug;12(8):612-6. doi: 10.1016/j.phymed.2004.10.007.@@Hawthorn M, Ferrante J, Luchowski E, Rutledge A, Wei XY, Triggle DJ: The actions of peppermint oil and menthol on calcium channel dependent processes in intestinal, neuronal and cardiac preparations. Aliment Pharmacol Ther. 1988 Apr;2(2):101-18."	Approved	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics"	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O					15195	46506513	D00064	PA164776605		DAP000876	Menthol	CHEMBL470670	236388
DB00825	Levomenthol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	11897159; 7851817	"Galeotti N, Di Cesare Mannelli L, Mazzanti G, Bartolini A, Ghelardini C: Menthol: a natural analgesic compound. Neurosci Lett. 2002 Apr 12;322(3):145-8.@@Taniguchi Y, Deguchi Y, Saita M, Noda K: [Antinociceptive effects of counterirritants]. Nihon Yakurigaku Zasshi. 1994 Dec;104(6):433-46."	Approved	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"QTc Prolonging Agents; Basic Lotions and Liniments; Cytochrome P-450 CYP3A Substrates; Cyclohexanols; Other Cold and Cough Preparations; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipruritics and Local Anesthetics; Calcium Channel Blockers; Cyclohexanes; Potential QTc-Prolonging Agents; Herbs and Natural Products; Vasodilating Agents; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; EENT Drugs, Miscellaneous; Antiarrhythmic agents; Bradycardia-Causing Agents; Other Analgesics"	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O					15195	46506513	D00064	PA164776605		DAP000876	Menthol	CHEMBL470670	236388
DB00829	Diazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	29950725; 23038269	"Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27.@@Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4."	Approved; Illicit; Investigational; Vet_approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anesthetics, Intravenous; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Adjuvants, Anesthesia; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Anticonvulsants"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1					9418	46505210	D00293	PA449283		DNC000549	Diazepam	CHEMBL12	3322
DB00829	Diazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational; Vet_approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Anesthetics; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Anesthetics, Intravenous; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Adjuvants, Anesthesia; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Anticonvulsants"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1					9418	46505210	D00293	PA449283		DNC000549	Diazepam	CHEMBL12	3322
DB00830	Phenmetrazine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17139284; 17016423; 12106802; 17017961	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rothman RB, Katsnelson M, Vu N, Partilla JS, Dersch CM, Blough BE, Baumann MH: Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7.@@Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59."	Approved; Illicit	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Autonomic Agents; Central Nervous System Stimulants; Central Nervous System Agents; Anti-Obesity Agents; Oxazines; Morpholines; Agents that produce hypertension; Agents producing tachycardia; Sympathomimetics; Peripheral Nervous System Agents; Appetite Depressants	CC1NCCOC1C1=CC=CC=C1						46504524		PA164747188		DAP000860	Phenmetrazine	CHEMBL1201208	8133
DB00830	Phenmetrazine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	17139284; 17016423; 12106802; 17017961	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rothman RB, Katsnelson M, Vu N, Partilla JS, Dersch CM, Blough BE, Baumann MH: Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7.@@Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59."	Approved; Illicit	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Autonomic Agents; Central Nervous System Stimulants; Central Nervous System Agents; Anti-Obesity Agents; Oxazines; Morpholines; Agents that produce hypertension; Agents producing tachycardia; Sympathomimetics; Peripheral Nervous System Agents; Appetite Depressants	CC1NCCOC1C1=CC=CC=C1						46504524		PA164747188		DAP000860	Phenmetrazine	CHEMBL1201208	8133
DB00831	Trifluoperazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 11873706; 8102973; 1676523; 15695070; 945467	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Lahti RA, Evans DL, Stratman NC, Figur LM: Dopamine D4 versus D2 receptor selectivity of dopamine receptor antagonists: possible therapeutic implications. Eur J Pharmacol. 1993 Jun 4;236(3):483-6.@@Schmidt MH, Lee T: Investigation of striatal dopamine D2 receptor acquisition following prenatal neuroleptic exposure. Psychiatry Res. 1991 Mar;36(3):319-28.@@Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4.@@Seeman P, Lee T, Chau-Wong M, Wong K: Antipsychotic drug doses and neuroleptic/dopamine receptors. Nature. 1976 Jun 24;261(5562):717-9."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1					7997	46507961	D08636	PA451771		DAP000034	Trifluoperazine	CHEMBL422	10800
DB00831	Trifluoperazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17139284; 17016423; 8150214; 6135146	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fujinaga M, Hoffman BB, Baden JM: Receptor subtype and intracellular signal transduction pathway associated with situs inversus induced by alpha 1 adrenergic stimulation in rat embryos. Dev Biol. 1994 Apr;162(2):558-67.@@Huerta-Bahena J, Villalobos-Molina R, Garcia-Sainz JA: Trifluoperazine and chlorpromazine antagonize alpha 1- but not alpha2- adrenergic effects. Mol Pharmacol. 1983 Jan;23(1):67-70."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Gastrointestinal Agents; Autonomic Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Peripheral Nervous System Agents; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Neurotransmitter Agents; Antiemetics; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1					7997	46507961	D08636	PA451771		DAP000034	Trifluoperazine	CHEMBL422	10800
DB00834	Mifepristone	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist	10374120; 10682471; 10699595; 10806733; 11783365; 11752352	"Greb RR, Kiesel L, Selbmann AK, Wehrmann M, Hodgen GD, Goodman AL, Wallwiener D: Disparate actions of mifepristone (RU 486) on glands and stroma in the primate endometrium. Hum Reprod. 1999 Jan;14(1):198-206.@@Sun M, Zhu G, Zhou L: [Effect of mifepristone on the expression of progesterone receptor messenger RNA and protein in uterine leiomyomata]. Zhonghua Fu Chan Ke Za Zhi. 1998 Apr;33(4):227-31.@@Hazra BG, Basu S, Pore VS, Joshi PL, Pal D, Chakrabarti P: Synthesis of 11beta-(4-dimethylaminophenyl)-17beta-hydroxy-17alpha- (3-methyl-1-butynyl)-4, 9-estradien-3-one and 11beta-(4-acetophenyl)- 17beta-hydroxy-17alpha-(3-methyl-1-butynyl)-4, 9-estradien-3-one: two new analogs of mifepristone (RU-486). Steroids. 2000 Mar;65(3):157-62.@@Gao Y, Cheng L, Liu Y: [Failure of mifepristone induced interruption of pregnancy: point mutation at genetic codon 722 in human progesterone receptor gene]. Zhonghua Fu Chan Ke Za Zhi. 1998 Sep;33(9):549-52.@@Jiang J, Wu R, Wang Z: [Effects of mifepristone on expression of estrogen receptor and progesterone receptor in cultured human eutopic and ectopic endometria]. Zhonghua Fu Chan Ke Za Zhi. 2001 Apr;36(4):218-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]					22628	46505795	D00585	PA450500		DAP000090	Mifepristone	CHEMBL1276308	6964
DB00834	Mifepristone	BE0000794	NR3C1	P04150	GCR_HUMAN	antagonist	10796070; 15120421; 15336699; 15909120; 16723527; 19284324	"LeVan TD, Babin EA, Yamamura HI, Bloom JW: Pharmacological characterization of glucocorticoid receptors in primary human bronchial epithelial cells. Biochem Pharmacol. 1999 May 1;57(9):1003-9.@@Attardi BJ, Burgenson J, Hild SA, Reel JR: In vitro antiprogestational/antiglucocorticoid activity and progestin and glucocorticoid receptor binding of the putative metabolites and synthetic derivatives of CDB-2914, CDB-4124, and mifepristone. J Steroid Biochem Mol Biol. 2004 Mar;88(3):277-88.@@Aida K, Shi Q, Wang J, VandeBerg JL, McDonald T, Nathanielsz P, Wang XL: The effects of betamethasone (BM) on endothelial nitric oxide synthase (eNOS) expression in adult baboon femoral arterial endothelial cells. J Steroid Biochem Mol Biol. 2004 Aug;91(4-5):219-24.@@Gu G, Hentunen TA, Nars M, Harkonen PL, Vaananen HK: Estrogen protects primary osteocytes against glucocorticoid-induced apoptosis. Apoptosis. 2005 May;10(3):583-95.@@de Pablos RM, Villaran RF, Arguelles S, Herrera AJ, Venero JL, Ayala A, Cano J, Machado A: Stress increases vulnerability to inflammation in the rat prefrontal cortex. J Neurosci. 2006 May 24;26(21):5709-19.@@Ayalasomayajula SP, Ashton P, Kompella UB: Fluocinolone inhibits VEGF expression via glucocorticoid receptor in human retinal pigment epithelial (ARPE-19) cells and TNF-alpha-induced angiogenesis in chick chorioallantoic membrane (CAM). J Ocul Pharmacol Ther. 2009 Apr;25(2):97-103. doi: 10.1089/jop.2008.0090."	Approved; Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]					22628	46505795	D00585	PA450500		DAP000090	Mifepristone	CHEMBL1276308	6964
DB00834	Mifepristone	BE0008983	KLK3	P07288	KLK3_HUMAN		15308689	"Kang Z, Janne OA, Palvimo JJ: Coregulator recruitment and histone modifications in transcriptional regulation by the androgen receptor. Mol Endocrinol. 2004 Nov;18(11):2633-48. Epub 2004 Aug 12."	Approved; Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]					22628	46505795	D00585	PA450500		DAP000090	Mifepristone	CHEMBL1276308	6964
DB00834	Mifepristone	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Hormone Antagonists; Blood Glucose Lowering Agents; Estrenes; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Luteolytic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Abortifacient Agents; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Progestational Hormone Receptor Antagonists; Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Adrenal Cortex Hormones; Progestin Antagonist; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Menstruation-Inducing Agents; BSEP/ABCB11 Substrates; Progesterone Receptor Modulators; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]					22628	46505795	D00585	PA450500		DAP000090	Mifepristone	CHEMBL1276308	6964
DB00835	Brompheniramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	1680053; 1970615; 7714410; 7855217; 10212017; 11752352	"Bokesoy TA, Onaran HO: Atypical Schild plots with histamine H1 receptor agonists and antagonists in the rabbit aorta. Eur J Pharmacol. 1991 May 2;197(1):49-56.@@Onaran HO, Bokesoy TA: Kinetics of antagonism at histamine-H1 receptors in isolated rabbit arteries. Naunyn Schmiedebergs Arch Pharmacol. 1990 Apr;341(4):316-23.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1		Brompheniramine H1-Antihistamine Action	drug_action		10205	46508137	D07543	PA448675		DAP001066	Brompheniramine	CHEMBL811	1767
DB00835	Brompheniramine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1		Brompheniramine H1-Antihistamine Action	drug_action		10205	46508137	D07543	PA448675		DAP001066	Brompheniramine	CHEMBL811	1767
DB00835	Brompheniramine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1		Brompheniramine H1-Antihistamine Action	drug_action		10205	46508137	D07543	PA448675		DAP001066	Brompheniramine	CHEMBL811	1767
DB00835	Brompheniramine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	10212017	"Yasuda SU, Yasuda RP: Affinities of brompheniramine, chlorpheniramine, and terfenadine at the five human muscarinic cholinergic receptor subtypes. Pharmacotherapy. 1999 Apr;19(4):447-51."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Allergic Agents; Cytochrome P-450 CYP2B6 Substrates; Muscarinic Antagonists; QTc Prolonging Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Propylamine Derivatives; Substituted Alkylamines; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Agents producing tachycardia; Pyridines	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1		Brompheniramine H1-Antihistamine Action	drug_action		10205	46508137	D07543	PA448675		DAP001066	Brompheniramine	CHEMBL811	1767
DB00836	Loperamide	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	10087042	"DeHaven-Hudkins DL, Burgos LC, Cassel JA, Daubert JD, DeHaven RN, Mansson E, Nagasaka H, Yu G, Yaksh T: Loperamide (ADL 2-1294), an opioid antihyperalgesic agent with peripheral selectivity. J Pharmacol Exp Ther. 1999 Apr;289(1):494-502."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipropulsives; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antidiarrheals; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents"	CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1					2251	46504591	D08144	PA450262		DAP000425	Loperamide	CHEMBL841	6468
DB00836	Loperamide	BE0000356	CACNA1A	O00555	CAC1A_HUMAN	blocker	17139284; 17016423; 8183255	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Church J, Fletcher EJ, Abdel-Hamid K, MacDonald JF: Loperamide blocks high-voltage-activated calcium channels and N-methyl-D-aspartate-evoked responses in rat and mouse cultured hippocampal pyramidal neurons. Mol Pharmacol. 1994 Apr;45(4):747-57."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipropulsives; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antidiarrheals; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Opioid Agonist; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents"	CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1					2251	46504591	D08144	PA450262		DAP000425	Loperamide	CHEMBL841	6468
DB00837	Progabide	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	11752352; 9443561; 2985405	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Agmo A, Belzung C: Interactions between dopamine and GABA in the control of ambulatory activity and neophobia in the mouse. Pharmacol Biochem Behav. 1998 Jan;59(1):239-47.@@Fadda F, Mosca E, Meloni R, Gessa GL: Suppression by progabide of ethanol withdrawal syndrome in rats. Eur J Pharmacol. 1985 Mar 12;109(3):321-5."	Experimental			"Amino Acids; GABA Agents; Aminobutyrates; Psychotropic Drugs; Anti-Parkinson Drugs; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Butyrates; Neurotransmitter Agents; Anticonvulsants; Antidepressive Agents; Nervous System; Acids, Acyclic; Fatty Acid Derivatives; Amino Acids, Peptides, and Proteins; Anti-Dyskinesia Agents"	OC(=N)CCCN=C(C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1						46506568	D05621	PA164747990		DAP000258	Progabide	CHEMBL287631	34568
DB00838	Clocortolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	18691892; 18022656; 12188035	"Ali A, Balkovec JM, Greenlee M, Hammond ML, Rouen G, Taylor G, Einstein M, Ge L, Harris G, Kelly TM, Mazur P, Pandit S, Santoro J, Sitlani A, Wang C, Williamson J, Forrest MJ, Carballo-Jane E, Luell S, Lowitz K, Visco D: Discovery of betamethasone 17alpha-carbamates as dissociated glucocorticoid receptor modulators in the rat. Bioorg Med Chem. 2008 Aug 15;16(16):7535-42. doi: 10.1016/j.bmc.2008.07.037. Epub 2008 Jul 20.@@Buchwald P: Glucocorticoid receptor binding: a biphasic dependence on molecular size as revealed by the bilinear LinBiExp model. Steroids. 2008 Feb;73(2):193-208. Epub 2007 Oct 11.@@Tanigawa K, Nagase H, Ohmori K, Tanaka K, Miyake H, Kiniwa M, Ikizawa K: Species-specific differences in the glucocorticoid receptor transactivation function upon binding with betamethasone-esters. Int Immunopharmacol. 2002 Jun;2(7):941-50."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Pregnanes; Adrenal Cortex Hormones; Anti-Inflammatory Agents; Pregnadienediols; Corticosteroids, Dermatological Preparations; Corticosteroid Hormone Receptor Agonists; Dermatologicals; Pregnadienes; Steroids; Corticosteroids, Moderately Potent (Group II); Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C						46505290	D07719	PA164744013		DAP001190	Clocortolone		21249
DB00841	Dobutamine	BE0000123	ESR1	P03372	ESR1_HUMAN		24928891	"McRobb FM, Kufareva I, Abagyan R: In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor alpha. Toxicol Sci. 2014 Sep;141(1):188-97. doi: 10.1093/toxsci/kfu114. Epub 2014 Jun 13."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Adrenergic alpha-1 Receptor Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Ethylamines; Adrenergic Agents"	CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1		Dobutamine Action Pathway	drug_action		11085	46505241	D03879	PA449381		DAP000245	Dobutamine	CHEMBL926	3616
DB00842	Oxazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"UGT2B7 substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System"	OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2					9956	46506031	D00464	PA450731		DAP000243	Oxazepam	CHEMBL568	7781
DB00842	Oxazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"UGT2B7 substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System"	OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2					9956	46506031	D00464	PA450731		DAP000243	Oxazepam	CHEMBL568	7781
DB00843	Donepezil	BE0002180	BCHE	P06276	CHLE_HUMAN	inducer	16863459; 14751402; 23930233; 11256231	"Seltzer B: Donepezil: a review. Expert Opin Drug Metab Toxicol. 2005 Oct;1(3):527-36. doi: 10.1517/17425255.1.3.527 .@@Liston DR, Nielsen JA, Villalobos A, Chapin D, Jones SB, Hubbard ST, Shalaby IA, Ramirez A, Nason D, White WF: Pharmacology of selective acetylcholinesterase inhibitors: implications for use in Alzheimer's disease. Eur J Pharmacol. 2004 Feb 13;486(1):9-17. doi: 10.1016/j.ejphar.2003.11.080.@@Nordberg A, Ballard C, Bullock R, Darreh-Shori T, Somogyi M: A review of butyrylcholinesterase as a therapeutic target in the treatment of Alzheimer's disease. Prim Care Companion CNS Disord. 2013;15(2). pii: 12r01412. doi: 10.4088/PCC.12r01412. Epub 2013 Mar 7.@@Ogura H, Kosasa T, Kuriya Y, Yamanishi Y: Comparison of inhibitory activities of donepezil and other cholinesterase inhibitors on acetylcholinesterase and butyrylcholinesterase in vitro. Methods Find Exp Clin Pharmacol. 2000 Oct;22(8):609-13."	Approved	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	"Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System"	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1					11485	46504803	D00670	PA449394		DAP000560	Donepezil	CHEMBL502	135447
DB00843	Donepezil	BE0000067	NOS1	P29475	NOS1_HUMAN	inhibitor	20153342; 18580182; 29273047	"Hwang J, Hwang H, Lee HW, Suk K: Microglia signaling as a target of donepezil. Neuropharmacology. 2010 Jun;58(7):1122-9. doi: 10.1016/j.neuropharm.2010.02.003. Epub 2010 Feb 11.@@Nakahata K, Kinoshita H, Hama-Tomioka K, Ishida Y, Matsuda N, Hatakeyama N, Haba M, Kondo T, Hatano Y: Cholinesterase inhibitor donepezil dilates cerebral parenchymal arterioles via the activation of neuronal nitric oxide synthase. Anesthesiology. 2008 Jul;109(1):124-9. doi: 10.1097/ALN.0b013e31817c0316.@@Haraguchi Y, Mizoguchi Y, Ohgidani M, Imamura Y, Murakawa-Hirachi T, Nabeta H, Tateishi H, Kato TA, Monji A: Donepezil suppresses intracellular Ca(2+) mobilization through the PI3K pathway in rodent microglia. J Neuroinflammation. 2017 Dec 22;14(1):258. doi: 10.1186/s12974-017-1033-0."	Approved	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	"Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System"	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1					11485	46504803	D00670	PA449394		DAP000560	Donepezil	CHEMBL502	135447
DB00843	Donepezil	BE0004903	NFKB2	P19838	NFKB1_HUMAN	inhibitor	24189446; 25652642	"Kim HG, Moon M, Choi JG, Park G, Kim AJ, Hur J, Lee KT, Oh MS: Donepezil inhibits the amyloid-beta oligomer-induced microglial activation in vitro and in vivo. Neurotoxicology. 2014 Jan;40:23-32. doi: 10.1016/j.neuro.2013.10.004. Epub 2013 Nov 1.@@Srinivasan M, Lahiri DK: Significance of NF-kappaB as a pivotal therapeutic target in the neurodegenerative pathologies of Alzheimer's disease and multiple sclerosis. Expert Opin Ther Targets. 2015 Apr;19(4):471-87. doi: 10.1517/14728222.2014.989834. Epub 2015 Feb 4."	Approved	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	"Enzyme Inhibitors; Indans; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Anti-Dementia Drugs; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psychoanaleptics; Indenes; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Nootropic Agents; Piperidines; Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System"	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1					11485	46504803	D00670	PA449394		DAP000560	Donepezil	CHEMBL502	135447
DB00844	Nalbuphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	17139284; 17016423; 8388112; 15655510; 16517095; 19403853; 15602503; 10534607; 17407276	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hoehe M, Duka T: Opiates increase plasma catecholamines in humans. Psychoneuroendocrinology. 1993;18(2):141-8.@@Chen SL, Huang EY, Chow LH, Tao PL: Dextromethorphan differentially affects opioid antinociception in rats. Br J Pharmacol. 2005 Feb;144(3):400-4.@@Tao PL, Liang KW, Sung WY, Wu YT, Huang EY: Nalbuphine is effective in decreasing the rewarding effect induced by morphine in rats. Drug Alcohol Depend. 2006 Sep 15;84(2):175-81. Epub 2006 Mar 6.@@Smith MA, Greene-Naples JL, Lyle MA, Iordanou JC, Felder JN: The effects of repeated opioid administration on locomotor activity: I. Opposing actions of mu and kappa receptors. J Pharmacol Exp Ther. 2009 Aug;330(2):468-75. doi: 10.1124/jpet.108.150011. Epub  2009 Apr 29.@@Mello NK, Mendelson JH, Sholar MB, Jaszyna-Gasior M, Goletiani N, Siegel AJ: Effects of the mixed mu/kappa opioid nalbuphine on cocaine-induced changes in subjective and cardiovascular responses in men. Neuropsychopharmacology. 2005 Mar;30(3):618-32.@@Gear RW, Miaskowski C, Gordon NC, Paul SM, Heller PH, Levine JD: The kappa opioid nalbuphine produces gender- and dose-dependent analgesia and antianalgesia in patients with postoperative pain. Pain. 1999 Nov;83(2):339-45.@@Peng X, Knapp BI, Bidlack JM, Neumeyer JL: Pharmacological properties of bivalent ligands containing butorphan linked to nalbuphine, naltrexone, and naloxone at mu, delta, and kappa opioid receptors. J Med Chem. 2007 May 3;50(9):2254-8. Epub 2007 Apr 4."	Approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Semi-synthetic Opioids; Narcotics; Morphinan Derivatives; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opioid Agonist/Antagonist; Central Nervous System Depressants; Alkaloids; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Opioids"	O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5		Nalbuphine Action Pathway	drug_action		2008	46507383	D08246	PA164745372		DAP000380	Nalbuphine	CHEMBL895	7238
DB00845	Clofazimine	BE0000215	PPARG	P37231	PPARG_HUMAN	modulator	31371410	"Kumar H, Chattopadhyay S, Das N, Shree S, Patel D, Mohapatra J, Gurjar A, Kushwaha S, Singh AK, Dubey S, Lata K, Kushwaha R, Mohammed R, Dastidar KG, Yadav N, Vishwakarma AL, Gayen JR, Bandyopadhyay S, Chatterjee A, Jain MR, Tripathi AK, Trivedi AK, Chattopadhyay N, Ramachandran R, Sanyal S: Leprosy drug clofazimine activates peroxisome proliferator-activated receptor-gamma and synergizes with imatinib to inhibit chronic myeloid leukemia cells. Haematologica. 2020 Apr;105(4):971-986. doi: 10.3324/haematol.2018.194910. Epub 2019 Aug 1."	Approved; Investigational	Phenazines and derivatives	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Anti-Inflammatory Agents; Anti-Bacterial Agents; Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Phenazines; Leprostatic Agents; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Drugs for Treatment of Lepra; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antimycobacterials; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anti-Infective Agents"	CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1						46508174	D00278	PA164748759		DAP000789	Clofazimine	CHEMBL1292	2592
DB00846	Flurandrenolide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	20346397; 16255837; 16507850	"Baschant U, Tuckermann J: The role of the glucocorticoid receptor in inflammation and immunity. J Steroid Biochem Mol Biol. 2010 May 31;120(2-3):69-75. doi: 10.1016/j.jsbmb.2010.03.058. Epub 2010 Mar 24.@@Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Corticosteroid Hormone Receptor Agonists; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO					7569	46505159	D00328	PA164750513		DAP000418	Fludroxycortide	CHEMBL1201012	4500
DB00849	Methylphenobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232; 21194017	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232; 21194017	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232; 21194017	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449; 21194017	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Olsen RW, Li GD: GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Can J Anaesth. 2011 Feb;58(2):206-15. doi: 10.1007/s12630-010-9429-7. Epub 2010 Dec 31."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00849	Methylphenobarbital	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	15039302	"Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Nicotinic Antagonists; Phenobarbital and similars; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1						46505197	D00700	PA450374		DAP000680	Methylphenobarbital	CHEMBL45029	6758
DB00850	Perphenazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11873706; 7508675; 7828655; 11752352; 15007534; 2573104	"Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Hoyberg OJ, Fensbo C, Remvig J, Lingjaerde O, Sloth-Nielsen M, Salvesen I: Risperidone versus perphenazine in the treatment of chronic schizophrenic patients with acute exacerbations. Acta Psychiatr Scand. 1993 Dec;88(6):395-402.@@Qin ZH, Weiss B: Dopamine receptor blockade increases dopamine D2 receptor and glutamic acid decarboxylase mRNAs in mouse substantia nigra. Eur J Pharmacol. 1994 Sep 15;269(1):25-33.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Talvik M, Nordstrom AL, Larsen NE, Jucaite A, Cervenka S, Halldin C, Farde L: A cross-validation study on the relationship between central D2 receptor occupancy and serum perphenazine concentration. Psychopharmacology (Berl). 2004 Sep;175(2):148-53. Epub 2004 Mar 6.@@Farde L, Wiesel FA, Nordstrom AL, Sedvall G: D1- and D2-dopamine receptor occupancy during treatment with conventional and atypical neuroleptics. Psychopharmacology (Berl). 1989;99 Suppl:S28-31."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Phenothiazines With Piperazine Structure; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C18 Substrates; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1					8003	46507058	D00503	PA450882		DAP000100	Perphenazine	CHEMBL567	8076
DB00851	Dacarbazine	BE0000716	POLA2	Q14181	DPOA2_HUMAN	other/unknown	17139284; 17016423; 3098406	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lonn U, Lohn S: Prevention of dacarbazine damage of human neoplastic cell DNA by aphidicolin. Cancer Res. 1987 Jan 1;47(1):26-30."	Approved; Investigational	2-heteroaryl carboxamides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Myelosuppressive Agents; Alkylating Activity; Triazenes; Noxae; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Imidazoles; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents, Alkylating; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Narrow Therapeutic Index Drugs; Toxic Actions; Cytochrome P-450 CYP1A2 Substrates"	CN(C)\N=N\C1=C(N=CN1)C(N)=O					2264	46507029	D00288	PA449197		DAP000533	Dacarbazine	CHEMBL476	3098
DB00852	Pseudoephedrine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	15189772; 12373557	"Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25.@@Foley KF, Van Dort ME, Sievert MK, Ruoho AE, Cozzi NV: Stereospecific inhibition of monoamine uptake transporters by meta-hydroxyephedrine isomers. J Neural Transm (Vienna). 2002 Oct;109(10):1229-40."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00852	Pseudoephedrine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	15189772; 12373557	"Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25.@@Foley KF, Van Dort ME, Sievert MK, Ruoho AE, Cozzi NV: Stereospecific inhibition of monoamine uptake transporters by meta-hydroxyephedrine isomers. J Neural Transm (Vienna). 2002 Oct;109(10):1229-40."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00852	Pseudoephedrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17139284; 17016423; 11772135; 7507588	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wellington K, Jarvis B: Cetirizine/pseudoephedrine. Drugs. 2001;61(15):2231-40; discussion 2241-2.@@Johnson DA, Hricik JG: The pharmacology of alpha-adrenergic decongestants. Pharmacotherapy. 1993 Nov-Dec;13(6 Pt 2):110S-115S; discussion 143S-146S."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00852	Pseudoephedrine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	15189772	"Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00852	Pseudoephedrine	BE0004878	NFATC1	O95644	NFAC1_HUMAN	inhibitor	21631396	"Fiebich BL, Collado JA, Stratz C, Valina C, Hochholzer W, Munoz E, Bellido LM: Pseudoephedrine inhibits T-cell activation by targeting NF-kappaB, NFAT and AP-1 signaling pathways. Immunopharmacol Immunotoxicol. 2012 Feb;34(1):98-106. doi: 10.3109/08923973.2011.582118. Epub 2011 Jun 2."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00852	Pseudoephedrine	BE0001086	NFKB1	P19838	NFKB1_HUMAN	inhibitor	21631396	"Fiebich BL, Collado JA, Stratz C, Valina C, Hochholzer W, Munoz E, Bellido LM: Pseudoephedrine inhibits T-cell activation by targeting NF-kappaB, NFAT and AP-1 signaling pathways. Immunopharmacol Immunotoxicol. 2012 Feb;34(1):98-106. doi: 10.3109/08923973.2011.582118. Epub 2011 Jun 2."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Tumor Necrosis Factor Blockers; Autonomic Agents; Amino Alcohols; Amphetamines; Cardiovascular Agents; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Nasal Preparations; Adrenergic Agonists; Sympathomimetic (Adrenergic) Agents; Phenethylamines; Nasal Decongestants for Systemic Use; Agents that produce hypertension; Propanols; Respiratory System Agents; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ethylamines; Sympathomimetics; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1					8942	46508190	D08449	PA451170		DAP000195	Pseudoephedrine	CHEMBL1590	8896
DB00854	Levorphanol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	17039381	Prommer E: Levorphanol: the forgotten opioid. Support Care Cancer. 2007 Mar;15(3):259-64. Epub 2006 Oct 13.	Approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Opioid Agonist; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids"	[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2		Levorphanol Action Pathway	drug_action			46506558	D08123	PA164744368		DAP000268	Levorphanol	CHEMBL592	6378
DB00860	Prednisolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19482847; 2879901	"Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28.@@Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; Corticosteroids for Local Oral Treatment; Corticosteroids, Weak (Group I); Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Corticosteroids Acting Locally; Cytochrome P-450 CYP3A4 Inducers; Stomatological Preparations; P-glycoprotein substrates; Pregnadienetriols; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Antineoplastic Agents; Hormones; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Otologicals; Prednisolone and Prodrugs; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Antidotes; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Antineoplastic Agents, Hormonal; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Vasoprotectives; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C		Prednisolone Action Pathway; Prednisone Metabolism Pathway; Prednisolone Metabolism Pathway; Prednisone Action Pathway	drug_metabolism; drug_action		7630	46504847	D00472	PA451096		DAP000419	Prednisolone	CHEMBL131	8638
DB00862	Vardenafil	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	16926278; 12625845; 11669467; 11890515; 14626653; 12955149; 17959709; 17979301	"Blount MA, Zoraghi R, Ke H, Bessay EP, Corbin JD, Francis SH: A 46-amino acid segment in phosphodiesterase-5 GAF-B domain provides for high vardenafil potency over sildenafil and tadalafil and is involved in phosphodiesterase-5 dimerization. Mol Pharmacol. 2006 Nov;70(5):1822-31. Epub 2006 Aug 22.@@Carrier S: Pharmacology of phosphodiesterase 5 inhibitors. Can J Urol. 2003 Feb;10 Suppl 1:12-6.@@Kim NN, Huang YH, Goldstein I, Bischoff E, Traish AM: Inhibition of cyclic GMP hydrolysis in human corpus cavernosum smooth muscle cells by vardenafil, a novel, selective phosphodiesterase type 5 inhibitor. Life Sci. 2001 Sep 28;69(19):2249-56.@@Saenz de Tejada I, Angulo J, Cuevas P, Fernandez A, Moncada I, Allona A, Lledo E, Korschen HG, Niewohner U, Haning H, Pages E, Bischoff E: The phosphodiesterase inhibitory selectivity and the in vitro and in vivo potency of the new PDE5 inhibitor vardenafil. Int J Impot Res. 2001 Oct;13(5):282-90.@@Scheen AJ: [Medication of the month. Vardenafil (Levitra)]. Rev Med Liege. 2003 Sep;58(9):576-9.@@Sung BJ, Hwang KY, Jeon YH, Lee JI, Heo YS, Kim JH, Moon J, Yoon JM, Hyun YL, Kim E, Eum SJ, Park SY, Lee JO, Lee TG, Ro S, Cho JM: Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules. Nature. 2003 Sep 4;425(6953):98-102.@@Wang H, Ye M, Robinson H, Francis SH, Ke H: Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil. Mol Pharmacol. 2008 Jan;73(1):104-10. Epub 2007 Oct 24.@@Zoraghi R, Francis SH, Corbin JD: Critical amino acids in phosphodiesterase-5 catalytic site that provide for high-affinity interaction with cyclic guanosine monophosphate and inhibitors. Biochemistry. 2007 Nov 27;46(47):13554-63. Epub 2007 Nov 3."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Cytochrome P-450 CYP2C8 Inhibitors (weak); Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction	CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1					13311	46506777	D08668	PA10229		DAP000414	Vardenafil	CHEMBL1520	306674
DB00862	Vardenafil	BE0003556	PDE6G	P18545	CNRG_HUMAN	inhibitor	18779324	"Zhang XJ, Cahill KB, Elfenbein A, Arshavsky VY, Cote RH: Direct allosteric regulation between the GAF domain and catalytic domain of photoreceptor phosphodiesterase PDE6. J Biol Chem. 2008 Oct 31;283(44):29699-705. doi: 10.1074/jbc.M803948200. Epub 2008 Sep 8."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Urological Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Cytochrome P-450 CYP2C8 Inhibitors (weak); Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Phosphodiesterase Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Phosphodiesterase 5 Inhibitors; Drugs Used in Erectile Dysfunction	CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1					13311	46506777	D08668	PA10229		DAP000414	Vardenafil	CHEMBL1520	306674
DB00863	Ranitidine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	7554999; 2667937; 3691636; 7512805; 6085389	"Pattichis K, Louca LL: Histamine, histamine H2-receptor antagonists, gastric acid secretion and ulcers: an overview. Drug Metabol Drug Interact. 1995;12(1):1-36.@@Grant SM, Langtry HD, Brogden RN: Ranitidine. An updated review of its pharmacodynamic and pharmacokinetic properties and therapeutic use in peptic ulcer disease and other allied diseases. Drugs. 1989 Jun;37(6):801-70. doi: 10.2165/00003495-198937060-00003.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Doenicke A, Moss J, Lorenz W, Hoernecke R, Gottardis M: Are hypotension and rash after atracurium really caused by histamine release? Anesth Analg. 1994 May;78(5):967-72. doi: 10.1213/00000539-199405000-00023.@@Kirch W, Hutt HJ, Heidemann H, Ramsch K, Janisch HD, Ohnhaus EE: Drug interactions with nitrendipine. J Cardiovasc Pharmacol. 1984;6 Suppl 7:S982-5."	Approved; Withdrawn			Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Drugs for Acid Related Disorders; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Gastrointestinal Agents; OCT2 Substrates; OCT1 substrates; Anti-Ulcer Agents; Histamine H2 Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Gastric Acid Lowering Agents; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Furans; Acid Reducers; Cholinesterase Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O		Ranitidine Action Pathway	drug_action		11476	46505543	D00422	PA451224		DAP000340	Ranitidine	CHEMBL1790041	9143
DB00865	Benzphetamine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	25499957	"Spencer RC, Devilbiss DM, Berridge CW: The cognition-enhancing effects of psychostimulants involve direct action in the prefrontal cortex. Biol Psychiatry. 2015 Jun 1;77(11):940-50. doi: 10.1016/j.biopsych.2014.09.013. Epub 2014 Sep 28."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Amines; Adrenergic alpha-Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Cytochrome P-450 CYP2B6 Substrates; Dopamine Uptake Inhibitors; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents; Dopamine Agents; Appetite Suppression	C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1						46506102		PA448586		DAP001147	Benzphetamine	CHEMBL3545985	1422
DB00865	Benzphetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	15955613; 15728379	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Kahlig KM, Binda F, Khoshbouei H, Blakely RD, McMahon DG, Javitch JA, Galli A: Amphetamine induces dopamine efflux through a dopamine transporter channel. Proc Natl Acad Sci U S A. 2005 Mar 1;102(9):3495-500. Epub 2005 Feb 22."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Amines; Adrenergic alpha-Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Cytochrome P-450 CYP2B6 Substrates; Dopamine Uptake Inhibitors; Sympathomimetic Amine Anorectic; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents; Dopamine Agents; Appetite Suppression	C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1						46506102		PA448586		DAP001147	Benzphetamine	CHEMBL3545985	1422
DB00867	Ritodrine	BE0010002	ATP2C1	P16615	AT2A2_HUMAN	inhibitor	9735158	"Plenge-Tellechea F, Soler F, Fernandez-Belda F: Ritodrine inhibition of the plasma membrane Ca2+-ATPase from human erythrocyte. Arch Biochem Biophys. 1998 Sep 15;357(2):179-84. doi: 10.1006/abbi.1998.0812."	Approved; Investigational			"Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents"	C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1					20347	46505273	D02359	PA451258		DAP000937	Ritodrine	CHEMBL489553	9392
DB00867	Ritodrine	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	activator	7705467	"Hamada Y, Nakaya Y, Hamada S, Kamada M, Aono T: Activation of K+ channels by ritodrine hydrochloride in uterine smooth muscle cells from pregnant women. Eur J Pharmacol. 1994 Dec 15;288(1):45-51. doi: 10.1016/0922-4106(94)90008-6."	Approved; Investigational			"Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents"	C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1					20347	46505273	D02359	PA451258		DAP000937	Ritodrine	CHEMBL489553	9392
DB00867	Ritodrine	BE0009492	MYLK	Q15746	MYLK_HUMAN	inhibitor	9277068	Sultatos LG: Mechanisms of drugs that affect uterine motility. J Nurse Midwifery. 1997 Jul-Aug;42(4):367-70. doi: 10.1016/s0091-2182(97)60134-2.	Approved; Investigational			"Adrenergic beta-Agonists; Sympathomimetics, Labour Repressants; Amines; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Propanolamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethylamines; Adrenergic Agents; Reproductive Control Agents"	C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1					20347	46505273	D02359	PA451258		DAP000937	Ritodrine	CHEMBL489553	9392
DB00868	Benzonatate	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	antagonist	23258970; 28334901	"Thimann DA, Huang CJ, Goto CS, Feng SY: Benzonatate toxicity in a teenager resulting in coma, seizures, and severe metabolic acidosis. J Pediatr Pharmacol Ther. 2012 Jul;17(3):270-3. doi: 10.5863/1551-6776-17.3.270.@@Bishop-Freeman SC, Shonsey EM, Friederich LW, Beuhler MC, Winecker RE: Benzonatate Toxicity: Nothing to Cough At. J Anal Toxicol. 2017 Jun 1;41(5):461-463. doi: 10.1093/jat/bkx021."	Approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydrocarbons, Acyclic; Non-narcotic Antitussive; Antitussive Agents; Amines; Central Nervous System Agents; Cholinesterase substrates; Cough and Cold Preparations; Decreased Tracheobronchial Stretch Receptor Activity; Butanes; Respiratory System Agents; Alkanes"	CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC						46506376	D00242	PA164745459		DAP000514	Benzonatate	CHEMBL1374379	18993
DB00869	Dorzolamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	8875343	"Sugrue MF: The preclinical pharmacology of dorzolamide hydrochloride, a topical carbonic anhydrase inhibitor. J Ocul Pharmacol Ther. 1996 Fall;12(3):363-76."	Approved	"2,3,5-trisubstituted thiophenes"	"Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes"	"Enzyme Inhibitors; Intraocular Pressure, drug effects; Antihypertensive Agents; Amides; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2E1 Substrates; Diuretics; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs"	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11213	46506754	D07871	PA164748765		DAP000775	Dorzolamide	CHEMBL218490	60207
DB00869	Dorzolamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	8070313; 9029437; 8875343	"Hasegawa T, Hara K, Hata S: Binding of dorzolamide and its metabolite, N-deethylated dorzolamide, to human erythrocytes in vitro. Drug Metab Dispos. 1994 May-Jun;22(3):377-82.@@Maren TH, Conroy CW, Wynns GC, Levy NS: Ocular absorption, blood levels, and excretion of dorzolamide, a topically active carbonic anhydrase inhibitor. J Ocul Pharmacol Ther. 1997 Feb;13(1):23-30.@@Sugrue MF: The preclinical pharmacology of dorzolamide hydrochloride, a topical carbonic anhydrase inhibitor. J Ocul Pharmacol Ther. 1996 Fall;12(3):363-76."	Approved	"2,3,5-trisubstituted thiophenes"	"Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes"	"Enzyme Inhibitors; Intraocular Pressure, drug effects; Antihypertensive Agents; Amides; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2E1 Substrates; Diuretics; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs"	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11213	46506754	D07871	PA164748765		DAP000775	Dorzolamide	CHEMBL218490	60207
DB00869	Dorzolamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved	"2,3,5-trisubstituted thiophenes"	"Organic compounds; Organoheterocyclic compounds; Thiophenes; 2,3,5-trisubstituted thiophenes"	"Enzyme Inhibitors; Intraocular Pressure, drug effects; Antihypertensive Agents; Amides; Cardiovascular Agents; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2E1 Substrates; Diuretics; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs"	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11213	46506754	D07871	PA164748765		DAP000775	Dorzolamide	CHEMBL218490	60207
DB14596	Loteprednol etabonate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	2004037; 17020532; 12861354; 15684812; 11752352	"Druzgala P, Hochhaus G, Bodor N: Soft drugs--10. Blanching activity and receptor binding affinity of a new type of glucocorticoid: loteprednol etabonate. J Steroid Biochem Mol Biol. 1991 Feb;38(2):149-54.@@Bodor N, Buchwald P: Corticosteroid design for the treatment of asthma: structural insights and the therapeutic potential of soft corticosteroids. Curr Pharm Des. 2006;12(25):3241-60.@@Szelenyi I, Hochhaus G, Heer S, Kusters S, Marx D, Poppe H, Engel J: Loteprednol etabonate: a soft steroid for the treatment of allergic diseases of the airways. Drugs Today (Barc). 2000 May;36(5):313-20.@@Samudre SS, Lattanzio FA Jr, Williams PB, Sheppard JD Jr: Comparison of topical steroids for acute anterior uveitis. J Ocul Pharmacol Ther. 2004 Dec;20(6):533-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	Fused-Ring Compounds; Androstadienes; Anti-Allergic Agents; Corticosteroids; Immunosuppressive Agents; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes	[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					20429	46504713	D01689	PA164764569		DAP001045	Loteprednol	CHEMBL1200865	
DB00875	Flupentixol	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 11873706; 6149133; 7498321; 1674528; 8797192; 17111172	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Ogren SO, Hall H, Kohler C, Magnusson O, Lindbom LO, Angeby K, Florvall L: Remoxipride, a new potential antipsychotic compound with selective antidopaminergic actions in the rat brain. Eur J Pharmacol. 1984 Jul 20;102(3-4):459-74.@@Arnt J: Differential effects of classical and newer antipsychotics on the hypermotility induced by two dose levels of D-amphetamine. Eur J Pharmacol. 1995 Sep 5;283(1-3):55-62.@@Huettl P, Gerhardt GA, Browning MD, Masserano JM: Effects of dopamine receptor agonists and antagonists on catecholamine release in bovine chromaffin cells. J Pharmacol Exp Ther. 1991 May;257(2):567-74.@@Nilsson CL, Ekman A, Hellstrand M, Eriksson E: Inverse agonism at dopamine D2 receptors. Haloperidol-induced prolactin release from GH4C1 cells transfected with the human D2 receptor is antagonized by R(-)-n-propylnorapomorphine, raclopride, and phenoxybenzamine. Neuropsychopharmacology. 1996 Jul;15(1):53-61.@@Reimold M, Solbach C, Noda S, Schaefer JE, Bartels M, Beneke M, Machulla HJ, Bares R, Glaser T, Wormstall H: Occupancy of dopamine D(1), D (2) and serotonin (2A) receptors in schizophrenic patients treated with flupentixol in comparison with risperidone and haloperidol. Psychopharmacology (Berl). 2007 Feb;190(2):241-9. Epub 2006 Nov 17."	Approved; Investigational; Withdrawn	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F					2170	46507816	D01044	PA10268		DAP000026	Flupentixol	CHEMBL54661	4495
DB00875	Flupentixol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	10843225; 24915451	"Li X, Murray WV, Jolliffe L, Pulito V: Novel arylpiperazines as selective alpha1-adrenergic receptor antagonists. Bioorg Med Chem Lett. 2000 May 15;10(10):1093-6. doi: 10.1016/s0960-894x(00)00169-4.@@Mahapatra J, Quraishi SN, David A, Sampson S, Adams CE: Flupenthixol decanoate (depot) for schizophrenia or other similar psychotic disorders. Cochrane Database Syst Rev. 2014 Jun 10;(6):CD001470. doi: 10.1002/14651858.CD001470.pub2."	Approved; Investigational; Withdrawn	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F					2170	46507816	D01044	PA10268		DAP000026	Flupentixol	CHEMBL54661	4495
DB00875	Flupentixol	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	24915451	"Mahapatra J, Quraishi SN, David A, Sampson S, Adams CE: Flupenthixol decanoate (depot) for schizophrenia or other similar psychotic disorders. Cochrane Database Syst Rev. 2014 Jun 10;(6):CD001470. doi: 10.1002/14651858.CD001470.pub2."	Approved; Investigational; Withdrawn	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F					2170	46507816	D01044	PA10268		DAP000026	Flupentixol	CHEMBL54661	4495
DB00875	Flupentixol	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	24915451	"Mahapatra J, Quraishi SN, David A, Sampson S, Adams CE: Flupenthixol decanoate (depot) for schizophrenia or other similar psychotic disorders. Cochrane Database Syst Rev. 2014 Jun 10;(6):CD001470. doi: 10.1002/14651858.CD001470.pub2."	Approved; Investigational; Withdrawn	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F					2170	46507816	D01044	PA10268		DAP000026	Flupentixol	CHEMBL54661	4495
DB00877	Sirolimus	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	20005306; 19620795; 12742462; 11752352; 15365568; 33141044	"Dowling RJ, Topisirovic I, Fonseca BD, Sonenberg N: Dissecting the role of mTOR: lessons from mTOR inhibitors. Biochim Biophys Acta. 2010 Mar;1804(3):433-9. doi: 10.1016/j.bbapap.2009.12.001.  Epub 2009 Dec 11.@@Shuuin T, Karashima H: [Mammalian target of rapamycin, its mode of action and clinical response in metastatic clear cell carcinoma]. Gan To Kagaku Ryoho. 2009 Jul;36(7):1076-9.@@Sehgal SN: Sirolimus: its discovery, biological properties, and mechanism of action. Transplant Proc. 2003 May;35(3 Suppl):7S-14S.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chan S: Targeting the mammalian target of rapamycin (mTOR): a new approach to treating cancer. Br J Cancer. 2004 Oct 18;91(8):1420-4.@@Ozates NP, Sogutlu F, Lerminoglu F, Demir B, Gunduz C, Shademan B, Avci CB: Effects of rapamycin and AZD3463 combination on apoptosis, autophagy, and cell cycle for resistance control in breast cancer. Life Sci. 2021 Jan 1;264:118643. doi: 10.1016/j.lfs.2020.118643. Epub 2020 Oct 24."	Approved; Investigational	Macrolide lactams	Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams	"OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Sirolimus and Prodrugs; Immunotherapy; Cytochrome P-450 Substrates; Antifungal Agents; Immunologic Factors; mTOR Inhibitor Immunosuppressant; Decreased Immunologic Activity; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Selective Immunosuppressants; Lactones; Polyketides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Ophthalmologicals; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Sensory Organs"	[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC					12064	46505675	D00753	PA451365		DNC001197	Sirolimus	CHEMBL413	35302
DB00880	Chlorothiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor			Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Antihypertensive Agents; Hyperglycemia-Associated Agents; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1		Chlorothiazide Action Pathway	drug_action		10203	46507032	D00519	PA448953		DAP000605	Chlorothiazide	CHEMBL842	2396
DB00880	Chlorothiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	10713865; 10954127	"Puscas I, Coltau M, Baican M, Domuta G, Hecht A: Vasodilatory effect of diuretics is dependent on inhibition of vascular smooth muscle carbonic anhydrase by a direct mechanism of action. Drugs Exp Clin Res. 1999;25(6):271-9.@@Puscas I, Coltau M, Baican M, Pasca R, Domuta G: The inhibitory effect of diuretics on carbonic anhydrases. Res Commun Mol Pathol Pharmacol. 1999;105(3):213-36."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Antihypertensive Agents; Hyperglycemia-Associated Agents; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1		Chlorothiazide Action Pathway	drug_action		10203	46507032	D00519	PA448953		DAP000605	Chlorothiazide	CHEMBL842	2396
DB00881	Quinapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11752352; 11817979; 3020249; 11929321	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Culy CR, Jarvis B: Quinapril: a further update of its pharmacology and therapeutic use in cardiovascular disorders. Drugs. 2002;62(2):339-85.@@Klutchko S, Blankley CJ, Fleming RW, Hinkley JM, Werner AE, Nordin I, Holmes A, Hoefle ML, Cohen DM, Essenburg AD, et al.: Synthesis of novel angiotensin converting enzyme inhibitor quinapril and related compounds. A divergence of structure-activity relationships for non-sulfhydryl and sulfhydryl types. J Med Chem. 1986 Oct;29(10):1953-61.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24."	Approved; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Hypotensive Agents; Protease Inhibitors; Heterocyclic Compounds, Fused-Ring; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Tetrahydroisoquinolines; Angiotensin-Converting Enzyme Inhibitors; Isoquinolines"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O		Quinapril Action Pathway; Quinapril Metabolism Pathway	drug_metabolism; drug_action		11161	46506309	D03752	PA451205		DAP000588	Quinapril	CHEMBL1592	35208
DB00882	Clomifene	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	2011412; 20379036; 20091498; 19821295; 17055820; 19761360; 18320435; 15878925; 11752352	"Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Kurosawa T, Hiroi H, Momoeda M, Inoue S, Taketani Y: Clomiphene citrate elicits estrogen agonistic/antagonistic effects differentially via estrogen receptors alpha and beta. Endocr J. 2010;57(6):517-21. Epub 2010 Apr 6.@@Hughes E, Brown J, Collins JJ, Vanderkerchove P: Clomiphene citrate for unexplained subfertility in women. Cochrane Database Syst Rev. 2010 Jan 20;(1):CD000057. doi: 10.1002/14651858.CD000057.pub2.@@Brown J, Farquhar C, Beck J, Boothroyd C, Hughes E: Clomiphene and anti-oestrogens for ovulation induction in PCOS. Cochrane Database Syst Rev. 2009 Oct 7;(4):CD002249. doi: 10.1002/14651858.CD002249.pub4.@@Authors unspecified: Use of clomiphene citrate in women. Fertil Steril. 2006 Nov;86(5 Suppl 1):S187-93.@@Overbeek A, Lambalk N: Pharmacogenomics of ovulation induction: facilitating decisions on who, when and how to treat. Pharmacogenomics. 2009 Sep;10(9):1377-9. doi: 10.2217/pgs.09.110.@@Homburg R: Oral agents for ovulation induction--clomiphene citrate versus aromatase inhibitors. Hum Fertil (Camb). 2008 Mar;11(1):17-22. doi: 10.1080/14647270701689670.@@Homburg R: Clomiphene citrate--end of an era? A mini-review. Hum Reprod. 2005 Aug;20(8):2043-51. Epub 2005 May 5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fertility Agents, Female; Stilbenes; Benzylidene Compounds; Estrogen Agonist/Antagonist; Hormone Antagonists; Benzene Derivatives; Ovulation Stimulants, Synthetic; Estrogen Receptor Modulators; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Estrogen Antagonists; Fertility Agents; Selective Estrogen Receptor Modulators; Clomiphene; Estrogen Agonist-antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1					9785	46504463	D07726	PA449046		DAP001013	Clomifene	CHEMBL2355051	2596
DB00886	Omapatrilat	BE0000266	MME	P08473	NEP_HUMAN		10856267; 10856268; 10933361; 11040230; 11041166	"Intengan HD, Schiffrin EL: Vasopeptidase inhibition has potent effects on blood pressure and resistance arteries in stroke-prone spontaneously hypertensive rats. Hypertension. 2000 Jun;35(6):1221-5.@@Azizi M, Massien C, Michaud A, Corvol P: In vitro and in vivo inhibition of the 2 active sites of ACE by omapatrilat, a vasopeptidase inhibitor. Hypertension. 2000 Jun;35(6):1226-31.@@McClean DR, Ikram H, Garlick AH, Richards AM, Nicholls MG, Crozier IG: The clinical, cardiac, renal, arterial and neurohormonal effects of omapatrilat, a vasopeptidase inhibitor, in patients with chronic heart failure. J Am Coll Cardiol. 2000 Aug;36(2):479-86.@@Troughton RW, Rademaker MT, Powell JD, Yandle TG, Espiner EA, Frampton CM, Nicholls MG, Richards AM: Beneficial renal and hemodynamic effects of omapatrilat in mild and severe heart failure. Hypertension. 2000 Oct;36(4):523-30.@@Burrell LM, Droogh J, Man in't Veld O, Rockell MD, Farina NK, Johnston CI: Antihypertensive and antihypertrophic effects of omapatrilat in SHR. Am J Hypertens. 2000 Oct;13(10):1110-6."	Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Thiepins; Vasopeptidase Inhibitors; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Sulfur Compounds; Agents that produce hypertension; Angiotensin-Converting Enzyme Inhibitors; Metalloendopeptidases, antagonists & inhibitors; Azepines"	[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O						175426852	D01970				Omapatrilat	CHEMBL289556	
DB00886	Omapatrilat	BE0000221	ACE	P12821	ACE_HUMAN		10856268; 11588409; 12487427; 12584671; 10598120	"Azizi M, Massien C, Michaud A, Corvol P: In vitro and in vivo inhibition of the 2 active sites of ACE by omapatrilat, a vasopeptidase inhibitor. Hypertension. 2000 Jun;35(6):1226-31.@@Ferdinand KC: Advances in antihypertensive combination therapy: benefits of low-dose thiazide diuretics in conjunction with omapatrilat, a vasopeptidase inhibitor. J Clin Hypertens (Greenwich). 2001 Sep-Oct;3(5):307-12.@@Heudi O, Ramirez-Molina C, Marshall P, Amour A, Peace S, McKeown S, Abou-Shakra F: Investigation of bradykinin metabolism in human and rat plasma in the presence of the dual ACE/NEP inhibitors GW660511X and omapatrilat. J Pept Sci. 2002 Nov;8(11):591-600.@@Neal B, MacMahon S, Ohkubo T, Brnabic A, Tonkin A: Effects of the vasopeptidase inhibitor, omapatrilat, in 723 patients with coronary heart disease. J Renin Angiotensin Aldosterone Syst. 2002 Dec;3(4):270-6.@@Trippodo NC, Fox M, Monticello TM, Panchal BC, Asaad MM: Vasopeptidase inhibition with omapatrilat improves cardiac geometry and survival in cardiomyopathic hamsters more than does ACE inhibition with captopril. J Cardiovasc Pharmacol. 1999 Dec;34(6):782-90."	Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Thiepins; Vasopeptidase Inhibitors; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Sulfur Compounds; Agents that produce hypertension; Angiotensin-Converting Enzyme Inhibitors; Metalloendopeptidases, antagonists & inhibitors; Azepines"	[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O						175426852	D01970				Omapatrilat	CHEMBL289556	
DB00887	Bumetanide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	10561751; 9587066; 9690036; 11752352; 19141616	"Thakker RV: Chloride channels in renal disease. Adv Nephrol Necker Hosp. 1999;29:289-98.@@Karolyi L, Koch MC, Grzeschik KH, Seyberth HW: The molecular genetic approach to ""Bartter's syndrome"". J Mol Med (Berl). 1998 Apr;76(5):317-25.@@Thakker RV: The role of renal chloride channel mutations in kidney stone disease and nephrocalcinosis. Curr Opin Nephrol Hypertens. 1998 Jul;7(4):385-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Long P, Mercer A, Begum R, Stephens GJ, Sihra TS, Jovanovic JN: Nerve Terminal GABAA Receptors Activate Ca2+/Calmodulin-dependent Signaling to Inhibit Voltage-gated Ca2+ Influx and Glutamate Release. J Biol Chem. 2009 Mar 27;284(13):8726-37. doi: 10.1074/jbc.M805322200. Epub 2009  Jan 13."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates"	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O		Bumetanide Action Pathway	drug_action		1374	46508147	D00247	PA448682		DAP000361	Bumetanide	CHEMBL1072	1808
DB00887	Bumetanide	BE0000281	SLC12A2	P55011	S12A2_HUMAN	inhibitor	10567922; 10831596; 11292635; 11443057; 11698253	"Panet R, Marcus M, Atlan H: Overexpression of the Na(+)/K(+)/Cl(-) cotransporter gene induces cell proliferation and phenotypic transformation in mouse fibroblasts. J Cell Physiol. 2000 Jan;182(1):109-18.@@Evans RL, Park K, Turner RJ, Watson GE, Nguyen HV, Dennett MR, Hand AR, Flagella M, Shull GE, Melvin JE: Severe impairment of salivation in Na+/K+/2Cl- cotransporter (NKCC1)-deficient mice. J Biol Chem. 2000 Sep 1;275(35):26720-6.@@Wall SM, Fischer MP, Mehta P, Hassell KA, Park SJ: Contribution of the Na+-K+-2Cl- cotransporter NKCC1 to Cl- secretion in rat OMCD. Am J Physiol Renal Physiol. 2001 May;280(5):F913-21.@@Akar F, Jiang G, Paul RJ, O'Neill WC: Contractile regulation of the Na(+)-K(+)-2Cl(-) cotransporter in vascular smooth muscle. Am J Physiol Cell Physiol. 2001 Aug;281(2):C579-84.@@Jiang G, Klein JD, O'Neill WC: Growth factors stimulate the Na-K-2Cl cotransporter NKCC1 through a novel Cl(-)-dependent mechanism. Am J Physiol Cell Physiol. 2001 Dec;281(6):C1948-53."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates"	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O		Bumetanide Action Pathway	drug_action		1374	46508147	D00247	PA448682		DAP000361	Bumetanide	CHEMBL1072	1808
DB00887	Bumetanide	BE0000047	SLC12A5	Q9H2X9	S12A5_HUMAN	inhibitor	10793196	"Reid KH, Guo SZ, Iyer VG: Agents which block potassium-chloride cotransport prevent sound-triggered seizures in post-ischemic audiogenic seizure-prone rats. Brain Res. 2000 May 2;864(1):134-7."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates"	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O		Bumetanide Action Pathway	drug_action		1374	46508147	D00247	PA448682		DAP000361	Bumetanide	CHEMBL1072	1808
DB00887	Bumetanide	BE0001195	CFTR	P13569	CFTR_HUMAN	antagonist	9886939	"Reddy MM, Quinton PM: Bumetanide blocks CFTR GCl in the native sweat duct. Am J Physiol. 1999 Jan;276(1 Pt 1):C231-7."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"OAT3/SLC22A8 Substrates; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Cardiovascular Agents; Sulfones; Benzoates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Increased Diuresis at Loop of Henle; Sulfonamides; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; High-Ceiling Diuretics; Acids, Carbocyclic; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; OAT3/SLC22A8 Inhibitors; High-Ceiling Diuretics and Potassium-Sparing Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; meta-Aminobenzoates"	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O		Bumetanide Action Pathway	drug_action		1374	46508147	D00247	PA448682		DAP000361	Bumetanide	CHEMBL1072	1808
DB00890	Dienestrol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	3334987; 3622377; 9048584; 9558716; 15276617; 18976723; 11752352	"Juriansz RL, Huseby RA, Wilcox RB: Interactions of putative estrogens with the intracellular receptor complex in mouse Leydig cells: relationship to preneoplastic hyperplasia. Cancer Res. 1988 Jan 1;48(1):14-8.@@Grove RI, Korach KS: Estrogen stimulation of phosphatidylinositol metabolism in mouse uterine tissue. Endocrinology. 1987 Sep;121(3):1083-8.@@Kuiper GG, Carlsson B, Grandien K, Enmark E, Haggblad J, Nilsson S, Gustafsson JA: Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.@@Chae K, Lindzey J, McLachlan JA, Korach KS: Estrogen-dependent gene regulation by an oxidative metabolite of diethylstilbestrol, diethylstilbestrol-4',4""-quinone. Steroids. 1998 Mar;63(3):149-57.@@Bovee TF, Helsdingen RJ, Rietjens IM, Keijer J, Hoogenboom RL: Rapid yeast estrogen bioassays stably expressing human estrogen receptors alpha and beta, and green fluorescent protein: a comparison of different compounds with both receptor types. J Steroid Biochem Mol Biol. 2004 Jul;91(3):99-109.@@Maru BS, Tobias JH, Rivers C, Caunt CJ, Norman MR, McArdle CA: Potential use of an estrogen-glucocorticoid receptor chimera as a drug screen for tissue selective estrogenic activity. Bone. 2009 Jan;44(1):102-12. doi: 10.1016/j.bone.2008.09.016. Epub 2008 Oct 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational			"Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Phenols; Estrogens; Benzylidene Compounds; Benzyl Compounds; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Dihydrostilbenoids; Synthetic Estrogens, Plain; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1					7377	46504661	D00898	PA164745534		DAP001015	Dienestrol	CHEMBL1018	3368
DB00892	Oxybuprocaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 19429093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hung CH, Wang JJ, Chen YC, Chu CC, Chen YW: Intrathecal oxybuprocaine and proxymetacaine produced potent and long-lasting spinal anesthesia in rats. Neurosci Lett. 2009 May 1;454(3):249-53. doi: 10.1016/j.neulet.2009.03.018. Epub  2009 Mar 11."	Approved; Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Dermatologicals; Benzene Derivatives; Central Nervous System Depressants; Benzoates; Anesthetics; Aminobenzoates; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); Peripheral Nervous System Agents; para-Aminobenzoates; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Cholinesterase substrates; Sensory Organs"	CCCCOC1=CC(=CC=C1N)C(=O)OCCN(CC)CC		Oxybuprocaine Action Pathway	drug_action		6189	46505399	D08319	PA164764617		DAP001231	Oxybuprocaine	CHEMBL1200	18889
DB00894	Testolactone	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	11752352; 11792932; 9521275; 16766117; 16190763	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Raman JD, Schlegel PN: Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.@@Herzog AG, Klein P, Jacobs AR: Testosterone versus testosterone and testolactone in treating reproductive and sexual dysfunction in men with epilepsy and hypogonadism. Neurology. 1998 Mar;50(3):782-4.@@Dunkel L: Use of aromatase inhibitors to increase final height. Mol Cell Endocrinol. 2006 Jul 25;254-255:207-16.@@Cepa MM, Tavares da Silva EJ, Correia-da-Silva G, Roleira FM, Teixeira NA: Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. J Med Chem. 2005 Oct 6;48(20):6379-85."	Approved; Investigational	Naphthopyrans	Organic compounds; Organoheterocyclic compounds; Naphthopyrans	"Fused-Ring Compounds; Androstadienes; Steroids; Aromatase Inhibitors; Antineoplastic Agents, Hormonal; Androstanes; Drugs that are Mainly Renally Excreted; Homosteroids; Androstenes; Antineoplastic Agents"	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]						46508076	D00153	PA164743056		DAP000624	Testolactone	CHEMBL1571	10378
DB00895	Benzylpenicilloyl polylysine	BE0000049	FCER1G	P30273	FCERG_HUMAN	agonist	17139284; 17016423; 7436456; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chandra RK, Joglekar SA, Tomas E: Penicillin allergy: anti-penicillin IgE antibodies and immediate hypersensitivity skin reactions employing major and minor determinants of penicillin. Arch Dis Child. 1980 Nov;55(11):857-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; Drug Hypersensitivity; Acetamides; Heterocyclic Compounds, Fused-Ring; Lactams; Anti-Bacterial Agents; Antibacterials for Systemic Use; Sulfur Compounds; Amides; Penicillins; Benzene Derivatives; Antiinfectives for Systemic Use"						8362	46505002		PA164754810		DAP001314	Benzylpenicilloyl_polylysine	CHEMBL1201779	19079
DB00896	Rimexolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	2386110	"Hochhaus G, Moellmann HW: Binding affinities of rimexolone (ORG 6216), flunisolide and their putative metabolites for the glucocorticoid receptor of human synovial tissue. Agents Actions. 1990 Jun;30(3-4):377-80."	Approved	20-oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					187	46504820	D05729	PA164752251		DAP000420	Rimexolone	CHEMBL1200617	55681
DB00897	Triazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Drugs that are Mainly Renally Excreted; Psycholeptics; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12					2117	46509147	D00387	PA451753		DAP000244	Triazolam	CHEMBL646	10767
DB00897	Triazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Drugs that are Mainly Renally Excreted; Psycholeptics; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Adjuvants, Anesthesia; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12					2117	46509147	D00387	PA451753		DAP000244	Triazolam	CHEMBL646	10767
DB00898	Ethanol	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17139284; 17016423; 21289476; 21204417; 21204407; 21163614	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wang J, Lanfranco MF, Gibb SL, Ron D: Ethanol-mediated long-lasting adaptations of the NR2B-containing NMDA receptors in the dorsomedial striatum. Channels (Austin). 2011 May-Jun;5(3):205-9. Epub 2011 May 1.@@Ron D, Wang J: The NMDA Receptor and Alcohol Addiction .@@Williams K: Extracellular Modulation of NMDA Receptors .@@Xu M, Smothers CT, Woodward JJ: Effects of ethanol on phosphorylation site mutants of recombinant N-methyl-D-aspartate receptors. Alcohol. 2011 Jun;45(4):373-80. doi: 10.1016/j.alcohol.2010.08.015. Epub 2010 Dec 15."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	17139284; 17016423; 21044637; 20713066; 9452448	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fuentealba J, Munoz B, Yevenes G, Moraga-Cid G, Perez C, Guzman L, Rigo JM, Aguayo LG: Potentiation and inhibition of glycine receptors by tutin. Neuropharmacology. 2011 Feb-Mar;60(2-3):453-9. doi: 10.1016/j.neuropharm.2010.10.023. Epub 2010 Oct 31.@@Baenziger JE, Corringer PJ: 3D structure and allosteric modulation of the transmembrane domain of pentameric ligand-gated ion channels. Neuropharmacology. 2011 Jan;60(1):116-25. doi: 10.1016/j.neuropharm.2010.08.007.  Epub 2010 Aug 14.@@Ye Q, Koltchine VV, Mihic SJ, Mascia MP, Wick MJ, Finn SE, Harrison NL, Harris RA: Enhancement of glycine receptor function by ethanol is inversely correlated with molecular volume at position alpha267. J Biol Chem. 1998 Feb 6;273(6):3314-9."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000745	GLRA2	P23416	GLRA2_HUMAN	agonist	17139284; 17016423; 9452448; 20713066	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ye Q, Koltchine VV, Mihic SJ, Mascia MP, Wick MJ, Finn SE, Harrison NL, Harris RA: Enhancement of glycine receptor function by ethanol is inversely correlated with molecular volume at position alpha267. J Biol Chem. 1998 Feb 6;273(6):3314-9.@@Baenziger JE, Corringer PJ: 3D structure and allosteric modulation of the transmembrane domain of pentameric ligand-gated ion channels. Neuropharmacology. 2011 Jan;60(1):116-25. doi: 10.1016/j.neuropharm.2010.08.007.  Epub 2010 Aug 14."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000381	GABRA2	P47869	GBRA2_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		12970385	"Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000471	GABRA5	P31644	GBRA5_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000523	GABRA3	P34903	GBRA3_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000640	GRIA1	P42261	GRIA1_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000679	CACNG1	Q06432	CCG1_HUMAN		12970385	"Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000764	GABRA6	Q16445	GBRA6_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000829	GRIA2	P42262	GRIA2_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000830	GRIA4	P48058	GRIA4_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000831	GRIA3	P42263	GRIA3_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN		19342616; 24145411	"Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0001030	KCNJ6	P48051	KCNJ6_HUMAN		19342616; 24145411	"Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0002344	GABRB1	P18505	GBRB1_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0002345	GABRB3	P28472	GBRB3_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0002346	GABRB2	P47870	GBRB2_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN		12970385	"Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003584	CHRNB4	P30926	ACHB4_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003588	CHRNB3	Q05901	ACHB3_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003593	GABRG1	Q8N1C3	GBRG1_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003594	GABRG3	Q99928	GBRG3_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003596	GABRP	O00591	GBRP_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003597	GABRQ	Q9UN88	GBRT_HUMAN		17591544; 12921221	"Santhakumar V, Wallner M, Otis TS: Ethanol acts directly on extrasynaptic subtypes of GABAA receptors to increase tonic inhibition. Alcohol. 2007 May;41(3):211-21.@@Davies M: The role of GABAA receptors in mediating the effects of alcohol in the central nervous system. J Psychiatry Neurosci. 2003 Jul;28(4):263-74."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0004706	SLC29A2	Q14542	S29A2_HUMAN		19298329	"Allen-Gipson DS, Jarrell JC, Bailey KL, Robinson JE, Kharbanda KK, Sisson JH, Wyatt TA: Ethanol blocks adenosine uptake via inhibiting the nucleoside transport system in bronchial epithelial cells. Alcohol Clin Exp Res. 2009 May;33(5):791-8. doi: 10.1111/j.1530-0277.2009.00897.x. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0009583	HTR3B	O95264	5HT3B_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0009585	HTR3D	Q70Z44	5HT3D_HUMAN		19270242	"Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0005108	CACNG2	Q9Y698	CCG2_HUMAN		12970385	"Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0005190	KCNJ9	Q92806	KCNJ9_HUMAN		19342616; 24145411	"Spanagel R: Alcoholism: a systems approach from molecular physiology to addictive behavior. Physiol Rev. 2009 Apr;89(2):649-705. doi: 10.1152/physrev.00013.2008.@@Bodhinathan K, Slesinger PA: Molecular mechanism underlying ethanol activation of G-protein-gated inwardly rectifying potassium channels. Proc Natl Acad Sci U S A. 2013 Nov 5;110(45):18309-14. doi: 10.1073/pnas.1311406110. Epub 2013 Oct 21."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0008999	L1CAM	P32004	L1CAM_HUMAN		18165316	"Arevalo E, Shanmugasundararaj S, Wilkemeyer MF, Dou X, Chen S, Charness ME, Miller KW: An alcohol binding site on the neural cell adhesion molecule L1. Proc Natl Acad Sci U S A. 2008 Jan 8;105(1):371-5. doi: 10.1073/pnas.0707815105.  Epub 2007 Dec 28."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00899	Remifentanil	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	19878098; 18325678	"Wong GT, Li R, Jiang LL, Irwin MG: Remifentanil post-conditioning attenuates cardiac ischemia-reperfusion injury via kappa or delta opioid receptor activation. Acta Anaesthesiol Scand. 2010 Apr;54(4):510-8. doi: 10.1111/j.1399-6576.2009.02145.x. Epub 2009 Oct 29.@@Pascoe JE, Williams KL, Mukhopadhyay P, Rice KC, Woods JH, Ko MC: Effects of mu, kappa, and delta opioid receptor agonists on the function of hypothalamic-pituitary-adrenal axis in monkeys. Psychoneuroendocrinology. 2008 May;33(4):478-86. doi: 10.1016/j.psyneuen.2008.01.006. Epub 2008 Mar 5."	Approved	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Anesthetics, General; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Phenylpiperidine opioids; Hypotensive Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Anesthetics; Opiate Agonists; Anesthetics, Intravenous; High-risk opioids; Opioid Agonist; Acids, Acyclic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Propionates; Opioids, Anilidopiperidine; Piperidines; Central Nervous System Agents; Fentanyl and fentanyl analogues; Bradycardia-Causing Agents; Nervous System; Opioid Anesthetics; Opioids"	CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC		Remifentanil Action Pathway	drug_action		11311	46504538	D08473	PA451232		DAP000264	Remifentanil	CHEMBL1005	73032
DB00902	Methdilazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 11752352; 9700532; 20012879	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chattopadhyay D, Mukherjee T, Pal P, Saha B, Bhadra R: Altered membrane permeability as the basis of bactericidal action of methdilazine. J Antimicrob Chemother. 1998 Jul;42(1):83-6.@@Dasgupta A, Chaki S, Mukherjee S, Lourduraja J, Mazumdar K, Dutta NK, Dastidar SG: Experimental analyses of synergistic combinations of antibiotics with a recently recognised antibacterial agent, lacidipine. Eur J Clin Microbiol Infect Dis. 2010 Feb;29(2):239-43. doi: 10.1007/s10096-009-0845-y. Epub 2009 Dec 13."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazine Derivatives; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Histamine Antagonists; Histamine H1 Antagonists; Sulfur Compounds; Antihistamines for Systemic Use"	CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1		Methdilazine H1-Antihistamine Action	drug_action			46505472	D04979	PA164743018		DAP001070	Methdilazine	CHEMBL1200959	29648
DB00903	Etacrynic acid	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	15389563; 11752352	"Bowes TJ, Gupta RS: Induction of mitochondrial fusion by cysteine-alkylators ethacrynic acid and N-ethylmaleimide. J Cell Physiol. 2005 Mar;202(3):796-804.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Chlorophenoxyacetates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Ototoxic agents; Agents that produce neuromuscular block (indirect); Phenoxyacetates; Enzyme Inhibitors; Aryloxyacetic Acid Derivatives; Hyperglycemia-Associated Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Hydroxy Acids; Increased Diuresis at Loop of Henle; Acetates; High-Ceiling Diuretics; Diuretics; Acids, Acyclic; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Glycolates"	CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1		Ethacrynic Acid Action Pathway	drug_action		4550	46507562	D00313	PA449518		DAP000748	Etacrynic_acid	CHEMBL456	4109
DB00903	Etacrynic acid	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	124205; 124600; 12680902; 12713517; 127690	"Ronquist G, Agren GK: A Mg2+- and Ca2+-stimulated adenosine triphosphatase at the outer surface of Ehrlich ascites tumor cells. Cancer Res. 1975 Jun;35(6):1402-6.@@Proverbio F, Condrescu-Guidi M, Whittembury G: Ouabain-insensitive Na+ stimulation of an Mg-2+ -dependent ATPase in kidney tissue. Biochim Biophys Acta. 1975 Jun 25;394(2):281-92.@@Valdes RM, Huff MO, El-Masri MA, El-Mallakh RS: Effect of ethacrynic acid on sodium pump alpha isoforms in SH-SY5Y cells. Bipolar Disord. 2003 Apr;5(2):123-8.@@Kiil F, Sejersted OM: Analysis of energy metabolism and mechanism of loop diuretics in the thick ascending limb of Henle's loop in dog kidneys. Acta Physiol Scand. 2003 May;178(1):73-82.@@Schurek HJ, Aulbert E, Ebel H, Muller-Suur C: Influence of ouabain and ethacrynic acid on sodium transport and NaK-ATPase activity in the isolated perfused rat kidney. Curr Probl Clin Biochem. 1975;4:162-8."	Approved; Investigational	Chlorophenoxyacetates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Ototoxic agents; Agents that produce neuromuscular block (indirect); Phenoxyacetates; Enzyme Inhibitors; Aryloxyacetic Acid Derivatives; Hyperglycemia-Associated Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Hydroxy Acids; Increased Diuresis at Loop of Henle; Acetates; High-Ceiling Diuretics; Diuretics; Acids, Acyclic; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Glycolates"	CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1		Ethacrynic Acid Action Pathway	drug_action		4550	46507562	D00313	PA449518		DAP000748	Etacrynic_acid	CHEMBL456	4109
DB00903	Etacrynic acid	BE0009011	LEF1	Q9UJU2	LEF1_HUMAN		20011538	"Lu D, Liu JX, Endo T, Zhou H, Yao S, Willert K, Schmidt-Wolf IG, Kipps TJ, Carson DA: Ethacrynic acid exhibits selective toxicity to chronic lymphocytic leukemia cells by inhibition of the Wnt/beta-catenin pathway. PLoS One. 2009 Dec 14;4(12):e8294. doi: 10.1371/journal.pone.0008294."	Approved; Investigational	Chlorophenoxyacetates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Ototoxic agents; Agents that produce neuromuscular block (indirect); Phenoxyacetates; Enzyme Inhibitors; Aryloxyacetic Acid Derivatives; Hyperglycemia-Associated Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Hypotensive Agents; Hydroxy Acids; Increased Diuresis at Loop of Henle; Acetates; High-Ceiling Diuretics; Diuretics; Acids, Acyclic; Non Potassium Sparing Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Natriuretic Agents; Glycolates"	CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1		Ethacrynic Acid Action Pathway	drug_action		4550	46507562	D00313	PA449518		DAP000748	Etacrynic_acid	CHEMBL456	4109
DB00904	Ondansetron	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	2164935	"van Wijngaarden I, Tulp MT, Soudijn W: The concept of selectivity in 5-HT receptor research. Eur J Pharmacol. 1990 Jun 12;188(6):301-12."	Approved; Withdrawn	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Cytochrome P-450 CYP1A2 Inhibitors; Serotonin 3 Receptor Antagonists; Antiemetic Serotonin 5-HT3 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Serotonin Agents; Anti-Anxiety Agents; Antiemetics and Antinauseants; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Psychotropic Drugs; Carbazoles; Antiemetics; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2					947	46504819	D00456	PA450705		DAP000221	Ondansetron	CHEMBL46	26225
DB00905	Bimatoprost	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist	11740958; 12222762; 14733708; 18452763; 689791; 19697832; 17724194	"Sharif NA, Williams GW, Kelly CR: Bimatoprost and its free acid are prostaglandin FP receptor agonists. Eur J Pharmacol. 2001 Dec 7;432(2-3):211-3.@@Sharif NA, Kelly CR, Crider JY: Agonist activity of bimatoprost, travoprost, latanoprost, unoprostone isopropyl ester and other prostaglandin analogs at the cloned human ciliary body FP prostaglandin receptor. J Ocul Pharmacol Ther. 2002 Aug;18(4):313-24.@@Sharif NA, Kelly CR, Crider JY, Williams GW, Xu SX: Ocular hypotensive FP prostaglandin (PG) analogs: PG receptor subtype binding affinities and selectivities, and agonist potencies at FP and other PG receptors in cultured cells. J Ocul Pharmacol Ther. 2003 Dec;19(6):501-15.@@Lim KS, Nau CB, O'Byrne MM, Hodge DO, Toris CB, McLaren JW, Johnson DH: Mechanism of action of bimatoprost, latanoprost, and travoprost in healthy subjects. A crossover study. Ophthalmology. 2008 May;115(5):790-795.e4. doi: 10.1016/j.ophtha.2007.07.002.@@Mintz EE: Group supervision: an experiential approach. Int J Group Psychother. 1978 Oct;28(4):467-9.@@Neacsu AM: [Receptors involved in the mechanism of action of topical prostaglandines]. Oftalmologia. 2009;53(2):3-7.@@Wan Z, Woodward DF, Cornell CL, Fliri HG, Martos JL, Pettit SN, Wang JW, Kharlamb AB, Wheeler LA, Garst ME, Landsverk KJ, Struble CS, Stamer WD: Bimatoprost, prostamide activity, and conventional drainage. Invest Ophthalmol Vis Sci. 2007 Sep;48(9):4107-15."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Prostaglandins F, Synthetic; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Amides; Eicosanoids; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Fatty Acids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Lipids; Cytochrome P-450 CYP3A4 Substrates; Prostaglandins, Synthetic; Ophthalmologicals; Prostaglandins; Autacoids; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids, Unsaturated; Sensory Organs"	CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1					12108	46505334	D02724	PA164748867		DAP001217	Bimatoprost	CHEMBL1200963	283810
DB00905	Bimatoprost	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	14733708; 19232013; 16877408	"Sharif NA, Kelly CR, Crider JY, Williams GW, Xu SX: Ocular hypotensive FP prostaglandin (PG) analogs: PG receptor subtype binding affinities and selectivities, and agonist potencies at FP and other PG receptors in cultured cells. J Ocul Pharmacol Ther. 2003 Dec;19(6):501-15.@@Gabelt BT, Hennes EA, Bendel MA, Constant CE, Okka M, Kaufman PL: Prostaglandin subtype-selective and non-selective IOP-lowering comparison in monkeys. J Ocul Pharmacol Ther. 2009 Feb;25(1):1-8. doi: 10.1089/jop.2008.0089.@@Ota T, Aihara M, Saeki T, Narumiya S, Araie M: The effects of prostaglandin analogues on prostanoid EP1, EP2, and EP3 receptor-deficient mice. Invest Ophthalmol Vis Sci. 2006 Aug;47(8):3395-9."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Prostaglandins F, Synthetic; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Amides; Eicosanoids; Cardiovascular Agents; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Fatty Acids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Biological Factors; Lipids; Cytochrome P-450 CYP3A4 Substrates; Prostaglandins, Synthetic; Ophthalmologicals; Prostaglandins; Autacoids; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids, Unsaturated; Sensory Organs"	CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1					12108	46505334	D02724	PA164748867		DAP001217	Bimatoprost	CHEMBL1200963	283810
DB00907	Cocaine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	8797532; 12672245; 10420171; 15351386; 9537821; 26598579	"Wilson JM, Levey AI, Bergeron C, Kalasinsky K, Ang L, Peretti F, Adams VI, Smialek J, Anderson WR, Shannak K, Deck J, Niznik HB, Kish SJ: Striatal dopamine, dopamine transporter, and vesicular monoamine transporter in chronic cocaine users. Ann Neurol. 1996 Sep;40(3):428-39.@@Kim DI, Schweri MM, Deutsch HM: Synthesis and pharmacology of site specific cocaine abuse treatment agents: 8-substituted isotropane (3-azabicyclo[3.2.1]octane) dopamine uptake inhibitors. J Med Chem. 2003 Apr 10;46(8):1456-64.@@Rothman RB, Baumann MH, Dersch CM, Appel J, Houghten RA: Discovery of novel peptidic dopamine transporter ligands by screening a positional scanning combinatorial hexapeptide library. Synapse. 1999 Sep 1;33(3):239-46.@@Carrera MR, Meijler MM, Janda KD: Cocaine pharmacology and current pharmacotherapies for its abuse. Bioorg Med Chem. 2004 Oct 1;12(19):5019-30.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Verma V: Classic Studies on the Interaction of Cocaine and the Dopamine Transporter. Clin Psychopharmacol Neurosci. 2015 Dec 31;13(3):227-38. doi: 10.9758/cpn.2015.13.3.227."	Approved; Illicit	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs"	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C		Cocaine Action Pathway	drug_action		20241	46506326	D00110	PA449072		DAP000834	Cocaine	CHEMBL370805	2653
DB00907	Cocaine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	7500004; 9387868; 15113605; 15351386	"Galli A, DeFelice LJ, Duke BJ, Moore KR, Blakely RD: Sodium-dependent norepinephrine-induced currents in norepinephrine-transporter-transfected HEK-293 cells blocked by cocaine and antidepressants. J Exp Biol. 1995 Oct;198(Pt 10):2197-212.@@Burchett SA, Bannon MJ: Serotonin, dopamine and norepinephrine transporter mRNAs: heterogeneity of distribution and response to 'binge' cocaine administration. Brain Res Mol Brain Res. 1997 Oct 3;49(1-2):95-102.@@Zhao Y, Sun L: Perinatal cocaine exposure reduces myocardial norepinephrine transporter function in the neonatal rat. Neurotoxicol Teratol. 2004 May-Jun;26(3):443-50.@@Carrera MR, Meijler MM, Janda KD: Cocaine pharmacology and current pharmacotherapies for its abuse. Bioorg Med Chem. 2004 Oct 1;12(19):5019-30."	Approved; Illicit	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs"	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C		Cocaine Action Pathway	drug_action		20241	46506326	D00110	PA449072		DAP000834	Cocaine	CHEMBL370805	2653
DB00907	Cocaine	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	9876137; 2155033	"Wright SN, Wang SY, Xiao YF, Wang GK: State-dependent cocaine block of sodium channel isoforms, chimeras, and channels coexpressed with the beta1 subunit. Biophys J. 1999 Jan;76(1 Pt 1):233-45.@@Crumb WJ Jr, Clarkson CW: Characterization of cocaine-induced block of cardiac sodium channels. Biophys J. 1990 Mar;57(3):589-99. doi: 10.1016/S0006-3495(90)82574-1."	Approved; Illicit	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs"	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C		Cocaine Action Pathway	drug_action		20241	46506326	D00110	PA449072		DAP000834	Cocaine	CHEMBL370805	2653
DB00907	Cocaine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	12057823; 10366604; 8302852; 15351386; 9537821	"Patkar AA, Berrettini WH, Hoehe M, Thornton CC, Gottheil E, Hill K, Weinstein SP: Serotonin transporter polymorphisms and measures of impulsivity, aggression, and sensation seeking among African-American cocaine-dependent individuals. Psychiatry Res. 2002 Jun 1;110(2):103-15.@@Barker EL, Moore KR, Rakhshan F, Blakely RD: Transmembrane domain I contributes to the permeation pathway for serotonin and ions in the serotonin transporter. J Neurosci. 1999 Jun 15;19(12):4705-17.@@Corey JL, Quick MW, Davidson N, Lester HA, Guastella J: A cocaine-sensitive Drosophila serotonin transporter: cloning, expression, and electrophysiological characterization. Proc Natl Acad Sci U S A. 1994 Feb 1;91(3):1188-92.@@Carrera MR, Meijler MM, Janda KD: Cocaine pharmacology and current pharmacotherapies for its abuse. Bioorg Med Chem. 2004 Oct 1;12(19):5019-30.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Illicit	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs"	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C		Cocaine Action Pathway	drug_action		20241	46506326	D00110	PA449072		DAP000834	Cocaine	CHEMBL370805	2653
DB00907	Cocaine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	15351386; 3047364	"Carrera MR, Meijler MM, Janda KD: Cocaine pharmacology and current pharmacotherapies for its abuse. Bioorg Med Chem. 2004 Oct 1;12(19):5019-30.@@Sharkey J, Ritz MC, Schenden JA, Hanson RC, Kuhar MJ: Cocaine inhibits muscarinic cholinergic receptors in heart and brain. J Pharmacol Exp Ther. 1988 Sep;246(3):1048-52."	Approved; Illicit	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Esters of Benzoic Acid; Azabicyclo Compounds; Central Nervous System Stimulants; Aza Compounds; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Alkaloids; Anesthetics; Vasoconstrictor Agents; Membrane Transport Modulators; Tropanes; Anticholinergic Agents; Anesthetics, Local; Agents that reduce seizure threshold; Throat Preparations; Local Anesthetics (Ester); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Cocaine, antagonists & inhibitors; Ophthalmologicals; Central Nervous System Agents; Highest Risk QTc-Prolonging Agents; Cholinesterase substrates; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Sensory Organs"	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C		Cocaine Action Pathway	drug_action		20241	46506326	D00110	PA449072		DAP000834	Cocaine	CHEMBL370805	2653
DB00908	Quinidine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17023504; 15877619; 16138883; 16972995; 17556186; 11752352; 20685573; 9476974	"Stokoe KS, Thomas G, Goddard CA, Colledge WH, Grace AA, Huang CL: Effects of flecainide and quinidine on arrhythmogenic properties of Scn5a+/Delta murine hearts modelling long QT syndrome 3. J Physiol. 2007 Jan 1;578(Pt 1):69-84. Epub 2006 Oct 5.@@Itoh H, Shimizu M, Takata S, Mabuchi H, Imoto K: A novel missense mutation in the SCN5A gene associated with Brugada syndrome bidirectionally affecting blocking actions of antiarrhythmic drugs. J Cardiovasc Electrophysiol. 2005 May;16(5):486-93.@@Grant AO: Electrophysiological basis and genetics of Brugada syndrome. J Cardiovasc Electrophysiol. 2005 Sep;16 Suppl 1:S3-7.@@Napolitano C, Priori SG: Brugada syndrome. Orphanet J Rare Dis. 2006 Sep 14;1:35.@@Ohgo T, Okamura H, Noda T, Satomi K, Suyama K, Kurita T, Aihara N, Kamakura S, Ohe T, Shimizu W: Acute and chronic management in patients with Brugada syndrome associated with electrical storm of ventricular fibrillation. Heart Rhythm. 2007 Jun;4(6):695-700. Epub 2007 Feb 20.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sheets MF, Fozzard HA, Lipkind GM, Hanck DA: Sodium channel molecular conformations and antiarrhythmic drug affinity. Trends Cardiovasc Med. 2010 Jan;20(1):16-21. doi: 10.1016/j.tcm.2010.03.002.@@Tella SR, Goldberg SR: Monoamine transporter and sodium channel mechanisms in the rapid pressor response to cocaine. Pharmacol Biochem Behav. 1998 Feb;59(2):305-12."	Approved; Investigational	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents"	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1		Quinidine Action Pathway	drug_action		6717	46505356	D08458	PA451209		DAP000515	Quinidine	CHEMBL1294	9068
DB00908	Quinidine	BE0000154	KCNK1	O00180	KCNK1_HUMAN	inhibitor	8605869; 9003761	"Lesage F, Guillemare E, Fink M, Duprat F, Lazdunski M, Romey G, Barhanin J: TWIK-1, a ubiquitous human weakly inward rectifying K+ channel with a novel structure. EMBO J. 1996 Mar 1;15(5):1004-11.@@Fink M, Duprat F, Lesage F, Reyes R, Romey G, Heurteaux C, Lazdunski M: Cloning, functional expression and brain localization of a novel unconventional outward rectifier K+ channel. EMBO J. 1996 Dec 16;15(24):6854-62."	Approved; Investigational	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents"	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1		Quinidine Action Pathway	drug_action		6717	46505356	D08458	PA451209		DAP000515	Quinidine	CHEMBL1294	9068
DB00908	Quinidine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	9570190	"Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30."	Approved; Investigational	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents"	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1		Quinidine Action Pathway	drug_action		6717	46505356	D08458	PA451209		DAP000515	Quinidine	CHEMBL1294	9068
DB00908	Quinidine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	9570190	"Shibata K, Hirasawa A, Foglar R, Ogawa S, Tsujimoto G: Effects of quinidine and verapamil on human cardiovascular alpha1-adrenoceptors. Circulation. 1998 Apr 7;97(13):1227-30."	Approved; Investigational	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Antimalarials; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Agents that reduce seizure threshold; Adrenergic Antagonists; Cinchona Alkaloids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP3A4 Substrates; Plant Extracts; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors; Polysaccharides; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; Quinolines; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Quinuclidines; Complex Mixtures; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; P-glycoprotein substrates with a Narrow Therapeutic Index; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antiarrhythmic agents; Cardiac Therapy; Antiarrhythmics, Class I; Cytochrome P-450 CYP3A7 Substrates; Adrenergic Agents; Sodium Channel Blockers; Agents that produce neuromuscular block (indirect); Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP1A2 Inhibitors (strong); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Plant Preparations; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antiparasitic Agents; Muscarinic Antagonists; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Polymers; OCT1 inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Carbohydrates; Antiarrhythmics, Class Ia; Cytochrome P-450 Substrates; Antiprotozoals; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Biopolymers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Biological Products; Anti-Infective Agents; Voltage-Gated Sodium Channel Blockers; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents"	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1		Quinidine Action Pathway	drug_action		6717	46505356	D08458	PA451209		DAP000515	Quinidine	CHEMBL1294	9068
DB00909	Zonisamide	BE0000141	SCN1A	P35498	SCN1A_HUMAN	inhibitor	18433351; 20001433; 14704463; 20025128; 19948168; 15511691; 19557119	"Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0002082	SCN3A	Q9NY46	SCN3A_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0002083	SCN4A	P35499	SCN4A_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0001143	SCN9A	Q15858	SCN9A_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000192	SCN11A	Q9UI33	SCNBA_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003636	SCN2B	O60939	SCN2B_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003638	SCN4B	Q8IWT1	SCN4B_HUMAN	inhibitor	20025128; 18433351; 20001433; 14704463; 19948168; 15511691; 19557119	"Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	18433351; 20001433; 14704463; 20025128; 19948168; 15511691; 14965331; 20502722; 19557119; 17762320	"Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Murata M: Novel therapeutic effects of the anti-convulsant, zonisamide, on Parkinson's disease. Curr Pharm Des. 2004;10(6):687-93.@@Murata M: Zonisamide: a new drug for Parkinson's disease. Drugs Today (Barc). 2010 Apr;46(4):251-8. doi: 10.1358/dot.2010.46.4.1490077.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	20001433; 18433351; 14704463; 20025128; 19948168; 15511691; 14965331; 20502722; 19557119; 17762320	"Schulze-Bonhage A: Zonisamide in the treatment of epilepsy. Expert Opin Pharmacother. 2010 Jan;11(1):115-26. doi: 10.1517/14656560903468728.@@Kothare SV, Kaleyias J: Zonisamide: review of pharmacology, clinical efficacy, tolerability, and safety. Expert Opin Drug Metab Toxicol. 2008 Apr;4(4):493-506. doi: 10.1517/17425255.4.4.493 .@@Sobieszek G, Borowicz KK, Kimber-Trojnar Z, Malek R, Piskorska B, Czuczwar SJ: Zonisamide: a new antiepileptic drug. Pol J Pharmacol. 2003 Sep-Oct;55(5):683-9.@@Janszky J: [Role of zonisamid in treating epilepsy, Parkinson disorders and other neurological diseases]. Ideggyogy Sz. 2009 Nov 30;62(11-12):383-9.@@Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Leppik IE: Zonisamide: chemistry, mechanism of action, and pharmacokinetics. Seizure. 2004 Dec;13 Suppl 1:S5-9; discussion S10.@@Murata M: Novel therapeutic effects of the anti-convulsant, zonisamide, on Parkinson's disease. Curr Pharm Des. 2004;10(6):687-93.@@Murata M: Zonisamide: a new drug for Parkinson's disease. Drugs Today (Barc). 2010 Apr;46(4):251-8. doi: 10.1358/dot.2010.46.4.1490077.@@Zaccara G, Specchio LM: Long-term safety and effectiveness of zonisamide in the treatment of epilepsy: a review of the literature. Neuropsychiatr Dis Treat. 2009;5:249-59. Epub 2009 May 20.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	15837316; 18537527; 18343915; 8494570; 18782051; 17762320; 17582922; 19703035	"De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Shank RP, Smith-Swintosky VL, Maryanoff BE: Carbonic anhydrase inhibition. Insight into the characteristics of zonisamide, topiramate, and the sulfamide cognate of topiramate. J Enzyme Inhib Med Chem. 2008 Apr;23(2):271-6. doi: 10.1080/14756360701507001 .@@Masuda Y, Karasawa T: Inhibitory effect of zonisamide on human carbonic anhydrase in vitro. Arzneimittelforschung. 1993 Apr;43(4):416-8.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7.@@De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922; 15837316; 18343915; 8494570	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7.@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Shank RP, Smith-Swintosky VL, Maryanoff BE: Carbonic anhydrase inhibition. Insight into the characteristics of zonisamide, topiramate, and the sulfamide cognate of topiramate. J Enzyme Inhib Med Chem. 2008 Apr;23(2):271-6. doi: 10.1080/14756360701507001 .@@Masuda Y, Karasawa T: Inhibitory effect of zonisamide on human carbonic anhydrase in vitro. Arzneimittelforschung. 1993 Apr;43(4):416-8."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922; 15837316; 18343915; 8494570	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7.@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Shank RP, Smith-Swintosky VL, Maryanoff BE: Carbonic anhydrase inhibition. Insight into the characteristics of zonisamide, topiramate, and the sulfamide cognate of topiramate. J Enzyme Inhib Med Chem. 2008 Apr;23(2):271-6. doi: 10.1080/14756360701507001 .@@Masuda Y, Karasawa T: Inhibitory effect of zonisamide on human carbonic anhydrase in vitro. Arzneimittelforschung. 1993 Apr;43(4):416-8."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003626	CA5A	P35218	CAH5A_HUMAN	inhibitor	19703035; 18537527; 15837316; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003627	CA5B	Q9Y2D0	CAH5B_HUMAN	inhibitor	19703035; 18537527; 15837316; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT: Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003628	CA6	P23280	CAH6_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003630	CA8	P35219	CAH8_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003631	CA10	Q9NS85	CAH10_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0003633	CA13	Q8N1Q1	CAH13_HUMAN	inhibitor	19703035; 18537527; 18782051; 17762320; 17582922	"De Simone G, Scozzafava A, Supuran CT: Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? Chem Biol Drug Des. 2009 Sep;74(3):317-21. doi: 10.1111/j.1747-0285.2009.00857.x.@@Supuran CT, Di Fiore A, De Simone G: Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity. Expert Opin Emerg Drugs. 2008 Jun;13(2):383-92. doi: 10.1517/14728214.13.2.383 .@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75.@@Biton V: Clinical pharmacology and mechanism of action of zonisamide. Clin Neuropharmacol. 2007 Jul-Aug;30(4):230-40.@@Authors unspecified: Zonisamide: new drug. No advantage in refractory partial epilepsy. Prescrire Int. 2007 Jun;16(89):95-7."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	19948168; 14965331; 11755227; 8991786; 20502722; 7856330; 18782051	"Sonsalla PK, Wong LY, Winnik B, Buckley B: The antiepileptic drug zonisamide inhibits MAO-B and attenuates MPTP toxicity in mice: clinical relevance. Exp Neurol. 2010 Feb;221(2):329-34. doi: 10.1016/j.expneurol.2009.11.018. Epub 2009 Dec 4.@@Murata M: Novel therapeutic effects of the anti-convulsant, zonisamide, on Parkinson's disease. Curr Pharm Des. 2004;10(6):687-93.@@Murata M, Horiuchi E, Kanazawa I: Zonisamide has beneficial effects on Parkinson's disease patients. Neurosci Res. 2001 Dec;41(4):397-9.@@Okada M, Kaneko S, Hirano T, Mizuno K, Kondo T, Otani K, Fukushima Y: Effects of zonisamide on dopaminergic system. Epilepsy Res. 1995 Nov;22(3):193-205.@@Murata M: Zonisamide: a new drug for Parkinson's disease. Drugs Today (Barc). 2010 Apr;46(4):251-8. doi: 10.1358/dot.2010.46.4.1490077.@@Okada M: [Effects of carbamazepine and zonisamide on dopaminergic system in rat striatum and hippocampus]. Nihon Shinkei Seishin Yakurigaku Zasshi. 1994 Oct;14(5):337-54.@@Farooq MU, Moore PW, Bhatt A, Aburashed R, Kassab MY: Therapeutic role of zonisamide in neuropsychiatric disorders. Mini Rev Med Chem. 2008 Sep;8(10):968-75."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00909	Zonisamide	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	binder	19412474	"Wilfong AA, Willmore LJ: Zonisamide - a review of experience and use in partial seizures. Neuropsychiatr Dis Treat. 2006 Sep;2(3):269-80. doi: 10.2147/nedt.2006.2.3.269."	Approved; Investigational	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles	"QTc Prolonging Agents; Isoxazoles; Cytochrome P-450 CYP3A Substrates; Amides; Cardiovascular Agents; Sulfones; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Drugs that are Mainly Renally Excreted; Sulfonamides; Cytochrome P-450 CYP2C19 Inhibitors (weak); Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Diuretics; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Sulfur Compounds; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	NS(=O)(=O)CC1=NOC2=CC=CC=C12						46505278	D00538	PA451978		DAP000500	Zonisamide	CHEMBL750	39998
DB00910	Paricalcitol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	17139284; 17016423; 16076355; 19494617; 20204178; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Andress DL: Vitamin D treatment in chronic kidney disease. Semin Dial. 2005 Jul-Aug;18(4):315-21.@@Brancaccio D, Cozzolino M, Pasho S, Fallabrino G, Olivi L, Gallieni M: New acquisitions in therapy of secondary hyperparathyroidism in chronic kidney disease and peritoneal dialysis patients: role of vitamin D receptor activators. Contrib Nephrol. 2009;163:219-26. doi: 10.1159/000223802. Epub 2009 Jun 3.@@Wu-Wong JR, Nakane M, Gagne GD, Brooks KA, Noonan WT: Comparison of the pharmacological effects of paricalcitol and doxercalciferol on the factors involved in mineral homeostasis. Int J Endocrinol. 2010;2010:621687. doi: 10.1155/2010/621687. Epub 2010 Mar 2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Vitamins; Cytochrome P-450 CYP3A Substrates; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Steroids; Fused-Ring Compounds; Anti-Parathyroid Agents; Vitamin D and Analogues; Lipids; Calcium Homeostasis; Cytochrome P-450 CYP3A4 Substrates; Secosteroids; Cholestanes; Sterols; UGT1A4 substrates; Bone Density Conservation Agents; Membrane Lipids"	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O					13272	46505780	D00930	PA450798		DAP000211	Paricalcitol	CHEMBL1200622	73710
DB00912	Repaglinide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	10773014; 11716850; 12196472; 15219283; 15380228; 11728565	"Hu S, Wang S, Fanelli B, Bell PA, Dunning BE, Geisse S, Schmitz R, Boettcher BR: Pancreatic beta-cell K(ATP) channel activity and membrane-binding studies with nateglinide: A comparison with sulfonylureas and repaglinide. J Pharmacol Exp Ther. 2000 May;293(2):444-52.@@Sunaga Y, Gonoi T, Shibasaki T, Ichikawa K, Kusama H, Yano H, Seino S: The effects of mitiglinide (KAD-1229), a new anti-diabetic drug, on ATP-sensitive K+ channels and insulin secretion: comparison with the sulfonylureas and nateglinide. Eur J Pharmacol. 2001 Nov 9;431(1):119-25.@@Hansen AM, Christensen IT, Hansen JB, Carr RD, Ashcroft FM, Wahl P: Differential interactions of nateglinide and repaglinide on the human beta-cell sulphonylurea receptor 1. Diabetes. 2002 Sep;51(9):2789-95.@@Wangler B, Schneider S, Thews O, Schirrmacher E, Comagic S, Feilen P, Schwanstecher C, Schwanstecher M, Shiue CY, Alavi A, Hohnemann S, Piel M, Rosch F, Schirrmacher R: Synthesis and evaluation of (S)-2-(2-[18F]fluoroethoxy)-4-([3-methyl-1-(2-piperidin-1-yl-phenyl)-butyl-carbam oyl]-methyl)-benzoic acid ([18F]repaglinide): a promising radioligand for quantification of pancreatic beta-cell mass with positron emission tomography (PET). Nucl Med Biol. 2004 Jul;31(5):639-47.@@Wangler B, Beck C, Shiue CY, Schneider S, Schwanstecher C, Schwanstecher M, Feilen PJ, Alavi A, Rosch F, Schirrmacher R: Synthesis and in vitro evaluation of (S)-2-([11C]methoxy)-4-[3-methyl-1-(2-piperidine-1-yl-phenyl)-butyl-carbamoyl]-be nzoic acid ([11C]methoxy-repaglinide): a potential beta-cell imaging agent. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5205-9.@@Dornhorst A: Insulinotropic meglitinide analogues. Lancet. 2001 Nov 17;358(9294):1709-16."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Drugs Used in Diabetes; Stereoisomerism; Insulin Secretagogues; Meglitinides; Oral Hypoglycemics; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Glinide; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Potassium Channel Blockers; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O		Repaglinide Action Pathway	drug_action		11860	46508150	D00594	PA451234		DAP000133	Repaglinide	CHEMBL1272	73044
DB00912	Repaglinide	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	17082235	"Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Drugs Used in Diabetes; Stereoisomerism; Insulin Secretagogues; Meglitinides; Oral Hypoglycemics; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Glinide; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Potassium Channel Blockers; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O		Repaglinide Action Pathway	drug_action		11860	46508150	D00594	PA451234		DAP000133	Repaglinide	CHEMBL1272	73044
DB00912	Repaglinide	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11190775	"Horak F, Unkauf M, Beckers C, Mittermaier EM: Efficacy and tolerability of intranasally applied dimetindene maleate solution versus placebo in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2000 Dec;50(12):1099-105. doi: 10.1055/s-0031-1300341."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Drugs Used in Diabetes; Stereoisomerism; Insulin Secretagogues; Meglitinides; Oral Hypoglycemics; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Glinide; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Potassium Channel Blockers; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O		Repaglinide Action Pathway	drug_action		11860	46508150	D00594	PA451234		DAP000133	Repaglinide	CHEMBL1272	73044
DB00915	Amantadine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	15800186; 10443547	"Blanpied TA, Clarke RJ, Johnson JW: Amantadine inhibits NMDA receptors by accelerating channel closure during channel block. J Neurosci. 2005 Mar 30;25(13):3312-22.@@Hesselink MB, De Boer AG, Breimer DD, Danysz W: Adaptations of NMDA and dopamine D2, but not of muscarinic receptors following 14 days administration of uncompetitive NMDA receptor antagonists. J Neural Transm (Vienna). 1999;106(5-6):409-21."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	NC12CC3CC(CC(C3)C1)C2					9905	46507081		PA448360		DAP000781	Amantadine	CHEMBL660	620
DB00915	Amantadine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	8566141; 9806328; 10443547; 9098680	"Tomitaka S, Hashimoto K, Narita N, Minabe Y, Tamura A: Amantadine induces c-fos in rat striatum: reversal with dopamine D1 and NMDA receptor antagonists. Eur J Pharmacol. 1995 Oct 16;285(2):207-11.@@Ameri A: Effects of the Aconitum alkaloid songorine on synaptic transmission and paired-pulse facilitation of CA1 pyramidal cells in rat hippocampal slices. Br J Pharmacol. 1998 Oct;125(3):461-8.@@Hesselink MB, De Boer AG, Breimer DD, Danysz W: Adaptations of NMDA and dopamine D2, but not of muscarinic receptors following 14 days administration of uncompetitive NMDA receptor antagonists. J Neural Transm (Vienna). 1999;106(5-6):409-21.@@Cousins MS, Carriero DL, Salamone JD: Tremulous jaw movements induced by the acetylcholinesterase inhibitor tacrine: effects of antiparkinsonian drugs. Eur J Pharmacol. 1997 Mar 19;322(2-3):137-45."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	NC12CC3CC(CC(C3)C1)C2					9905	46507081		PA448360		DAP000781	Amantadine	CHEMBL660	620
DB00915	Amantadine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	9152392	"Matsubayashi H, Swanson KL, Albuquerque EX: Amantadine inhibits nicotinic acetylcholine receptor function in hippocampal neurons. J Pharmacol Exp Ther. 1997 May;281(2):834-44."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	NC12CC3CC(CC(C3)C1)C2					9905	46507081		PA448360		DAP000781	Amantadine	CHEMBL660	620
DB00915	Amantadine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	9152392	"Matsubayashi H, Swanson KL, Albuquerque EX: Amantadine inhibits nicotinic acetylcholine receptor function in hippocampal neurons. J Pharmacol Exp Ther. 1997 May;281(2):834-44."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Sensory System Agents; Antiviral Agents; Nicotinic Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Adamantanes; OCT2 Substrates; OCT1 substrates; Adamantane Derivatives; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Anti-Parkinson Drugs; Influenza A M2 Protein Inhibitor; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Anti-Infective Agents; Central Nervous System Agents; M2 Protein Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents"	NC12CC3CC(CC(C3)C1)C2					9905	46507081		PA448360		DAP000781	Amantadine	CHEMBL660	620
DB00917	Dinoprostone	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	18715952; 20599704; 19788928; 17329241	"Baryawno N, Sveinbjornsson B, Eksborg S, Orrego A, Segerstrom L, Oqvist CO, Holm S, Gustavsson B, Kagedal B, Kogner P, Johnsen JI: Tumor-growth-promoting cyclooxygenase-2 prostaglandin E2 pathway provides medulloblastoma therapeutic targets. Neuro Oncol. 2008 Oct;10(5):661-74. doi: 10.1215/15228517-2008-035. Epub 2008 Aug 20.@@Tamiji J, Crawford DA: Prostaglandin E(2) and misoprostol induce neurite retraction in Neuro-2a cells. Biochem Biophys Res Commun. 2010 Jul 30;398(3):450-6. doi: 10.1016/j.bbrc.2010.06.098. Epub 2010 Jun 27.@@Legler DF, Bruckner M, Uetz-von Allmen E, Krause P: Prostaglandin E2 at new glance: novel insights in functional diversity offer therapeutic chances. Int J Biochem Cell Biol. 2010 Feb;42(2):198-201. doi: 10.1016/j.biocel.2009.09.015. Epub 2009 Sep 27.@@Sugimoto Y, Narumiya S: Prostaglandin E receptors. J Biol Chem. 2007 Apr 20;282(16):11613-7. Epub 2007 Feb 28."	Approved	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Uterotonic agents; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Eicosanoids; Prostaglandins E; Dinoprostone, antagonists & inhibitors; Fatty Acids; Genito Urinary System and Sex Hormones; Biological Factors; Lipids; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Prostaglandins, Synthetic; OAT3/SLC22A8 Inhibitors; Prostaglandins; OCT1 inhibitors; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents"	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Oxaprozin Action Pathway; Rofecoxib Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Naproxen Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Piroxicam Action Pathway; Phenylbutazone Action Pathway; Nabumetone Action Pathway; Salicylate-Sodium Action Pathway; Acetaminophen  Action Pathway; Etoricoxib Action Pathway; Meloxicam Action Pathway; Celecoxib Action Pathway; Lumiracoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Carprofen Action Pathway; Ibuprofen Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Salsalate Action Pathway; Etodolac Action Pathway	metabolic; drug_action		2161	46505549	D00079	PA449345		DAP000360	Prostaglandin_E2	CHEMBL548	3478
DB00918	Almotriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	10193663; 11134654; 11642004; 11752352	"Napier C, Stewart M, Melrose H, Hopkins B, McHarg A, Wallis R: Characterisation of the 5-HT receptor binding profile of eletriptan and kinetics of [3H]eletriptan binding at human 5-HT1B and 5-HT1D receptors. Eur J Pharmacol. 1999 Mar 5;368(2-3):259-68.@@Bou J, Domenech T, Puig J, Heredia A, Gras J, Fernandez-Forner D, Beleta J, Palacios JM: Pharmacological characterization of almotriptan: an indolic 5-HT receptor agonist for the treatment of migraine. Eur J Pharmacol. 2000 Dec 20;410(1):33-41.@@Gras J, Llupia J, Llenas J, Palacios JM: Safety profile of almotriptan, a new antimigraine agent. Effects on central nervous system, renal function and respiratory dynamics. Arzneimittelforschung. 2001 Sep;51(9):726-32.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2E1 Substrates; Serotonin-1b and Serotonin-1d Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Migraine Disorders; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2					13247	46505165		PA10246		DAP001345	Almotriptan	CHEMBL1505	279645
DB00920	Ketotifen	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7893266; 1434122; 16404130; 8836617; 8101246; 18490184	"Mita H, Shida T: Comparison of anti-allergic activities of the histamine H1 receptor antagonists epinastine, ketotifen and oxatomide in human leukocytes. Arzneimittelforschung. 1995 Jan;45(1):36-40.@@Okabe S, Nakaji S, Tachibana M: Effect of ketotifen on acute gastric lesions and gastric secretion in rats. Jpn J Pharmacol. 1992 Jun;59(2):251-4.@@Hashimoto T, Ohata H, Honda K: Lysophosphatidic acid (LPA) induces plasma exudation and histamine release in mice via LPA receptors. J Pharmacol Sci. 2006 Jan;100(1):82-7. Epub 2006 Jan 11.@@Ito K, Sakamoto T, Hayashi Y, Morishita M, Shibata E, Sakai K, Takeuchi Y, Torii S: Role of tachykinin and bradykinin receptors and mast cells in gaseous formaldehyde-induced airway microvascular leakage in rats. Eur J Pharmacol. 1996 Jul 4;307(3):291-8.@@Yokoyama H, Iinuma K, Yanai K, Watanabe T, Sakurai E, Onodera K: Proconvulsant effect of ketotifen, a histamine H1 antagonist, confirmed by the use of d-chlorpheniramine with monitoring electroencephalography. Methods Find Exp Clin Pharmacol. 1993 Apr;15(3):183-8.@@Werner-Klein M, Goggel R, Westhof A, Erb KJ: Development and characterisation of a novel and rapid lung eosinophil influx model in the rat. Pulm Pharmacol Ther. 2008 Aug;21(4):648-56. doi: 10.1016/j.pupt.2008.03.002. Epub 2008 Apr 7."	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	Anti-Allergic Agents; Anti-Asthmatic Agents; Histamine H1 Antagonists; Histamine H1 Inhibitors; Other Antihistamines; Histamine Antagonists; UGT1A3 substrates; Antipruritics; Piperidines; Ophthalmologicals; Decongestants and Antiallergics; UGT1A4 substrates; Antihistamine Drugs; Thiophenes; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Sensory Organs	CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12		Ketotifen H1-Antihistamine Action	drug_action		1944	46508921	D01332	PA450152		DAP000329	Ketotifen	CHEMBL534	6146
DB00921	Buprenorphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	17244875; 16953647	"Boothby LA, Doering PL: Buprenorphine for the treatment of opioid dependence. Am J Health Syst Pharm. 2007 Feb 1;64(3):266-72.@@Robinson SE: Buprenorphine-containing treatments: place in the management of opioid addiction. CNS Drugs. 2006;20(9):697-712."	Approved; Illicit; Investigational; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs Used in Opioid Dependence; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Oripavine Derivatives; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4		Buprenorphine Action Pathway	drug_action		276	46505782	D07132	PA448685		DAP001353	Buprenorphine	CHEMBL560511	1819
DB00921	Buprenorphine	BE0002378	OPRL1	P41146	OPRX_HUMAN		10998549; 14614092	"Bloms-Funke P, Gillen C, Schuettler AJ, Wnendt S: Agonistic effects of the opioid buprenorphine on the nociceptin/OFQ receptor. Peptides. 2000 Jul;21(7):1141-6.@@Lutfy K, Eitan S, Bryant CD, Yang YC, Saliminejad N, Walwyn W, Kieffer BL, Takeshima H, Carroll FI, Maidment NT, Evans CJ: Buprenorphine-induced antinociception is mediated by mu-opioid receptors and compromised by concomitant activation of opioid receptor-like receptors. J Neurosci. 2003 Nov 12;23(32):10331-7."	Approved; Illicit; Investigational; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Narcotics; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Opiate Partial Agonists; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs Used in Opioid Dependence; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Oripavine Derivatives; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Mixed Agonist / Antagonist Opioids; Nervous System; Opiate Alkaloids; Cytochrome P-450 CYP3A7 Substrates; Opioids"	CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4		Buprenorphine Action Pathway	drug_action		276	46505782	D07132	PA448685		DAP001353	Buprenorphine	CHEMBL560511	1819
DB00922	Levosimendan	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	16116344	"Szilagyi S, Pollesello P, Levijoki J, Haikala H, Bak I, Tosaki A, Borbely A, Edes I, Papp Z: Two inotropes with different mechanisms of action: contractile, PDE-inhibitory and direct myofibrillar effects of levosimendan and enoximone. J Cardiovasc Pharmacol. 2005 Sep;46(3):369-76."	Approved; Investigational	Phenylhydrazines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines	"Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Pyridazines; Cardiac Stimulants Excl. Cardiac Glycosides; Phosphodiesterase 3 Inhibitors; Cardiac Therapy; Enzyme Inhibitors; QTc Prolonging Agents; Vasodilating Agents; Hydrazones; Protective Agents; Compounds used in a research, industrial, or household setting; Moderate Risk QTc-Prolonging Agents; Hydrazines; Phosphodiesterase Inhibitors; Cardiotonic Agents"	C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1						46507149	D04720	PA164749138		DAP000797	Levosimendan	CHEMBL2051955	73107
DB00924	Cyclobenzaprine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	21975349	"Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation"	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12					2143	46508313	D07758	PA449160		DAP000891	Cyclobenzaprine	CHEMBL669	21949
DB00924	Cyclobenzaprine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	21975349	"Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation"	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12					2143	46508313	D07758	PA449160		DAP000891	Cyclobenzaprine	CHEMBL669	21949
DB00924	Cyclobenzaprine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	21975349	"Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation"	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12					2143	46508313	D07758	PA449160		DAP000891	Cyclobenzaprine	CHEMBL669	21949
DB00924	Cyclobenzaprine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	21975349	"Mestres J, Seifert SA, Oprea TI: Linking pharmacology to clinical reports: cyclobenzaprine and its possible association with serotonin syndrome. Clin Pharmacol Ther. 2011 Nov;90(5):662-5. doi: 10.1038/clpt.2011.177. Epub 2011 Oct 5."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation"	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12					2143	46508313	D07758	PA449160		DAP000891	Cyclobenzaprine	CHEMBL669	21949
DB00924	Cyclobenzaprine	BE0003539	AOX1	Q06278	AOXA_HUMAN	inhibitor	14681337	"Obach RS, Huynh P, Allen MC, Beedham C: Human liver aldehyde oxidase: inhibition by 239 drugs. J Clin Pharmacol. 2004 Jan;44(1):7-19."	Approved	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Photosensitizing Agents; Benzocycloheptenes; Cytochrome P-450 CYP2D6 Substrates; Musculo-Skeletal System; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Dibenzocycloheptenes; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP1A2 Substrates; Centrally-mediated Muscle Relaxation"	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12					2143	46508313	D07758	PA449160		DAP000891	Cyclobenzaprine	CHEMBL669	21949
DB00925	Phenoxybenzamine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	10401556; 7911719; 12818701; 8935707; 1978244	"Stam WB, Van der Graaf PH, Saxena PR: Analysis of alpha 1L-adrenoceptor pharmacology in rat small mesenteric artery. Br J Pharmacol. 1999 Jun;127(3):661-70.@@Michel MC, Hanft G, Gross G: Functional studies on alpha 1-adrenoceptor subtypes mediating inotropic effects in rat right ventricle. Br J Pharmacol. 1994 Feb;111(2):539-46.@@Yu Y, Koss MC: Functional characterization of alpha-adrenoceptors mediating pupillary dilation in rats. Eur J Pharmacol. 2003 Jun 20;471(2):135-40.@@Salles J, Gascon S, Badia A: Sustained increase in rat myocardial alpha 1A-adrenoceptors induced by 6-hydroxydopamine treatment involves a decelerated receptor turnover. Naunyn Schmiedebergs Arch Pharmacol. 1996 Mar;353(4):408-16.@@Suzuki E, Tsujimoto G, Tamura K, Hashimoto K: Two pharmacologically distinct alpha 1-adrenoceptor subtypes in the contraction of rabbit aorta: each subtype couples with a different Ca2+ signalling mechanism and plays a different physiological role. Mol Pharmacol. 1990 Nov;38(5):725-36."	Approved	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; OCT2 Inhibitors; Amines; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; OCT1 inhibitors; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Ethylamines; Adrenergic Agents	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1						46507191		PA450919		DAP000478	Phenoxybenzamine	CHEMBL753	8149
DB00925	Phenoxybenzamine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	7969082	"Minneman KP, Theroux TL, Hollinger S, Han C, Esbenshade TA: Selectivity of agonists for cloned alpha 1-adrenergic receptor subtypes. Mol Pharmacol. 1994 Nov;46(5):929-36."	Approved	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Hypotensive Agents; Peripheral Vasodilators; Cardiovascular Agents; OCT2 Inhibitors; Amines; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; OCT1 inhibitors; Vasodilating Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Ethylamines; Adrenergic Agents	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1						46507191		PA450919		DAP000478	Phenoxybenzamine	CHEMBL753	8149
DB00926	Etretinate	BE0000663	RARA	P10276	RARA_HUMAN	agonist	1965892; 10459139; 8301142; 9074840; 9298126	"Harnish DC, Barua AB, Soprano KJ, Soprano DR: Induction of beta-retinoic acid receptor mRNA by teratogenic doses of retinoids in murine fetuses. Differentiation. 1990 Nov;45(2):103-8.@@Saurat JH: Retinoids and psoriasis: novel issues in retinoid pharmacology and implications for psoriasis treatment. J Am Acad Dermatol. 1999 Sep;41(3 Pt 2):S2-6.@@Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5."	Withdrawn	Retinoid esters	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes"	CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C						46504486	D00316	PA449554			Etretinate	CHEMBL464	4182
DB00926	Etretinate	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	8301142; 9074840; 9298126	"Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Orfanos CE, Zouboulis CC, Almond-Roesler B, Geilen CC: Current use and future potential role of retinoids in dermatology. Drugs. 1997 Mar;53(3):358-88.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5."	Withdrawn	Retinoid esters	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes"	CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C						46504486	D00316	PA449554			Etretinate	CHEMBL464	4182
DB00926	Etretinate	BE0000206	RARB	P10826	RARB_HUMAN	agonist	8301142; 9298126	"Zitnik RJ, Kotloff RM, Latifpour J, Zheng T, Whiting NL, Schwalb J, Elias JA: Retinoic acid inhibition of IL-1-induced IL-6 production by human lung fibroblasts. J Immunol. 1994 Feb 1;152(3):1419-27.@@Billoni N, Gautier B, Mahe YF, Bernard BA: Expression of retinoid nuclear receptor superfamily members in human hair follicles and its implication in hair growth. Acta Derm Venereol. 1997 Sep;77(5):350-5."	Withdrawn	Retinoid esters	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes"	CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C						46504486	D00316	PA449554			Etretinate	CHEMBL464	4182
DB00926	Etretinate	BE0000144	RARG	P13631	RARG_HUMAN	agonist	17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Withdrawn	Retinoid esters	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Hydrocarbons, Acyclic; Retinoids for Treatment of Psoriasis; Biological Factors; Alkenes; Polyenes; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Keratolytic Agents; Dermatologicals; Antipsoriatics; Antipsoriatics for Systemic Use; Carotenoids; Retinoids; Pigments, Biological; Terpenes"	CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C						46504486	D00316	PA449554			Etretinate	CHEMBL464	4182
DB00927	Famotidine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	11752352; 19578661; 2887616	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Inan A, Sen M, Surgit O, Ergin M, Bozer M: Effects of the histamine H2 receptor antagonist famotidine on the healing of colonic anastomosis in rats. Clinics (Sao Paulo). 2009;64(6):567-70.@@Chremos AN: Clinical pharmacology of famotidine: a summary. J Clin Gastroenterol. 1987;9 Suppl 2:7-12. doi: 10.1097/00004836-198707002-00003."	Approved	"2,4-disubstituted thiazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; OAT3/SLC22A8 Substrates; QTc Prolonging Agents; Drugs for Acid Related Disorders; MATE 1 Inhibitors; Gastrointestinal Agents; Anti-Ulcer Agents; Histamine H2 Antagonists; Thiazoles; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP1A2 Inhibitors; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Gastric Acid Lowering Agents; MATE inhibitors; Acid Reducers; OAT3/SLC22A8 Inhibitors; Neurotransmitter Agents; Sulfur Compounds; Histamine Agents	NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1		Famotidine Action Pathway	drug_action		1395	46507397	D00318	PA449586		DAP000341	Famotidine	CHEMBL902	4278
DB00928	Azacitidine	BE0000892	DNMT1	P26358	DNMT1_HUMAN	inhibitor	11752352; 15793220; 19589026; 14585280; 17612710; 12011120; 16341239; 11700387; 18627335; 20126405; 2443243	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kaminskas E, Farrell AT, Wang YC, Sridhara R, Pazdur R: FDA drug approval summary: azacitidine (5-azacytidine, Vidaza) for injectable suspension. Oncologist. 2005 Mar;10(3):176-82.@@Cataldo VD, Cortes J, Quintas-Cardama A: Azacitidine for the treatment of myelodysplastic syndrome. Expert Rev Anticancer Ther. 2009 Jul;9(7):875-84. doi: 10.1586/era.09.61.@@Leone G, Voso MT, Teofili L, Lubbert M: Inhibitors of DNA methylation in the treatment of hematological malignancies and MDS. Clin Immunol. 2003 Oct;109(1):89-102.@@Ghoshal K, Bai S: DNA methyltransferases as targets for cancer therapy. Drugs Today (Barc). 2007 Jun;43(6):395-422.@@Silverman LR, Demakos EP, Peterson BL, Kornblith AB, Holland JC, Odchimar-Reissig R, Stone RM, Nelson D, Powell BL, DeCastro CM, Ellerton J, Larson RA, Schiffer CA, Holland JF: Randomized controlled trial of azacitidine in patients with the myelodysplastic syndrome: a study of the cancer and leukemia group B. J Clin Oncol. 2002 May 15;20(10):2429-40.@@Fenaux P: Inhibitors of DNA methylation: beyond myelodysplastic syndromes. Nat Clin Pract Oncol. 2005 Dec;2 Suppl 1:S36-44.@@Silverman LR: Targeting hypomethylation of DNA to achieve cellular differentiation in myelodysplastic syndromes (MDS). Oncologist. 2001;6 Suppl 5:8-14.@@O'Dwyer K, Maslak P: Azacitidine and the beginnings of therapeutic epigenetic modulation. Expert Opin Pharmacother. 2008 Aug;9(11):1981-6. doi: 10.1517/14656566.9.11.1981  .@@Hollenbach PW, Nguyen AN, Brady H, Williams M, Ning Y, Richard N, Krushel L, Aukerman SL, Heise C, MacBeth KJ: A comparison of azacitidine and decitabine activities in acute myeloid leukemia cell lines. PLoS One. 2010 Feb 2;5(2):e9001. doi: 10.1371/journal.pone.0009001.@@Glover AB, Leyland-Jones B: Biochemistry of azacitidine: a review. Cancer Treat Rep. 1987 Oct;71(10):959-64."	Approved; Investigational	Glycosylamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Myelosuppressive Agents; Ribonucleosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Noxae; Aza Compounds; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O					20554	46509032	D03021	PA451996		DAP000640	Azacitidine	CHEMBL1489	1251
DB00929	Misoprostol	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	16039053; 18472336; 12097143; 9313928; 11602631	"Nakae K, Hayashi F, Hayashi M, Yamamoto N, Iino T, Yoshikawa S, Gupta J: Functional role of prostacyclin receptor in rat dorsal root ganglion neurons. Neurosci Lett. 2005 Nov 18;388(3):132-7.@@Li J, Liang X, Wang Q, Breyer RM, McCullough L, Andreasson K: Misoprostol, an anti-ulcer agent and PGE2 receptor agonist, protects against cerebral ischemia. Neurosci Lett. 2008 Jun 20;438(2):210-5. doi: 10.1016/j.neulet.2008.04.054. Epub  2008 Apr 20.@@Guan Y, Stillman BA, Zhang Y, Schneider A, Saito O, Davis LS, Redha R, Breyer RM, Breyer MD: Cloning and expression of the rabbit prostaglandin EP2 receptor. BMC Pharmacol. 2002 Jun 27;2:14.@@Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S: Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells. Br J Pharmacol. 1997 Sep;122(2):217-24.@@Nataraj C, Thomas DW, Tilley SL, Nguyen MT, Mannon R, Koller BH, Coffman TM: Receptors for prostaglandin E(2) that regulate cellular immune responses in the mouse. J Clin Invest. 2001 Oct;108(8):1229-35."	Approved	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Inflammation Mediators; Uterotonic agents; Drugs for Acid Related Disorders; Eicosanoids; Prostaglandins E, Synthetic; Gastrointestinal Agents; Anti-Ulcer Agents; Prostaglandin E1 Analog; Photosensitizing Agents; Abortifacient Agents; Fatty Acids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Musculo-Skeletal System; Biological Factors; Lipids; Drugs causing inadvertant photosensitivity; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Prostaglandins, Synthetic; Abortifacient Agents, Nonsteroidal; Propionates; Prostaglandins; Autacoids; Fatty Acids, Unsaturated; Reproductive Control Agents"	CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC					1859	46505041	D00419	PA450523		DAP000358	Misoprostol	CHEMBL606	42331
DB00933	Mesoridazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 16135699; 15357957	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Burstein ES, Ma J, Wong S, Gao Y, Pham E, Knapp AE, Nash NR, Olsson R, Davis RE, Hacksell U, Weiner DM, Brann MR: Intrinsic efficacy of antipsychotics at human D2, D3, and D4 dopamine receptors: identification of the clozapine metabolite N-desmethylclozapine as a D2/D3 partial agonist. J Pharmacol Exp Ther. 2005 Dec;315(3):1278-87. Epub 2005 Aug 31.@@Choi S, Haggart D, Toll L, Cuny GD: Synthesis, receptor binding and functional studies of mesoridazine stereoisomers. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4379-82."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Phenothiazines With Piperidine Structure; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2					11278	46506724	D02671	PA450386		DAP000252	Mesoridazine	CHEMBL1088	6779
DB00934	Maprotiline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17068778; 12573515; 20141432; 17984940; 15378668	"Saba W, Valette H, Schollhorn-Peyronneau MA, Coulon C, Ottaviani M, Chalon S, Dolle F, Emond P, Halldin C, Helfenbein J, Madelmont JC, Deloye JB, Guilloteau D, Bottlaender M: [11C]LBT-999: a suitable radioligand for investigation of extra-striatal dopamine transporter with PET. Synapse. 2007 Jan;61(1):17-23.@@Arai S, Morita K, Kitayama S, Kumagai K, Kumagai M, Kihira K, Dohi T: Chronic inhibition of the norepinephrine transporter in the brain participates in seizure sensitization to cocaine and local anesthetics. Brain Res. 2003 Feb 21;964(1):83-90.@@Cloonan SM, Drozgowska A, Fayne D, Williams DC: The antidepressants maprotiline and fluoxetine have potent selective antiproliferative effects against Burkitt lymphoma independently of the norepinephrine and serotonin transporters. Leuk Lymphoma. 2010 Mar;51(3):523-39. doi: 10.3109/10428190903552112.@@Dronjak S, Spasojevic N, Gavrilovic L, Varagic V: Effects of noradrenaline and serotonin reuptake inhibitors on pituitary-adrenocortical and sympatho-adrenomedullar system of adult rats. Neuro Endocrinol Lett. 2007 Oct;28(5):614-20.@@Mochizucki D: Serotonin and noradrenaline reuptake inhibitors in animal models of pain. Hum Psychopharmacol. 2004 Oct;19 Suppl 1:S15-9."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	1353628; 6115693; 6146381	"Noguchi S, Inukai T, Kuno T, Tanaka C: The suppression of olfactory bulbectomy-induced muricide by antidepressants and antihistamines via histamine H1 receptor blocking. Physiol Behav. 1992 Jun;51(6):1123-7.@@Cavero I, Lefevre-Borg F, Roach AG: Effects of mianserin, desipramine and maprotiline on blood pressure responses evoked by acetylcholine, histamine and 5-hydroxytryptamine in rats. Br J Pharmacol. 1981 Sep;74(1):143-8.@@Kanba S, Richelson E: Histamine H1 receptors in human brain labelled with [3H]doxepin. Brain Res. 1984 Jun 18;304(1):1-7."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	6297650; 7052344; 6118411	"El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	6297650; 7052344; 6118411	"El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	6297650; 7052344; 6118411	"El-Fakahany E, Richelson E: Antagonism by antidepressants of muscarinic acetylcholine receptors of human brain. Br J Pharmacol. 1983 Jan;78(1):97-102.@@Golds PR, Przyslo FR, Strange PG: The binding of some antidepressant drugs to brain muscarinic acetylcholine receptors. Br J Pharmacol. 1980 Mar;68(3):541-9.@@Doggrell SA, Vincent L: The postsynaptic effects of antidepressant drugs in the rat anococcygeus muscle. J Pharm Pharmacol. 1981 Nov;33(11):720-4."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000533	HTR2C	P28335	5HT2C_HUMAN	binder	7221567	"Peroutka SJ, Lebovitz RM, Snyder SH: Two distinct central serotonin receptors with different physiological functions. Science. 1981 May 15;212(4496):827-9."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10997731	"Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00934	Maprotiline	BE0000756	DRD2	P14416	DRD2_HUMAN	binder	6086881	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102."	Approved; Investigational	Anthracenes	Organic compounds; Benzenoids; Anthracenes	"QTc Prolonging Agents; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Anthracenes; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21					2274	46508358	D02566	PA450322		DAP001150	Maprotiline	CHEMBL21731	6646
DB00935	Oxymetazoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	partial agonist	8894610; 8768700; 11774707; 8564226; 11527538; 20030735	"Yang HT, Endoh M: (+/-)-tamsulosin, an alpha 1A-adrenoceptor antagonist, inhibits the positive inotropic effect but not the accumulation of inositol phosphates in rabbit heart. Eur J Pharmacol. 1996 Oct 3;312(3):281-91.@@Deplanne V, Galzin AM: Functional characterization of alpha-1-adrenoceptor subtypes in the prostatic urethra and trigone of male rabbit. J Pharmacol Exp Ther. 1996 Aug;278(2):527-34.@@Shibata K, Taketani K: [Excitatory effect of noradrenaline on rat airway parasympathetic ganglion neurons]. Fukuoka Igaku Zasshi. 2001 Nov;92(11):377-83.@@Furukawa K, Rosario DJ, Smith DJ, Chapple CR, Uchiyama T, Chess-Williams R: Alpha 1A-adrenoceptor-mediated contractile responses of the human vas deferens. Br J Pharmacol. 1995 Sep;116(1):1605-10.@@Gonzalez-Espinosa C, Romero-Avila MT, Mora-Rodriguez DM, Gonzalez-Espinosa D, Garcia-Sainz JA: Molecular cloning and functional expression of the guinea pig alpha(1a)-adrenoceptor. Eur J Pharmacol. 2001 Aug 31;426(3):147-55.@@Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x."	Approved; Investigational	Xylenols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Dermatologicals; Nasal Decongestants; Autonomic Agents; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Vasoconstrictor Agents; Imidazoles; Vasoconstriction; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Ophthalmologicals; Decongestants and Antiallergics; UGT1A9 Substrates; Neurotransmitter Agents; Sympathomimetics, Plain; Adrenergic Agents; Sensory Organs"	CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C					10195	46505622	D08322	PA164748840		DAP000235	Oxymetazoline	CHEMBL762	7812
DB00935	Oxymetazoline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	20030735; 23364786; 21948594	"Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x.@@Akinaga J, Lima V, Kiguti LR, Hebeler-Barbosa F, Alcantara-Hernandez R, Garcia-Sainz JA, Pupo AS: Differential phosphorylation, desensitization, and internalization of alpha1A-adrenoceptors activated by norepinephrine and oxymetazoline. Mol Pharmacol. 2013 Apr;83(4):870-81. doi: 10.1124/mol.112.082313. Epub 2013 Jan  30.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777.  Epub 2011 Sep 23."	Approved; Investigational	Xylenols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Dermatologicals; Nasal Decongestants; Autonomic Agents; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Vasoconstrictor Agents; Imidazoles; Vasoconstriction; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Ophthalmologicals; Decongestants and Antiallergics; UGT1A9 Substrates; Neurotransmitter Agents; Sympathomimetics, Plain; Adrenergic Agents; Sensory Organs"	CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C					10195	46505622	D08322	PA164748840		DAP000235	Oxymetazoline	CHEMBL762	7812
DB00935	Oxymetazoline	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	1678720	"Schoeffter P, Hoyer D: Interaction of the alpha-adrenoceptor agonist oxymetazoline with serotonin 5-HT1A, 5-HT1B, 5-HT1C and 5-HT1D receptors. Eur J Pharmacol. 1991 Apr 17;196(2):213-6. doi: 10.1016/0014-2999(91)90432-p."	Approved; Investigational	Xylenols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Dermatologicals; Nasal Decongestants; Autonomic Agents; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Increased Sympathetic Activity; Cytochrome P-450 Substrates; Vasoconstrictor Agents; Imidazoles; Vasoconstriction; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; Adrenergic Agonists; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Ophthalmologicals; Decongestants and Antiallergics; UGT1A9 Substrates; Neurotransmitter Agents; Sympathomimetics, Plain; Adrenergic Agents; Sensory Organs"	CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C					10195	46505622	D08322	PA164748840		DAP000235	Oxymetazoline	CHEMBL762	7812
DB00937	Diethylpropion	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17139284; 17016423; 19897080	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Arias HR, Santamaria A, Ali SF: Pharmacological and neurotoxicological actions mediated by bupropion and diethylpropion. Int Rev Neurobiol. 2009;88:223-55. doi: 10.1016/S0074-7742(09)88009-4."	Approved; Illicit	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Amines; Central Nervous System Depressants; Antiobesity Preparations, Excl. Diet Products; Increased Sympathetic Activity; Anti-Obesity Agents; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Stimulants; Appetite Suppression; Appetite Depressants; Alimentary Tract and Metabolism"	CCN(CC)C(C)C(=O)C1=CC=CC=C1					9897	46506622	D07444	PA164778098		DAP001452	Amfepramone	CHEMBL1194666	3389
DB00937	Diethylpropion	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	11131159; 19897080	"Yu H, Rothman RB, Dersch CM, Partilla JS, Rice KC: Uptake and release effects of diethylpropion and its metabolites with biogenic amine transporters. Bioorg Med Chem. 2000 Dec;8(12):2689-92.@@Arias HR, Santamaria A, Ali SF: Pharmacological and neurotoxicological actions mediated by bupropion and diethylpropion. Int Rev Neurobiol. 2009;88:223-55. doi: 10.1016/S0074-7742(09)88009-4."	Approved; Illicit	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Centrally Acting Antiobesity Products; Amphetamines; Sympathomimetic Amine Anorectic; Amines; Central Nervous System Depressants; Antiobesity Preparations, Excl. Diet Products; Increased Sympathetic Activity; Anti-Obesity Agents; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Stimulants; Appetite Suppression; Appetite Depressants; Alimentary Tract and Metabolism"	CCN(CC)C(C)C(=O)C1=CC=CC=C1					9897	46506622	D07444	PA164778098		DAP001452	Amfepramone	CHEMBL1194666	3389
DB00939	Meclofenamic acid	BE0000897	KCNQ2	O43526	KCNQ2_HUMAN	other	15598972	"Peretz A, Degani N, Nachman R, Uziyel Y, Gibor G, Shabat D, Attali B: Meclofenamic acid and diclofenac, novel templates of KCNQ2/Q3 potassium channel openers, depress cortical neuron activity and exhibit anticonvulsant properties. Mol Pharmacol. 2005 Apr;67(4):1053-66. Epub 2004 Dec 14."	Approved; Vet_approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Drugs that are Mainly Renally Excreted; Aminobenzoates; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1					2114	46507887	D02341	PA450341		DNC000919	Meclofenamic_acid	CHEMBL509	6678
DB00939	Meclofenamic acid	BE0002398	KCNQ3	O43525	KCNQ3_HUMAN	other	15598972	"Peretz A, Degani N, Nachman R, Uziyel Y, Gibor G, Shabat D, Attali B: Meclofenamic acid and diclofenac, novel templates of KCNQ2/Q3 potassium channel openers, depress cortical neuron activity and exhibit anticonvulsant properties. Mol Pharmacol. 2005 Apr;67(4):1053-66. Epub 2004 Dec 14."	Approved; Vet_approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Drugs that are Mainly Renally Excreted; Aminobenzoates; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Antirheumatic Agents"	CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1					2114	46507887	D02341	PA450341		DNC000919	Meclofenamic_acid	CHEMBL509	6678
DB00940	Methantheline	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	6116801	"Hough LB, Barker LA: Histamine H2-receptor antagonism by propantheline and derivatives. J Pharmacol Exp Ther. 1981 Nov;219(2):453-8."	Approved; Investigational	Xanthenes	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism"	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12						46505807		PA164747037		DAP001109	Methantheline	CHEMBL1201264	6821
DB00940	Methantheline	BE0000560	CHRM2	P08172	ACM2_HUMAN		17922784; 29938305	"Abrams P, Andersson KE: Muscarinic receptor antagonists for overactive bladder. BJU Int. 2007 Nov;100(5):987-1006. doi: 10.1111/j.1464-410X.2007.07205.x.@@Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24."	Approved; Investigational	Xanthenes	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism"	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12						46505807		PA164747037		DAP001109	Methantheline	CHEMBL1201264	6821
DB00940	Methantheline	BE0000045	CHRM3	P20309	ACM3_HUMAN		17922784; 29938305	"Abrams P, Andersson KE: Muscarinic receptor antagonists for overactive bladder. BJU Int. 2007 Nov;100(5):987-1006. doi: 10.1111/j.1464-410X.2007.07205.x.@@Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24."	Approved; Investigational	Xanthenes	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism"	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12						46505807		PA164747037		DAP001109	Methantheline	CHEMBL1201264	6821
DB00940	Methantheline	BE0000247	CHRM5	P08912	ACM5_HUMAN		29938305	"Irmen M, Holze J, Bodefeld T, Trankle C: Characterization of methanthelinium binding and function at human M1-M5 muscarinic acetylcholine receptors. Naunyn Schmiedebergs Arch Pharmacol. 2018 Oct;391(10):1037-1052. doi: 10.1007/s00210-018-1525-1. Epub 2018 Jun 24."	Approved; Investigational	Xanthenes	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Anticholinergic Agents; Histamine H2 Antagonists; Muscarinic Antagonists; Acid Reducers; Quaternary Ammonium Compounds; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Agents producing tachycardia; Cholinergic Agents; Alimentary Tract and Metabolism"	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12						46505807		PA164747037		DAP001109	Methantheline	CHEMBL1201264	6821
DB00941	Hexafluronium	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	948350; 11752352	"Schuh FR: Interaction of hexafluorenium with human plasma cholinesterase in comparison with hexamethonium. Naunyn Schmiedebergs Arch Pharmacol. 1976;293(1):11-3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Hexamethonium compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Anticholinergic Agents; Quaternary Ammonium Compounds; Musculo-Skeletal System; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Muscle Relaxants; Onium Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Bis-Trimethylammonium Compounds; Cholinergic Agents; Muscle Relaxants, Peripherally Acting Agents"	C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2						46507171	D04435	PA164743020		DAP000963	Hexafluronium_bromide	CHEMBL1201349	26826
DB00944	Demecarium	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	7196602; 8430939	"Meiniel R: Neuromuscular blocking agents and axial teratogenesis in the avian embryo. Can axial morphogenetic disorders by explained by pharmacological action upon muscle tissue? Teratology. 1981 Apr;23(2):259-71.@@Gum GG, Gelatt KN, Gelatt JK, Jones R: Effect of topically applied demecarium bromide and echothiophate iodide on intraocular pressure and pupil size in beagles with normotensive eyes and beagles with inherited glaucoma. Am J Vet Res. 1993 Feb;54(2):287-93."	Approved	Phenoxy compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds	Nitrogen Compounds; Parasympathomimetics; Onium Compounds; Amines; Enzyme Inhibitors; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Ammonium Compounds; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C						46507824	D00667	PA164745610		DAP000894	Demecarium_bromide	CHEMBL1201229	107771
DB00945	Acetylsalicylic acid	BE0000521	EDNRA	P25101	EDNRA_HUMAN	inhibitor	10727528; 11093786; 26956245	"Talbodec A, Berkane N, Blandin V, Breittmayer JP, Ferrari E, Frelin C, Vigne P: Aspirin and sodium salicylate inhibit endothelin ETA receptors by an allosteric type of mechanism. Mol Pharmacol. 2000 Apr;57(4):797-804.@@Blandin V, Vigne P, Breittmayer JP, Frelin C: Allosteric inhibition of endothelin ETA receptors by 3, 5-dibromosalicylic acid. Mol Pharmacol. 2000 Dec;58(6):1461-9.@@Davenport AP, Hyndman KA, Dhaun N, Southan C, Kohan DE, Pollock JS, Pollock DM, Webb DJ, Maguire JJ: Endothelin. Pharmacol Rev. 2016 Apr;68(2):357-418. doi: 10.1124/pr.115.011833."	Approved; Vet_approved	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate"	CC(=O)OC1=CC=CC=C1C(O)=O		Acetylsalicylic Acid Action Pathway	drug_action		150	46505803	D00109	PA448497		DAP000843	Aspirin	CHEMBL25	1191
DB00945	Acetylsalicylic acid	BE0004876	RPS6KA3	P51812	KS6A3_HUMAN	inhibitor	10553090; 21142801; 9817196	"Stevenson MA, Zhao MJ, Asea A, Coleman CN, Calderwood SK: Salicylic acid and aspirin inhibit the activity of RSK2 kinase and repress RSK2-dependent transcription of cyclic AMP response element binding protein- and NF-kappa B-responsive genes. J Immunol. 1999 Nov 15;163(10):5608-16.@@Stratford AL, Dunn SE: The promise and challenges of targeting RSK for the treatment of cancer. Expert Opin Ther Targets. 2011 Jan;15(1):1-4. doi: 10.1517/14728222.2011.537656.@@O'Neill EA: A new target for aspirin. Nature. 1998 Nov 5;396(6706):15, 17. doi: 10.1038/23810."	Approved; Vet_approved	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate"	CC(=O)OC1=CC=CC=C1C(O)=O		Acetylsalicylic Acid Action Pathway	drug_action		150	46505803	D00109	PA448497		DAP000843	Aspirin	CHEMBL25	1191
DB00945	Acetylsalicylic acid	BE0001154	IKBKB	O14920	IKKB_HUMAN		24874482; 10779355; 29079505; 21797846; 11160126; 14755344	"Alfonso L, Ai G, Spitale RC, Bhat GJ: Molecular targets of aspirin and cancer prevention. Br J Cancer. 2014 Jul 8;111(1):61-7. doi: 10.1038/bjc.2014.271. Epub 2014 May 29.@@Yamamoto Y, Yin MJ, Gaynor RB: IkappaB kinase alpha (IKKalpha) regulation of IKKbeta kinase activity. Mol Cell Biol. 2000 May;20(10):3655-66.@@Konig HG, Watters O, Kinsella S, Ameen M, Fenner BJ, Prehn JHM: A constitutively-active IKK-complex at the axon initial segment. Brain Res. 2018 Jan 1;1678:356-366. doi: 10.1016/j.brainres.2017.10.020. Epub 2017 Oct 24.@@Gamble C, McIntosh K, Scott R, Ho KH, Plevin R, Paul A: Inhibitory kappa B Kinases as targets for pharmacological regulation. Br J Pharmacol. 2012 Feb;165(4):802-19. doi: 10.1111/j.1476-5381.2011.01608.x.@@Yamamoto Y, Gaynor RB: Therapeutic potential of inhibition of the NF-kappaB pathway in the treatment of inflammation and cancer. J Clin Invest. 2001 Jan;107(2):135-42. doi: 10.1172/JCI11914.@@Rohl M, Pasparakis M, Baudler S, Baumgartl J, Gautam D, Huth M, De Lorenzi R, Krone W, Rajewsky K, Bruning JC: Conditional disruption of IkappaB kinase 2 fails to prevent obesity-induced insulin resistance. J Clin Invest. 2004 Feb;113(3):474-81. doi: 10.1172/JCI18712."	Approved; Vet_approved	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate"	CC(=O)OC1=CC=CC=C1C(O)=O		Acetylsalicylic Acid Action Pathway	drug_action		150	46505803	D00109	PA448497		DAP000843	Aspirin	CHEMBL25	1191
DB00945	Acetylsalicylic acid	BE0004689	MYC	P01106	MYC_HUMAN	downregulator	10993886; 28415819; 26314861	"Law BK, Waltner-Law ME, Entingh AJ, Chytil A, Aakre ME, Norgaard P, Moses HL: Salicylate-induced growth arrest is associated with inhibition of p70s6k and down-regulation of c-myc, cyclin D1, cyclin A, and proliferating cell nuclear antigen. J Biol Chem. 2000 Dec 8;275(49):38261-7. doi: 10.1074/jbc.M005545200.@@Cheng R, Liu YJ, Cui JW, Yang M, Liu XL, Li P, Wang Z, Zhu LZ, Lu SY, Zou L, Wu XQ, Li YX, Zhou Y, Fang ZY, Wei W: Aspirin regulation of c-myc and cyclinD1 proteins to overcome tamoxifen resistance in estrogen receptor-positive breast cancer cells. Oncotarget. 2017 May 2;8(18):30252-30264. doi: 10.18632/oncotarget.16325.@@Ai G, Dachineni R, Muley P, Tummala H, Bhat GJ: Aspirin and salicylic acid decrease c-Myc expression in cancer cells: a potential role in chemoprevention. Tumour Biol. 2016 Feb;37(2):1727-38. doi: 10.1007/s13277-015-3959-0. Epub 2015 Aug 28."	Approved; Vet_approved	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Agents causing angioedema; Nephrotoxic agents; P-glycoprotein inducers; Hydroxybenzoates; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antipyretics; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; Salicylates; Stomatological Preparations; Decreased Prostaglandin Production; P-glycoprotein substrates; Antiplatelet agents; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Musculo-Skeletal System; Acids, Carbocyclic; Blood and Blood Forming Organs; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Decreased Platelet Aggregation; Cyclooxygenase Inhibitors; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); Salicylic Acid and Derivatives; Hematologic Agents; UGT1A6 substrate"	CC(=O)OC1=CC=CC=C1C(O)=O		Acetylsalicylic Acid Action Pathway	drug_action		150	46505803	D00109	PA448497		DAP000843	Aspirin	CHEMBL25	1191
DB00947	Fulvestrant	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	11398912; 11922402; 12080538; 12113237; 12542403; 11752352; 20151846; 15018596; 15865850	"Curran M, Wiseman L: Fulvestrant. Drugs. 2001;61(6):807-13; discussion 814.@@Elkak AE, Mokbel K: Pure antiestrogens and breast cancer. Curr Med Res Opin. 2001;17(4):282-9.@@Dow KH: Existing and emerging endocrine therapies for breast cancer. Cancer Nurs. 2002 Apr;25 Suppl 2:6S-11S.@@Bundred N, Howell A: Fulvestrant (Faslodex): current status in the therapy of breast cancer. Expert Rev Anticancer Ther. 2002 Apr;2(2):151-60.@@Morris C, Wakeling A: Fulvestrant ('Faslodex')--a new treatment option for patients progressing on prior endocrine therapy. Endocr Relat Cancer. 2002 Dec;9(4):267-76.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kabos P, Borges VF: Fulvestrant: a unique antiendocrine agent for estrogen-sensitive breast cancer. Expert Opin Pharmacother. 2010 Apr;11(5):807-16. doi: 10.1517/14656561003641982.@@McKeage K, Curran MP, Plosker GL: Fulvestrant: a review of its use in hormone receptor-positive metastatic breast cancer in postmenopausal women with disease progression following antiestrogen therapy. Drugs. 2004;64(6):633-48.@@Jones SE, Pippen J: Effectiveness and tolerability of fulvestrant in postmenopausal women with hormone receptor-positive breast cancer. Clin Breast Cancer. 2005 Apr;6 Suppl 1:S9-14."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Estradiol Congeners; Estrogen Receptor Antagonists; Estrenes; Anti-Estrogens; Cytochrome P-450 Substrates; Estranes; Steroids; Estrogen Antagonists; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Gonadal Steroid Hormones; Endocrine Therapy; UGT1A1 Substrates; Antineoplastic Agents, Hormonal; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H]					13276	46508664	D01161	PA164747170		DAP000319	Fulvestrant	CHEMBL1358	282357
DB00949	Felbamate	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	10215667; 10690753; 11752352; 18311896; 18253065	"Kleckner NW, Glazewski JC, Chen CC, Moscrip TD: Subtype-selective antagonism of N-methyl-D-aspartate receptors by felbamate: insights into the mechanism of action. J Pharmacol Exp Ther. 1999 May;289(2):886-94.@@Harty TP, Rogawski MA: Felbamate block of recombinant N-methyl-D-aspartate receptors: selectivity for the NR2B subunit. Epilepsy Res. 2000 Mar;39(1):47-55.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chang HR, Kuo CC: Molecular determinants of the anticonvulsant felbamate binding site in the N-methyl-D-aspartate receptor. J Med Chem. 2008 Mar 27;51(6):1534-45. doi: 10.1021/jm0706618. Epub 2008 Feb 27.@@Luszczki JJ, Danysz W, Czuczwar SJ: Interactions of MRZ 2/576 with felbamate, lamotrigine, oxcarbazepine and topiramate in the mouse maximal electroshock-induced seizure model. Pharmacology. 2008;81(3):259-65. doi: 10.1159/000114870. Epub 2008 Feb 4."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Glycols; Carbamates; Alcohols; Phenylcarbamates; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Propylene Glycols; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	NC(=O)OCC(COC(N)=O)C1=CC=CC=C1		Felbamate Metabolism Pathway	drug_metabolism			46506375	D00536	PA449590		DAP000093	Felbamate	CHEMBL1094	24812
DB00949	Felbamate	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	antagonist	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Glycols; Carbamates; Alcohols; Phenylcarbamates; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Propylene Glycols; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	NC(=O)OCC(COC(N)=O)C1=CC=CC=C1		Felbamate Metabolism Pathway	drug_metabolism			46506375	D00536	PA449590		DAP000093	Felbamate	CHEMBL1094	24812
DB00950	Fexofenadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	18336052; 19545214	"Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30.@@Smith SM, Gums JG: Fexofenadine: biochemical, pharmacokinetic and pharmacodynamic properties and its unique role in allergic disorders. Expert Opin Drug Metab Toxicol. 2009 Jul;5(7):813-22. doi: 10.1517/17425250903044967."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Anti-Allergic Agents; Piperidines; OAT3/SLC22A8 Substrates; OATP1B3 substrates; Histamine Antagonists; Neurotransmitter Agents; OATP2B1/SLCO2B1 substrates; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; OATP1B1/SLCO1B1 Substrates; Benzhydryl Compounds; Antihistamines for Systemic Use; Histamine Agents; Benzene Derivatives; P-glycoprotein substrates"	CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1		Fexofenadine H1-Antihistamine Action	drug_action		11456	46504676	D07958	PA449621		DAP000330	Fexofenadine	CHEMBL914	87636
DB00951	Isoniazid	BE0003536	CYP2C19	P33261	CP2CJ_HUMAN		16248836	"Fontana E, Dansette PM, Poli SM: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Curr Drug Metab. 2005 Oct;6(5):413-54."	Approved; Investigational	Pyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (moderate); Isonicotinic Acids; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2E1 Inducers; Antiinfectives for Systemic Use; Pyridines; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Drugs for Treatment of Tuberculosis; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Hydrazines; Drugs that are Mainly Renally Excreted; Fatty Acid Synthesis Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Hydrazides; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Agents that reduce seizure threshold; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antimycobacterials; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	NNC(=O)C1=CC=NC=C1					6618	46506039	D00346	PA450112		DAP000011	Isoniazid	CHEMBL64	6038
DB00952	Naratriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	10563228; 11897116; 8741180; 11752352; 12010764; 14725972; 14728705; 20687618; 10410185; 11152011; 12463278; 16389295	"Hargreaves RJ, Shepheard SL: Pathophysiology of migraine--new insights. Can J Neurol Sci. 1999 Nov;26 Suppl 3:S12-9.@@Donaldson C, Boers PM, Hoskin KL, Zagami AS, Lambert GA: The role of 5-HT1B and 5-HT1D receptors in the selective inhibitory effect of naratriptan on trigeminovascular neurons. Neuropharmacology. 2002 Mar;42(3):374-85.@@Pauwels PJ, Colpaert FC: Selective antagonism of human 5-HT1D and 5-HT1B receptor-mediated responses in stably transfected C6-glial cells by ketanserin and GR 127,935. Eur J Pharmacol. 1996 Apr 4;300(1-2):141-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Akin D, Onaran HO, Gurdal H: Agonist-directed trafficking explaining the difference between response pattern of naratriptan and sumatriptan in rabbit common carotid artery. Br J Pharmacol. 2002 May;136(2):171-6.@@Hoskin KL, Lambert GA, Donaldson C, Zagami AS: The 5-hydroxytryptamine1B/1D/1F receptor agonists eletriptan and naratriptan inhibit trigeminovascular input to the nucleus tractus solitarius in the cat. Brain Res. 2004 Feb 13;998(1):91-9.@@Boers PM, Donaldson C, Zagami AS, Lambert GA: Naratriptan has a selective inhibitory effect on trigeminovascular neurones at central 5-HT1A and 5-HT(1B/1D) receptors in the cat: implications for migraine therapy. Cephalalgia. 2004 Feb;24(2):99-109.@@Johnston MM, Rapoport AM: Triptans for the management of migraine. Drugs. 2010 Aug 20;70(12):1505-18. doi: 10.2165/11537990-000000000-00000.@@Dulli DA: Naratriptan: an alternative for migraine. Ann Pharmacother. 1999 Jun;33(6):704-11.@@Tfelt-Hansen P, De Vries P, Saxena PR: Triptans in migraine: a comparative review of pharmacology, pharmacokinetics and efficacy. Drugs. 2000 Dec;60(6):1259-87.@@Massiou H: Naratriptan. Curr Med Res Opin. 2001;17 Suppl 1:s51-3.@@Lambert GA: Preclinical neuropharmacology of naratriptan. CNS Drug Rev. 2005 Autumn;11(3):289-316."	Approved; Investigational	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cardiovascular Agents; Central Nervous System Depressants; Selective Serotonin Agonists; Vasoconstrictor Agents; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1					11770	46507243	D08255	PA450597		DAP000890	Naratriptan	CHEMBL1278	141366
DB00952	Naratriptan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	11752352; 14725972; 11152011; 12463278; 15320857; 14614913; 12434581	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hoskin KL, Lambert GA, Donaldson C, Zagami AS: The 5-hydroxytryptamine1B/1D/1F receptor agonists eletriptan and naratriptan inhibit trigeminovascular input to the nucleus tractus solitarius in the cat. Brain Res. 2004 Feb 13;998(1):91-9.@@Tfelt-Hansen P, De Vries P, Saxena PR: Triptans in migraine: a comparative review of pharmacology, pharmacokinetics and efficacy. Drugs. 2000 Dec;60(6):1259-87.@@Massiou H: Naratriptan. Curr Med Res Opin. 2001;17 Suppl 1:s51-3.@@Villalon CM, Centurion D, Valdivia LF, de Vries P, Saxena PR: Migraine: pathophysiology, pharmacology, treatment and future trends. Curr Vasc Pharmacol. 2003 Mar;1(1):71-84.@@Goadsby PJ, Classey JD: Evidence for serotonin (5-HT)1B, 5-HT1D and 5-HT1F receptor inhibitory effects on trigeminal neurons with craniovascular input. Neuroscience. 2003;122(2):491-8.@@Villalon CM, Centurion D, Valdivia LF, De Vries P, Saxena PR: An introduction to migraine: from ancient treatment to functional pharmacology and antimigraine therapy. Proc West Pharmacol Soc. 2002;45:199-210."	Approved; Investigational	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Cardiovascular Agents; Central Nervous System Depressants; Selective Serotonin Agonists; Vasoconstrictor Agents; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1					11770	46507243	D08255	PA450597		DAP000890	Naratriptan	CHEMBL1278	141366
DB00953	Rizatriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11752352; 9127118; 8904614; 9056052; 11487512; 15821444; 12093318; 12269863; 15056946	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Longmore J, Hargreaves RJ, Boulanger CM, Brown MJ, Desta B, Ferro A, Schofield WN, Taylor AA, Hill RG: Comparison of the vasoconstrictor properties of the 5-HT1D-receptor agonists rizatriptan (MK-462) and sumatriptan in human isolated coronary artery: outcome of two independent studies using different experimental protocols. Funct Neurol. 1997 Jan-Feb;12(1):3-9.@@Longmore J, Boulanger CM, Desta B, Hill RG, Schofield WN, Taylor AA: 5-HT1D receptor agonists and human coronary artery reactivity in vitro: crossover comparisons of 5-HT and sumatriptan with rizatriptan and L-741,519. Br J Clin Pharmacol. 1996 Oct;42(4):431-41.@@Sciberras DG, Polvino WJ, Gertz BJ, Cheng H, Stepanavage M, Wittreich J, Olah T, Edwards M, Mant T: Initial human experience with MK-462 (rizatriptan): a novel 5-HT1D agonist. Br J Clin Pharmacol. 1997 Jan;43(1):49-54.@@Williamson DJ, Hill RG, Shepheard SL, Hargreaves RJ: The anti-migraine 5-HT(1B/1D) agonist rizatriptan inhibits neurogenic dural vasodilation in anaesthetized guinea-pigs. Br J Pharmacol. 2001 Aug;133(7):1029-34.@@Wackenfors A, Jarvius M, Ingemansson R, Edvinsson L, Malmsjo M: Triptans induce vasoconstriction of human arteries and veins from the thoracic wall. J Cardiovasc Pharmacol. 2005 May;45(5):476-84.@@Wellington K, Plosker GL: Rizatriptan: an update of its use in the management of migraine. Drugs. 2002;62(10):1539-74.@@Wellington K, Jarvis B: Spotlight on rizatriptan in migraine. CNS Drugs. 2002;16(10):715-20.@@Ikemoto F, Toru T, Aijima H, Natsumeda Y: [Rizatriptan (Maxalt), a new entity of triptan for migraine: pharmacology and therapeutic relevance]. Nihon Yakurigaku Zasshi. 2004 Apr;123(4):295-302."	Approved	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2					11899	46506557	D00675	PA451264		DAP000220	Rizatriptan	CHEMBL905	88014
DB00953	Rizatriptan	BE0000476	HTR1E	P28566	5HT1E_HUMAN	agonist			Approved	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2					11899	46506557	D00675	PA451264		DAP000220	Rizatriptan	CHEMBL905	88014
DB00953	Rizatriptan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	11752352; 15320857; 12434581; 9718276; 14614913	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Villalon CM, Centurion D, Valdivia LF, de Vries P, Saxena PR: Migraine: pathophysiology, pharmacology, treatment and future trends. Curr Vasc Pharmacol. 2003 Mar;1(1):71-84.@@Villalon CM, Centurion D, Valdivia LF, De Vries P, Saxena PR: An introduction to migraine: from ancient treatment to functional pharmacology and antimigraine therapy. Proc West Pharmacol Soc. 2002;45:199-210.@@Wainscott DB, Johnson KW, Phebus LA, Schaus JM, Nelson DL: Human 5-HT1F receptor-stimulated [35S]GTPgammaS binding: correlation with inhibition of guinea pig dural plasma protein extravasation. Eur J Pharmacol. 1998 Jul 3;352(1):117-24.@@Goadsby PJ, Classey JD: Evidence for serotonin (5-HT)1B, 5-HT1D and 5-HT1F receptor inhibitory effects on trigeminal neurons with craniovascular input. Neuroscience. 2003;122(2):491-8."	Approved	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2					11899	46506557	D00675	PA451264		DAP000220	Rizatriptan	CHEMBL905	88014
DB00953	Rizatriptan	BE0000650	HTR7	P34969	5HT7R_HUMAN	agonist			Approved	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Selective Serotonin Agonists; Triptans; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Nervous System"	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2					11899	46506557	D00675	PA451264		DAP000220	Rizatriptan	CHEMBL905	88014
DB00957	Norgestimate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	1324557; 17107221; 7750291; 8384965; 11752352	"London RS, Chapdelaine A, Upmalis D, Olson W, Smith J: Comparative contraceptive efficacy and mechanism of action of the norgestimate-containing triphasic oral contraceptive. Acta Obstet Gynecol Scand Suppl. 1992;156:9-14.@@Graziottin A: A review of transdermal hormonal contraception : focus on the ethinylestradiol/norelgestromin contraceptive patch. Treat Endocrinol. 2006;5(6):359-65.@@Kuhnz W, Fritzemeier KH, Hegele-Hartung C, Krattenmacher R: Comparative progestational activity of norgestimate, levonorgestrel-oxime and levonorgestrel in the rat and binding of these compounds to the progesterone receptor. Contraception. 1995 Feb;51(2):131-9.@@Juchem M, Pollow K, Elger W, Hoffmann G, Mobus V: Receptor binding of norgestimate--a new orally active synthetic progestational compound. Contraception. 1993 Mar;47(3):283-94.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Norpregnenes; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Norpregnanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O					7492	46507381	D05209	PA164744346		DAP001210	Norgestimate	CHEMBL1200934	31994
DB00957	Norgestimate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	14670645; 2175153; 14672731; 25970022	"Pasqualini JR: Differential effects of progestins on breast tissue enzymes. Maturitas. 2003 Dec 10;46 Suppl 1:S45-54.@@Juchem M, Pollow K: Binding of oral contraceptive progestogens to serum proteins and cytoplasmic receptor. Am J Obstet Gynecol. 1990 Dec;163(6 Pt 2):2171-83. doi: 10.1016/0002-9378(90)90559-p.@@Shields-Botella J, Duc I, Duranti E, Puccio F, Bonnet P, Delansorne R, Paris J: An overview of nomegestrol acetate selective receptor binding and lack of estrogenic action on hormone-dependent cancer cells. J Steroid Biochem Mol Biol. 2003 Nov;87(2-3):111-22.@@Paris F, Balaguer P, Rimbault F, Gaspari L, Sultan C: Molecular action of norgestimate: new developments. Gynecol Endocrinol. 2015 Jun;31(6):487-90. doi: 10.3109/09513590.2015.1016904. Epub 2015 May 13."	Approved; Investigational	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Progestins; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Norpregnenes; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; Sex Hormones and Modulators of the Genital System; Steroids; Norpregnanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O					7492	46507381	D05209	PA164744346		DAP001210	Norgestimate	CHEMBL1200934	31994
DB00959	Methylprednisolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	17182172; 17016711; 17068119; 17251323; 11752352	"Owen HC, Miner JN, Ahmed SF, Farquharson C: The growth plate sparing effects of the selective glucocorticoid receptor modulator, AL-438. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):164-70. Epub 2006 Dec 19.@@Juruena MF, Cleare AJ, Papadopoulos AS, Poon L, Lightman S, Pariante CM: Different responses to dexamethasone and prednisolone in the same depressed patients. Psychopharmacology (Berl). 2006 Dec;189(2):225-35. Epub 2006 Oct 3.@@Boivin MA, Ye D, Kennedy JC, Al-Sadi R, Shepela C, Ma TY: Mechanism of glucocorticoid regulation of the intestinal tight junction barrier. Am J Physiol Gastrointest Liver Physiol. 2007 Feb;292(2):G590-8. Epub 2006 Oct 26.@@Quesnell RR, Han X, Schultz BD: Glucocorticoids stimulate ENaC upregulation in bovine mammary epithelium. Am J Physiol Cell Physiol. 2007 May;292(5):C1739-45. Epub 2007 Jan 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Acne Preparations for Topical Use; Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Protective Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Gastrointestinal Agents; Corticosteroids, Weak (Group I); Neuroprotective Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Antiemetics; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C					7621	46504885	D00407	PA450466		DAP001040	Methylprednisolone	CHEMBL650	6902
DB00959	Methylprednisolone	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Acne Preparations for Topical Use; Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Protective Agents; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Gastrointestinal Agents; Corticosteroids, Weak (Group I); Neuroprotective Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Ophthalmological and Otological Preparations; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Antiemetics; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Pregnadienes; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C					7621	46504885	D00407	PA450466		DAP001040	Methylprednisolone	CHEMBL650	6902
DB00961	Mepivacaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 20044988	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Leffler A, Reckzeh J, Nau C: Block of sensory neuronal Na+ channels by the secreolytic ambroxol is associated with an interaction with local anesthetic binding sites. Eur J Pharmacol. 2010 Mar 25;630(1-3):19-28. doi: 10.1016/j.ejphar.2009.12.027. Epub 2010 Jan 4."	Approved; Vet_approved	Piperidinecarboxamides	Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives	"Local Anesthetics (Amide); Local Anesthesia; Sensory System Agents; Piperidines; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Anesthetics; Nervous System; Amides; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents"	CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C		Mepivacaine Action Pathway	drug_action		10271	46507857	D08181	PA164748741		DAP001232	Mepivacaine	CHEMBL1087	6759
DB00964	Apraclonidine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17824139; 16921219; 20399934; 18454417; 17572343; 16935593; 15937427	"Moodley AA, Spooner RB: Apraclonidine in the diagnosis of Horner's syndrome. S Afr Med J. 2007 Jul;97(7):506-7.@@Mirzai H, Baser EF: Congenital Horner's syndrome and the usefulness of the apraclonidine test in its diagnosis. Indian J Ophthalmol. 2006 Sep;54(3):197-9.@@Sueke H, Chandna A: Using apraclonidine in diagnosing Horner syndrome in children. Am J Ophthalmol. 2010 May;149(5):869; author reply 870. doi: 10.1016/j.ajo.2010.01.023.@@Kawasaki A, Borruat FX: False negative apraclonidine test in two patients with Horner syndrome. Klin Monbl Augenheilkd. 2008 May;225(5):520-2. doi: 10.1055/s-2008-1027349.@@Watts P, Satterfield D, Lim MK: Adverse effects of apraclonidine used in the diagnosis of Horner syndrome in infants. J AAPOS. 2007 Jun;11(3):282-3.@@Chen PL, Hsiao CH, Chen JT, Lu DW, Chen WY: Efficacy of apraclonidine 0.5% in the diagnosis of Horner syndrome in pediatric patients under low or high illumination. Am J Ophthalmol. 2006 Sep;142(3):469-74.@@Freedman KA, Brown SM: Topical apraclonidine in the diagnosis of suspected Horner syndrome. J Neuroophthalmol. 2005 Jun;25(2):83-5."	Approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Hypotensive Agents; Adrenergic Agonists; Sympathomimetics in Glaucoma Therapy; Ophthalmologicals; Adrenergic alpha-Agonists; Sensory Organs; Neurotransmitter Agents; Imidazoles; Antiglaucoma Preparations and Miotics; Adrenergic alpha-2 Receptor Agonists; Adrenergic Agents; Imidazolines; Adrenergic alpha-1 Receptor Agonists; EENT Drugs, Miscellaneous; Ophthalmics"	NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1					11372	46505614		PA164748866		DAP000236	Apraclonidine	CHEMBL647	14845
DB00966	Telmisartan	BE0000215	PPARG	P37231	PPARG_HUMAN	partial agonist	19147680; 16938288; 18580862; 15617852; 15868121; 17691961; 16154710	"Tagami T, Yamamoto H, Moriyama K, Sawai K, Usui T, Shimatsu A, Naruse M: A selective peroxisome proliferator-activated receptor-gamma modulator, telmisartan, binds to the receptor in a different fashion from thiazolidinediones. Endocrinology. 2009 Feb;150(2):862-70. doi: 10.1210/en.2008-0502. Epub 2009 Jan 15.@@Imayama I, Ichiki T, Inanaga K, Ohtsubo H, Fukuyama K, Ono H, Hashiguchi Y, Sunagawa K: Telmisartan downregulates angiotensin II type 1 receptor through activation of peroxisome proliferator-activated receptor gamma. Cardiovasc Res. 2006 Oct 1;72(1):184-90. Epub 2006 Jul 21.@@Kurtz TW: Beyond the classic angiotensin-receptor-blocker profile. Nat Clin Pract Cardiovasc Med. 2008 Jul;5 Suppl 1:S19-26. doi: 10.1038/ncpcardio0805.@@Yamagishi S, Takeuchi M: Telmisartan is a promising cardiometabolic sartan due to its unique PPAR-gamma-inducing property. Med Hypotheses. 2005;64(3):476-8.@@Kurtz TW: Treating the metabolic syndrome: telmisartan as a peroxisome proliferator-activated receptor-gamma activator. Acta Diabetol. 2005 Apr;42 Suppl 1:S9-16.@@Yamagishi S, Nakamura K, Matsui T: Potential utility of telmisartan, an angiotensin II type 1 receptor blocker with peroxisome proliferator-activated receptor-gamma (PPAR-gamma)-modulating activity for the treatment of cardiometabolic disorders. Curr Mol Med. 2007 Aug;7(5):463-9.@@Yamagishi S, Takenaka K, Inoue H: Role of insulin-sensitizing property of telmisartan, a commercially available angiotensin II type 1 receptor blocker in preventing the development of atrial fibrillation. Med Hypotheses. 2006;66(1):118-20. Epub 2005 Sep 12."	Approved; Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	"Agents Acting on the Renin-Angiotensin System; Agents causing angioedema; Antihypertensive Agents; Benzene Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; BCRP/ABCG2 Inhibitors; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Biphenyl Compounds; P-glycoprotein inhibitors; Angiotensin II receptor blockers (ARBs) and diuretics; Heterocyclic Compounds, Fused-Ring; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; UGT1A3 substrates; Angiotensin II Type 1 Receptor Blockers; Angiotensin II receptor blockers (ARBs), plain; BSEP/ABCB11 Substrates; Angiotensin Receptor Antagonists; Angiotensin II receptor antagonists; Angiotensin II Type 2 Receptor Blockers; Cytochrome P-450 CYP2C19 Inhibitors; Angiotensin 2 Receptor Blocker; Benzimidazoles"	CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O		Telmisartan Action Pathway	drug_action		11907	46505370	D00627	PA451605		DAP000766	Telmisartan	CHEMBL1017	73494
DB00967	Desloratadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	15564772; 7581058; 8174605; 11752352; 18336052; 17902729; 12642846; 18797058	"Wu RL, Anthes JC, Kreutner W, Harris AG, West RE Jr: Desloratadine inhibits constitutive and histamine-stimulated nuclear factor-kappaB activity consistent with inverse agonism at the histamine H1 Receptor. Int Arch Allergy Immunol. 2004 Dec;135(4):313-8. Epub 2004 Nov 24.@@Cieslewicz G, Gondorowicz K, Grzelewska-Rzymowska I, Rozniecki J: [Effect of loratadine, selective antagonist of histamine H1 receptors, on histamine-induced bronchoconstriction]. Pneumonol Alergol Pol. 1995;63(5-6):281-5.@@Letari O, Miozzo A, Folco G, Belloni PA, Sala A, Rovati GE, Nicosia S: Effects of loratadine on cytosolic Ca2+ levels and leukotriene release: novel mechanisms of action independent of the anti-histamine activity. Eur J Pharmacol. 1994 Feb 15;266(3):219-27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30.@@DuBuske L: Desloratadine for chronic idiopathic urticaria: a review of clinical efficacy. Am J Clin Dermatol. 2007;8(5):271-83.@@Simons FE, Prenner BM, Finn A Jr: Efficacy and safety of desloratadine in the treatment of perennial allergic rhinitis. J Allergy Clin Immunol. 2003 Mar;111(3):617-22.@@Dhanya NB, Thasleem Z, Rai R, Srinivas CR: Comparative efficacy of levocetirizine, desloratidine and fexofenadine by histamine wheal suppression test. Indian J Dermatol Venereol Leprol. 2008 Jul-Aug;74(4):361-3."	Approved; Investigational	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	"P-glycoprotein inhibitors; Anticholinergic Agents; Piperidines; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Loratadine and derivatives; Neurotransmitter Agents; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents; Cholinergic Agents; Histamine H1 Antagonists, Non-Sedating; Moderate Risk QTc-Prolonging Agents"	ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1		Desloratadine H1-Antihistamine Action	drug_action		12210	46507996	D03693	PA164776964		DAP000331	Desloratadine	CHEMBL1172	275635
DB00968	Methyldopa	BE0002151	DDC	P20711	DDC_HUMAN	inhibitor	13189588; 3855724	"SOURKES TL: Inhibition of dihydroxy-phenylalanine decarboxylase by derivatives of phenylalanine. Arch Biochem Biophys. 1954 Aug;51(2):444-56.@@Campbell NR, Sundaram RS, Werness PG, Van Loon J, Weinshilboum RM: Sulfate and methyldopa metabolism: metabolite patterns and platelet phenol sulfotransferase activity. Clin Pharmacol Ther. 1985 Mar;37(3):308-15. doi: 10.1038/clpt.1985.45."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Antiadrenergic Agents, Centrally Acting; Central alpha-2 Adrenergic Agonist; Amines; Enzyme Inhibitors; Adrenergic alpha-Agonists; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists; Catecholamines; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Autonomic Agents; Amino Acids, Aromatic; Dihydroxyphenylalanine; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Phenols; Sympatholytics; Drugs that are Mainly Renally Excreted; Aromatic L-amino Acid Decarboxylase Inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Adrenergic Agonists; COMT Substrates; Peripheral Nervous System Agents; Central Alpha-agonists; Amino Acids, Cyclic; Catechols; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents"	C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O					20297	46508535	D08205	PA450453		DAP000226	Methyldopa	CHEMBL459	1545996
DB00970	Dactinomycin	BE0004951	TOP2A	Q02880	TOP2B_HUMAN	inhibitor	7756657	"Felix CA, Hosler MR, Winick NJ, Masterson M, Wilson AE, Lange BJ: ALL-1 gene rearrangements in DNA topoisomerase II inhibitor-related leukemia in children. Blood. 1995 Jun 1;85(11):3250-6."	Approved; Investigational	Cyclic depsipeptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Depsipeptides	"Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Peptides, Cyclic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Protein Synthesis Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Actinomycines; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Actinomycin; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Immunosuppressive Agents; Narrow Therapeutic Index Drugs"	[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C					8486	46509192	D00214	PA151917012		DNC000380	Dactinomycin	CHEMBL1554	3100
DB00970	Dactinomycin	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	9917336	"Alkorta I, Park C, Kong J, Garbisu C, Alberti M, Pon N, Hearst JE: Rhodobacter capsulatus DNA topoisomerase I purification and characterization. Arch Biochem Biophys. 1999 Feb 1;362(1):123-30. doi: 10.1006/abbi.1998.1023."	Approved; Investigational	Cyclic depsipeptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Depsipeptides	"Cytotoxic Antibiotics and Related Substances; Myelosuppressive Agents; Peptides, Cyclic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Protein Synthesis Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Actinomycines; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Actinomycin; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Immunosuppressive Agents; Narrow Therapeutic Index Drugs"	[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C					8486	46509192	D00214	PA151917012		DNC000380	Dactinomycin	CHEMBL1554	3100
DB00972	Azelastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2540229; 8829888; 9585822; 19209282; 17723160; 10478514	"Casale TB: The interaction of azelastine with human lung histamine H1, beta, and muscarinic receptor-binding sites. J Allergy Clin Immunol. 1989 Apr;83(4):771-6.@@Conde Hernandez DJ, Palma Aqilar JL, Delgado Romero J: Comparison of azelastine nasal spray and oral ebastine in treating seasonal allergic rhinitis. Curr Med Res Opin. 1995;13(6):299-304.@@Antepara I, Jauregui I, Basomba A, Cadahia A, Feo F, Garcia JJ, Gonzalo MA, Luna I, Rubio M, Vazquez M: [Investigation of the efficacy and tolerability of azelastine nasal spray versus ebastine tablets in patients with seasonal allergic rhinitis]. Allergol Immunopathol (Madr). 1998 Jan-Feb;26(1):9-16.@@Horak F: Effectiveness of twice daily azelastine nasal spray in patients with seasonal allergic rhinitis. Ther Clin Risk Manag. 2008 Oct;4(5):1009-22.@@Bernstein JA: Azelastine hydrochloride: a review of pharmacology, pharmacokinetics, clinical efficacy and tolerability. Curr Med Res Opin. 2007 Oct;23(10):2441-52.@@Golden SJ, Craig TJ: Efficacy and safety of azelastine nasal spray for the treatment of allergic rhinitis. J Am Osteopath Assoc. 1999 Jul;99(7 Suppl):S7-12."	Approved	Phthalazinones	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2B6 Inhibitors; Anti-Allergic Agents; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Respiratory System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP2C9 Substrates; Decongestants and Antiallergics; Ophthalmologicals; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs"	CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O		Azelastine H1-Antihistamine Action	drug_action		22525	46507582	D07483	PA448517		DNC000270	Azelastine	CHEMBL639	18603
DB00972	Azelastine	BE0000112	HRH2	P25021	HRH2_HUMAN	inhibitor	17723160; 20856595; 19209282	"Bernstein JA: Azelastine hydrochloride: a review of pharmacology, pharmacokinetics, clinical efficacy and tolerability. Curr Med Res Opin. 2007 Oct;23(10):2441-52.@@Williams PB, Crandall E, Sheppard JD: Azelastine hydrochloride, a dual-acting anti-inflammatory ophthalmic solution, for treatment of allergic conjunctivitis. Clin Ophthalmol. 2010 Sep 7;4:993-1001. doi: 10.2147/opth.s13479.@@Horak F: Effectiveness of twice daily azelastine nasal spray in patients with seasonal allergic rhinitis. Ther Clin Risk Manag. 2008 Oct;4(5):1009-22."	Approved	Phthalazinones	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2B6 Inhibitors; Anti-Allergic Agents; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Autonomic Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Respiratory System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP2C9 Substrates; Decongestants and Antiallergics; Ophthalmologicals; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Sensory Organs"	CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O		Azelastine H1-Antihistamine Action	drug_action		22525	46507582	D07483	PA448517		DNC000270	Azelastine	CHEMBL639	18603
DB00973	Ezetimibe	BE0000105	SOAT1	P35610	SOAT1_HUMAN	inhibitor	19669185; 20227438; 18442485	"Singh A, Basit A, Banerjee UC: Burkholderia cenocepacia: a new biocatalyst for efficient bioreduction of ezetimibe intermediate. J Ind Microbiol Biotechnol. 2009 Nov;36(11):1369-74. doi: 10.1007/s10295-009-0622-z. Epub 2009 Aug 8.@@Costet P: Molecular pathways and agents for lowering LDL-cholesterol in addition to statins. Pharmacol Ther. 2010 Jun;126(3):263-78. doi: 10.1016/j.pharmthera.2010.02.006. Epub 2010 Mar 19.@@Wang HH, Portincasa P, Mendez-Sanchez N, Uribe M, Wang DQ: Effect of ezetimibe on the prevention and dissolution of cholesterol gallstones. Gastroenterology. 2008 Jun;134(7):2101-10. doi: 10.1053/j.gastro.2008.03.011. Epub 2008 Mar 10."	Approved	Monobactams	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"UGT2B7 substrates; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Decreased Cholesterol Absorption; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticholesteremic Agents; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Dietary Cholesterol Absorption Inhibitor; Azetines"	[H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1					12754	46507625	D01966	PA10816		DAP000717	Ezetimibe	CHEMBL1138	341248
DB00973	Ezetimibe	BE0001078	ANPEP	P15144	AMPN_HUMAN	other	15494415	"Kramer W, Girbig F, Corsiero D, Pfenninger A, Frick W, Jahne G, Rhein M, Wendler W, Lottspeich F, Hochleitner EO, Orso E, Schmitz G: Aminopeptidase N (CD13) is a molecular target of the cholesterol absorption inhibitor ezetimibe in the enterocyte brush border membrane. J Biol Chem. 2005 Jan 14;280(2):1306-20. Epub 2004 Oct 19."	Approved	Monobactams	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"UGT2B7 substrates; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Decreased Cholesterol Absorption; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticholesteremic Agents; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; UGT1A1 Substrates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Dietary Cholesterol Absorption Inhibitor; Azetines"	[H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1					12754	46507625	D01966	PA10816		DAP000717	Ezetimibe	CHEMBL1138	341248
DB00975	Dipyridamole	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN	inhibitor	17139284; 17016423; 10373451	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fujishige K, Kotera J, Michibata H, Yuasa K, Takebayashi S, Okumura K, Omori K: Cloning and characterization of a novel human phosphodiesterase that hydrolyzes both cAMP and cGMP (PDE10A). J Biol Chem. 1999 Jun 25;274(26):18438-45."	Approved	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1		Dipyridamole (Antiplatelet) Action Pathway	drug_action		7219	46506292	D00302	PA449367		DNC001625	Dipyridamole	CHEMBL932	3521
DB00975	Dipyridamole	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	15672122; 16080974; 16886928; 17308037; 11752352	"Kulkarni SK, Patil CS: Phosphodiesterase 5 enzyme and its inhibitors: update on pharmacological and therapeutical aspects. Methods Find Exp Clin Pharmacol. 2004 Dec;26(10):789-99.@@Santini F, Casali G, Franchi G, Auriemma S, Lusini M, Barozzi L, Favaro A, Messina A, Mazzucco A: Hemodynamic effects of inhaled nitric oxide and phosphodiesterase inhibitor (dipyridamole) on secondary pulmonary hypertension following heart valve surgery in adults. Int J Cardiol. 2005 Aug 18;103(2):156-63.@@Kruuse C, Lassen LH, Iversen HK, Oestergaard S, Olesen J: Dipyridamole may induce migraine in patients with migraine without aura. Cephalalgia. 2006 Aug;26(8):925-33.@@Jackson EK, Ren J, Zacharia LC, Mi Z: Characterization of renal ecto-phosphodiesterase. J Pharmacol Exp Ther. 2007 May;321(2):810-5. Epub 2007 Feb 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1		Dipyridamole (Antiplatelet) Action Pathway	drug_action		7219	46506292	D00302	PA449367		DNC001625	Dipyridamole	CHEMBL932	3521
DB00975	Dipyridamole	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1		Dipyridamole (Antiplatelet) Action Pathway	drug_action		7219	46506292	D00302	PA449367		DNC001625	Dipyridamole	CHEMBL932	3521
DB00975	Dipyridamole	BE0002214	ADA	P00813	ADA_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1		Dipyridamole (Antiplatelet) Action Pathway	drug_action		7219	46506292	D00302	PA449367		DNC001625	Dipyridamole	CHEMBL932	3521
DB00975	Dipyridamole	BE0009008	RCAN1	P53805	RCAN1_HUMAN		19189965	"Mulero MC, Aubareda A, Orzaez M, Messeguer J, Serrano-Candelas E, Martinez-Hoyer S, Messeguer A, Perez-Paya E, Perez-Riba M: Inhibiting the calcineurin-NFAT (nuclear factor of activated T cells) signaling pathway with a regulator of calcineurin-derived peptide without affecting general calcineurin phosphatase activity. J Biol Chem. 2009 Apr 3;284(14):9394-401. doi: 10.1074/jbc.M805889200. Epub 2009  Feb 3."	Approved	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Anticoagulants; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; P-glycoprotein substrates; Antiplatelet agents; P-glycoprotein inhibitors; OATP1B3 inhibitors; Blood and Blood Forming Organs; Vasodilating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; BSEP/ABCB11 Substrates; Decreased Platelet Aggregation; Hematologic Agents; Pyrimidines; Phosphodiesterase 5 Inhibitors	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1		Dipyridamole (Antiplatelet) Action Pathway	drug_action		7219	46506292	D00302	PA449367		DNC001625	Dipyridamole	CHEMBL932	3521
DB00977	Ethinylestradiol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17095591; 17124377; 17125913; 17138652; 17142999; 19237207; 19434891; 11752352	"Micevych PE, Chaban V, Ogi J, Dewing P, Lu JK, Sinchak K: Estradiol stimulates progesterone synthesis in hypothalamic astrocyte cultures. Endocrinology. 2007 Feb;148(2):782-9. Epub 2006 Nov 9.@@Garcia-Segura LM, Sanz A, Mendez P: Cross-talk between IGF-I and estradiol in the brain: focus on neuroprotection. Neuroendocrinology. 2006;84(4):275-9. Epub 2006 Nov 23.@@Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Mukai H, Tsurugizawa T, Ogiue-Ikeda M, Murakami G, Hojo Y, Ishii H, Kimoto T, Kawato S: Local neurosteroid production in the hippocampus: influence on synaptic plasticity of memory. Neuroendocrinology. 2006;84(4):255-63. Epub 2006 Dec 1.@@Notch EG, Mayer GD: 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8. doi: 10.1016/j.aquatox.2009.01.001. Epub  2009 Jan 23.@@Bennink HJ: Reprint of Are all estrogens the same? Maturitas. 2008 Sep-Oct;61(1-2):195-201.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; UGT1A1 Inducers; BSEP/ABCB11 inducers; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Hormones; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Gonadal Steroid Hormones; Endocrine Therapy; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; Estrogens; Hormones and Related Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7426	46508618	D00554	PA449527		DAP001018	Ethinylestradiol	CHEMBL691	4124
DB00977	Ethinylestradiol	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; UGT1A1 Inducers; BSEP/ABCB11 inducers; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Hormones; Norpregnanes; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Contraceptives, Postcoital; COMT Substrates; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Contraceptives, Oral, Hormonal; Antineoplastic and Immunomodulating Agents; Contraceptives, Oral; Gonadal Steroid Hormones; Endocrine Therapy; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A4 substrates; BSEP/ABCB11 Inhibitors; Estrogens; Hormones and Related Agents; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7426	46508618	D00554	PA449527		DAP001018	Ethinylestradiol	CHEMBL691	4124
DB00980	Ramelteon	BE0000327	MTNR1B	P49286	MTR1B_HUMAN	multitarget	15695169; 16432265; 17389558; 16173650; 16730121; 15869323; 19228178; 19768947; 19568703; 17157111; 17015817; 17803013; 11752352	"Kato K, Hirai K, Nishiyama K, Uchikawa O, Fukatsu K, Ohkawa S, Kawamata Y, Hinuma S, Miyamoto M: Neurochemical properties of ramelteon (TAK-375), a selective MT1/MT2 receptor agonist. Neuropharmacology. 2005 Feb;48(2):301-10.@@Karim A, Tolbert D, Cao C: Disposition kinetics and tolerance of escalating single doses of ramelteon, a high-affinity MT1 and MT2 melatonin receptor agonist indicated for treatment of insomnia. J Clin Pharmacol. 2006 Feb;46(2):140-8.@@Greenblatt DJ, Harmatz JS, Karim A: Age and gender effects on the pharmacokinetics and pharmacodynamics of ramelteon, a hypnotic agent acting via melatonin receptors MT1 and MT2. J Clin Pharmacol. 2007 Apr;47(4):485-96.@@Roth T, Stubbs C, Walsh JK: Ramelteon (TAK-375), a selective MT1/MT2-receptor agonist, reduces latency to persistent sleep in a model of transient insomnia related to a novel sleep environment. Sleep. 2005 Mar;28(3):303-7.@@Miyamoto M: Effect of ramelteon (TAK-375), a selective MT1/MT2 receptor agonist, on motor performance in mice. Neurosci Lett. 2006 Jul 24;402(3):201-4. Epub 2006 May 24.@@Authors unspecified: Ramelteon: TAK 375. Drugs R D. 2005;6(3):186-8.@@Miyamoto M: Pharmacology of ramelteon, a selective MT1/MT2 receptor agonist: a novel therapeutic drug for sleep disorders. CNS Neurosci Ther. 2009 Winter;15(1):32-51. doi: 10.1111/j.1755-5949.2008.00066.x.@@Miyamoto M: [A novel therapeutic drug: ramelteon]. Nihon Rinsho. 2009 Aug;67(8):1595-600.@@Pandi-Perumal SR, Srinivasan V, Spence DW, Moscovitch A, Hardeland R, Brown GM, Cardinali DP: Ramelteon: a review of its therapeutic potential in sleep disorders. Adv Ther. 2009 Jun;26(6):613-26. doi: 10.1007/s12325-009-0041-6. Epub 2009 Jun 30.@@Borja NL, Daniel KL: Ramelteon for the treatment of insomnia. Clin Ther. 2006 Oct;28(10):1540-55.@@Johnson MW, Suess PE, Griffiths RR: Ramelteon: a novel hypnotic lacking abuse liability and sedative adverse effects. Arch Gen Psychiatry. 2006 Oct;63(10):1149-57.@@Zammit G, Erman M, Wang-Weigand S, Sainati S, Zhang J, Roth T: Evaluation of the efficacy and safety of ramelteon in subjects with chronic insomnia. J Clin Sleep Med. 2007 Aug 15;3(5):495-504.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indanes	Organic compounds; Benzenoids; Indanes	Melatonin Receptor Agonists; Cytochrome P-450 CYP2C9 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates	CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2						46505923		PA164744896		DAP000070	Ramelteon	CHEMBL1218	596205
DB00980	Ramelteon	BE0000515	MTNR1A	P48039	MTR1A_HUMAN	multitarget	15695169; 16432265; 17389558; 16173650; 16730121; 15869323; 19228178; 19768947; 19568703; 17157111; 17015817; 17803013; 11752352	"Kato K, Hirai K, Nishiyama K, Uchikawa O, Fukatsu K, Ohkawa S, Kawamata Y, Hinuma S, Miyamoto M: Neurochemical properties of ramelteon (TAK-375), a selective MT1/MT2 receptor agonist. Neuropharmacology. 2005 Feb;48(2):301-10.@@Karim A, Tolbert D, Cao C: Disposition kinetics and tolerance of escalating single doses of ramelteon, a high-affinity MT1 and MT2 melatonin receptor agonist indicated for treatment of insomnia. J Clin Pharmacol. 2006 Feb;46(2):140-8.@@Greenblatt DJ, Harmatz JS, Karim A: Age and gender effects on the pharmacokinetics and pharmacodynamics of ramelteon, a hypnotic agent acting via melatonin receptors MT1 and MT2. J Clin Pharmacol. 2007 Apr;47(4):485-96.@@Roth T, Stubbs C, Walsh JK: Ramelteon (TAK-375), a selective MT1/MT2-receptor agonist, reduces latency to persistent sleep in a model of transient insomnia related to a novel sleep environment. Sleep. 2005 Mar;28(3):303-7.@@Miyamoto M: Effect of ramelteon (TAK-375), a selective MT1/MT2 receptor agonist, on motor performance in mice. Neurosci Lett. 2006 Jul 24;402(3):201-4. Epub 2006 May 24.@@Authors unspecified: Ramelteon: TAK 375. Drugs R D. 2005;6(3):186-8.@@Miyamoto M: Pharmacology of ramelteon, a selective MT1/MT2 receptor agonist: a novel therapeutic drug for sleep disorders. CNS Neurosci Ther. 2009 Winter;15(1):32-51. doi: 10.1111/j.1755-5949.2008.00066.x.@@Miyamoto M: [A novel therapeutic drug: ramelteon]. Nihon Rinsho. 2009 Aug;67(8):1595-600.@@Pandi-Perumal SR, Srinivasan V, Spence DW, Moscovitch A, Hardeland R, Brown GM, Cardinali DP: Ramelteon: a review of its therapeutic potential in sleep disorders. Adv Ther. 2009 Jun;26(6):613-26. doi: 10.1007/s12325-009-0041-6. Epub 2009 Jun 30.@@Borja NL, Daniel KL: Ramelteon for the treatment of insomnia. Clin Ther. 2006 Oct;28(10):1540-55.@@Johnson MW, Suess PE, Griffiths RR: Ramelteon: a novel hypnotic lacking abuse liability and sedative adverse effects. Arch Gen Psychiatry. 2006 Oct;63(10):1149-57.@@Zammit G, Erman M, Wang-Weigand S, Sainati S, Zhang J, Roth T: Evaluation of the efficacy and safety of ramelteon in subjects with chronic insomnia. J Clin Sleep Med. 2007 Aug 15;3(5):495-504.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indanes	Organic compounds; Benzenoids; Indanes	Melatonin Receptor Agonists; Cytochrome P-450 CYP2C9 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates	CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2						46505923		PA164744896		DAP000070	Ramelteon	CHEMBL1218	596205
DB00981	Physostigmine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved; Investigational	Pyrroloindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles	"Enzyme Inhibitors; Indolizidines; Miotics; Cholinergic Agents; Indoles; Autonomic Agents; Carbamates; Alkaloids; Phenylcarbamates; Antiglaucoma Preparations and Miotics; Parasympathomimetics; Heterocyclic Compounds, Fused-Ring; Antidotes; Indole Alkaloids; Acids, Acyclic; Peripheral Nervous System Agents; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Indolizines; Sensory Organs"	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C					10016	46506998	D00196	PA450957		DAP000561	Physostigmine	CHEMBL94	8299
DB00981	Physostigmine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved; Investigational	Pyrroloindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles	"Enzyme Inhibitors; Indolizidines; Miotics; Cholinergic Agents; Indoles; Autonomic Agents; Carbamates; Alkaloids; Phenylcarbamates; Antiglaucoma Preparations and Miotics; Parasympathomimetics; Heterocyclic Compounds, Fused-Ring; Antidotes; Indole Alkaloids; Acids, Acyclic; Peripheral Nervous System Agents; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Indolizines; Sensory Organs"	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C					10016	46506998	D00196	PA450957		DAP000561	Physostigmine	CHEMBL94	8299
DB00982	Isotretinoin	BE0000144	RARG	P13631	RARG_HUMAN		20436884	Layton A: The use of isotretinoin in acne. Dermatoendocrinol. 2009 May;1(3):162-9. doi: 10.4161/derm.1.3.9364.	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Noxae; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Drugs that are Mainly Renally Excreted; Cyclohexanes; Pigments, Biological; Terpenes; Agents Causing Muscle Toxicity; Biological Factors; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Anti-Acne Preparations for Systemic Use; Retinoids; Polyenes; Retinoids for Treatment of Acne; Teratogens; Retinoids for Topical Use in Acne; Toxic Actions; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O					5044	46508729	D00348	PA450128		DAP000009	Isotretinoin	CHEMBL547	6064
DB00982	Isotretinoin	BE0000663	RARA	P10276	RARA_HUMAN	other/unknown	10955779; 16983322; 9691099; 7601910; 9204085	"Dahl AR, Grossi IM, Houchens DP, Scovell LJ, Placke ME, Imondi AR, Stoner GD, De Luca LM, Wang D, Mulshine JL: Inhaled isotretinoin (13-cis retinoic acid) is an effective lung cancer chemopreventive agent in A/J mice at low doses: a pilot study. Clin Cancer Res. 2000 Aug;6(8):3015-24.@@Zouboulis CC: Isotretinoin revisited: pluripotent effects on human sebaceous gland cells. J Invest Dermatol. 2006 Oct;126(10):2154-6.@@Vu-Dac N, Gervois P, Torra IP, Fruchart JC, Kosykh V, Kooistra T, Princen HM, Dallongeville J, Staels B: Retinoids increase human apo C-III expression at the transcriptional level via the retinoid X receptor. Contribution to the hypertriglyceridemic action of retinoids. J Clin Invest. 1998 Aug 1;102(3):625-32.@@Taylor LE, Bennett GD, Finnell RH: Altered gene expression in murine branchial arches following in utero exposure to retinoic acid. J Craniofac Genet Dev Biol. 1995 Jan-Mar;15(1):13-25.@@Shroot B, Michel S: Pharmacology and chemistry of adapalene. J Am Acad Dermatol. 1997 Jun;36(6 Pt 2):S96-103."	Approved	Retinoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids	"Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Noxae; Anti-Acne Preparations; Hydrocarbons, Acyclic; Cyclohexenes; Alkenes; Cycloparaffins; Cytochrome P-450 Substrates; Photosensitizing Agents; Misc. Skin and Mucous Membrane Agents; Drugs that are Mainly Renally Excreted; Cyclohexanes; Pigments, Biological; Terpenes; Agents Causing Muscle Toxicity; Biological Factors; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Anti-Acne Preparations for Systemic Use; Retinoids; Polyenes; Retinoids for Treatment of Acne; Teratogens; Retinoids for Topical Use in Acne; Toxic Actions; Carotenoids"	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O					5044	46508729	D00348	PA450128		DAP000009	Isotretinoin	CHEMBL547	6064
DB00985	Dimenhydrinate	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 11835984	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Halpert AG, Olmstead MC, Beninger RJ: Mechanisms and abuse liability of the anti-histamine dimenhydrinate. Neurosci Biobehav Rev. 2002 Jan;26(1):61-7."	Approved			"Purines; QTc Prolonging Agents; Amines; Aminoalkyl Ethers; Histamine H1 Antagonists; Benzene Derivatives; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Histamine Antagonists; Alkaloids; Heterocyclic Compounds, Fused-Ring; Purinones; Peripheral Nervous System Agents; Pharmaceutical Preparations; Central Nervous System Agents; Neurotransmitter Agents; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Histamine Agents; Moderate Risk QTc-Prolonging Agents"	CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1					9782	46504881	D00520	PA449338		DAP000333	Dimenhydrinate	CHEMBL1200406	3444
DB00986	Glycopyrronium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	10385241	"Haddad EB, Patel H, Keeling JE, Yacoub MH, Barnes PJ, Belvisi MG: Pharmacological characterization of the muscarinic receptor antagonist, glycopyrrolate, in human and guinea-pig airways. Br J Pharmacol. 1999 May;127(2):413-20."	Approved; Investigational; Vet_approved			"MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1					21481	46509133	D00540	PA164754882		DAP001116	Glycopyrronium_bromide	CHEMBL1201335	1546438
DB00986	Glycopyrronium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	10385241	"Haddad EB, Patel H, Keeling JE, Yacoub MH, Barnes PJ, Belvisi MG: Pharmacological characterization of the muscarinic receptor antagonist, glycopyrrolate, in human and guinea-pig airways. Br J Pharmacol. 1999 May;127(2):413-20."	Approved; Investigational; Vet_approved			"MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1					21481	46509133	D00540	PA164754882		DAP001116	Glycopyrronium_bromide	CHEMBL1201335	1546438
DB00986	Glycopyrronium	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist			Approved; Investigational; Vet_approved			"MATE 1 Substrates; Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Agents producing tachycardia; Cholinergic Agents; OCT2 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Drugs for Obstructive Airway Diseases; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Onium Compounds; Antihidrotics; Adrenergics, Inhalants; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Antimuscarinics Antispasmodics; Adjuvants, Anesthesia; Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Ammonium Compounds; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1					21481	46509133	D00540	PA164754882		DAP001116	Glycopyrronium_bromide	CHEMBL1201335	1546438
DB00987	Cytarabine	BE0000113	POLB	P06746	DPOLB_HUMAN	inhibitor	16866189; 15011952; 19372559	"Angeli JP, Ribeiro LR, Bellini MF, Mantovanil: Anti-clastogenic effect of beta-glucan extracted from barley towards chemically induced DNA damage in rodent cells. Hum Exp Toxicol. 2006 Jun;25(6):319-24.@@Miura S, Izuta S: DNA polymerases as targets of anticancer nucleosides. Curr Drug Targets. 2004 Feb;5(2):191-5.@@Krynetskaia NF, Phadke MS, Jadhav SH, Krynetskiy EY: Chromatin-associated proteins HMGB1/2 and PDIA3 trigger cellular response to chemotherapy-induced DNA damage. Mol Cancer Ther. 2009 Apr;8(4):864-72. doi: 10.1158/1535-7163.MCT-08-0695."	Approved; Investigational	Pyrimidine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides"	"Myelosuppressive Agents; Nucleosides; Antimetabolites; Cytochrome P-450 CYP3A Substrates; Noxae; OCT1 substrates; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Immunologic Factors; Arabinonucleosides; Antineoplastic Agents; Pyrimidine Analogues; Agents Causing Muscle Toxicity; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					2953	46505879	D00168	PA449177		DNC001551	Cytarabine	CHEMBL803	3041
DB00988	Dopamine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	17301410; 11752352	"Ostadali MR, Ahangari G, Eslami MB, Razavi A, Zarrindast MR, Ahmadkhaniha HR, Boulhari J: The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	17301410	"Ostadali MR, Ahangari G, Eslami MB, Razavi A, Zarrindast MR, Ahmadkhaniha HR, Boulhari J: The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inducer	17301410	"Ostadali MR, Ahangari G, Eslami MB, Razavi A, Zarrindast MR, Ahmadkhaniha HR, Boulhari J: The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0000650	HTR7	P34969	5HT7R_HUMAN	binder	8398139; 8394362	"Lovenberg TW, Baron BM, de Lecea L, Miller JD, Prosser RA, Rea MA, Foye PE, Racke M, Slone AL, Siegel BW, et al.: A novel adenylyl cyclase-activating serotonin receptor (5-HT7) implicated in the regulation of mammalian circadian rhythms. Neuron. 1993 Sep;11(3):449-58.@@Shen Y, Monsma FJ Jr, Metcalf MA, Jose PA, Hamblin MW, Sibley DR: Molecular cloning and expression of a 5-hydroxytryptamine7 serotonin receptor subtype. J Biol Chem. 1993 Aug 25;268(24):18200-4."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11071707	"Rothman RB, Baumann MH, Dersch CM, Romero DV, Rice KC, Carroll FI, Partilla JS: Amphetamine-type central nervous system stimulants release norepinephrine more potently than they release dopamine and serotonin. Synapse. 2001 Jan;39(1):32-41."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	11071707	"Rothman RB, Baumann MH, Dersch CM, Romero DV, Rice KC, Carroll FI, Partilla JS: Amphetamine-type central nervous system stimulants release norepinephrine more potently than they release dopamine and serotonin. Synapse. 2001 Jan;39(1):32-41."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0009583	HTR3B	O95264	5HT3B_HUMAN		17360702	"Rusch D, Musset B, Wulf H, Schuster A, Raines DE: Subunit-dependent modulation of the 5-hydroxytryptamine type 3 receptor open-close equilibrium by n-alcohols. J Pharmacol Exp Ther. 2007 Jun;321(3):1069-74. Epub 2007 Mar 7."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00988	Dopamine	BE0002390	SOD1	P00441	SODC_HUMAN		23612299	"Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750."	Approved	Catecholamines and derivatives	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic and Dopaminergic Agents; OCT2 Inhibitors; Amines; Biogenic Amines; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; OCT2 Substrates; OCT1 substrates; Cardiovascular Agents; Dopamine, metabolism; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Cardiotonic Agents; Agents that produce hypertension; COMT Substrates; Peripheral Nervous System Agents; Selective Beta 1-adrenergic Agonists; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Monoamine Oxidase A Substrates; Biogenic Monoamines; Neurotransmitter Agents; Sympathomimetics; Dopamine Agents"	NCCC1=CC(O)=C(O)C=C1		"Remifentanil Action Pathway; Hydrocodone Action Pathway; Sufentanil Action Pathway; Morphine Action Pathway; Fluoxetine Action Pathway; 3-Methylthiofentanyl Action Pathway; Benzocaine Action Pathway; Oxybuprocaine Action Pathway; Codeine Action Pathway; Alkaptonuria; Tyrosine Hydroxylase Deficiency; Ketobemidone  Action Pathway; Propoxyphene Action Pathway; Dihydromorphine Action Pathway; Nicotine Action Pathway; Proparacaine Action Pathway; Methadyl Acetate Action Pathway; Hawkinsinuria; Oxymorphone Action Pathway; Fentanyl Action Pathway; Dimethylthiambutene Action Pathway; Dopamine beta-Hydroxylase Deficiency; Lidocaine (Local Anaesthetic) Action Pathway; Monoamine Oxidase-A Deficiency (MAO-A); Aromatic L-Aminoacid Decarboxylase Deficiency; Hydromorphone Action Pathway; Tyrosinemia, Transient, of the Newborn; Anileridine Action Pathway; Bupivacaine Action Pathway; Dopamine Activation of Neurological Reward System"	signaling; disease; drug_action		2322	46506043	D07870	PA449396		DAP000212	Dopamine	CHEMBL59	3628
DB00989	Rivastigmine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	11752352; 11078030; 11139819; 19370562; 16437532; 19470293; 19420308; 19374459; 18671661; 18044073; 14587496; 12636181; 34269114	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Stahl SM: The new cholinesterase inhibitors for Alzheimer's disease, Part 1: their similarities are different. J Clin Psychiatry. 2000 Oct;61(10):710-1.@@Gottwald MD, Rozanski RI: Rivastigmine, a brain-region selective acetylcholinesterase inhibitor for treating Alzheimer's disease: review and current status. Expert Opin Investig Drugs. 1999 Oct;8(10):1673-1682.@@Birks J, Grimley Evans J, Iakovidou V, Tsolaki M, Holt FE: Rivastigmine for Alzheimer's disease. Cochrane Database Syst Rev. 2009 Apr 15;(2):CD001191. doi: 10.1002/14651858.CD001191.pub2.@@Birks J: Cholinesterase inhibitors for Alzheimer's disease. Cochrane Database Syst Rev. 2006 Jan 25;(1):CD005593.@@Naik RS, Hartmann J, Kiewert C, Duysen EG, Lockridge O, Klein J: Effects of rivastigmine and donepezil on brain acetylcholine levels in acetylcholinesterase-deficient mice. J Pharm Pharm Sci. 2009;12(1):79-85.@@Smith DA: Treatment of Alzheimer's disease in the long-term-care setting. Am J Health Syst Pharm. 2009 May 15;66(10):899-907. doi: 10.2146/ajhp070622.@@Bassil N, Grossberg GT: Novel regimens and delivery systems in the pharmacological treatment of Alzheimer's disease. CNS Drugs. 2009;23(4):293-307.@@Lalli S, Albanese A: Rivastigmine in Parkinson's disease dementia. Expert Rev Neurother. 2008 Aug;8(8):1181-8. doi: 10.1586/14737175.8.8.1181.@@Onor ML, Trevisiol M, Aguglia E: Rivastigmine in the treatment of Alzheimer's disease: an update. Clin Interv Aging. 2007;2(1):17-32.@@Farlow MR: Update on rivastigmine. Neurologist. 2003 Sep;9(5):230-4.@@Greig NH, Lahiri DK, Sambamurti K: Butyrylcholinesterase: an important new target in Alzheimer's disease therapy. Int Psychogeriatr. 2002;14 Suppl 1:77-91.@@Li S, Li AJ, Travers J, Xu T, Sakamuru S, Klumpp-Thomas C, Huang R, Xia M: Identification of Compounds for Butyrylcholinesterase Inhibition. SLAS Discov. 2021 Dec;26(10):1355-1364. doi: 10.1177/24725552211030897. Epub 2021 Jul 16."	Approved; Investigational	Phenoxy compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds	"Parasympathomemetic (Cholinergic) Agents; Central Nervous System Agents; Enzyme Inhibitors; Carbamates; Cholinesterase Inhibitors; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Acids, Acyclic; Phenylcarbamates; Cholinergic Agents; Protective Agents; Psychoanaleptics; Anti-Dementia Drugs; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C					11987	46507452	D03822	PA451262		DAP000149	Rivastigmine	CHEMBL636	183379
DB00990	Exemestane	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	11752352; 19930708; 19436613; 19337436; 19156139; 20360896; 18728707; 17020418; 15814851	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Koutras A, Giannopoulou E, Kritikou I, Antonacopoulou A, Evans TR, Papavassiliou AG, Kalofonos H: Antiproliferative effect of exemestane in lung cancer cells. Mol Cancer. 2009 Nov 24;8:109. doi: 10.1186/1476-4598-8-109.@@Robinson A: A review of the use of exemestane in early breast cancer. Ther Clin Risk Manag. 2009 Feb;5(1):91-8. Epub 2009 Mar 26.@@Untch M, Jackisch C: Exemestane in early breast cancer: a review. Ther Clin Risk Manag. 2008 Dec;4(6):1295-304.@@Barnadas A, Gil M, Gonzalez S, Tusquets I, Munoz M, Arcusa A, Prieto L, Margeli-Vila M, Moreno A: Exemestane as primary treatment of oestrogen receptor-positive breast cancer in postmenopausal women: a phase II trial. Br J Cancer. 2009 Feb 10;100(3):442-9. doi: 10.1038/sj.bjc.6604868. Epub 2009 Jan 20.@@Abrial C, Durando X, Mouret-Reynier MA, Thivat E, Bayet-Robert M, Nayl B, Dubray P, Pomel C, Chollet P, Penault-Llorca F: Role of neo-adjuvant hormonal therapy in the treatment of breast cancer: a review of clinical trials. Int J Gen Med. 2009 Jul 30;2:129-40.@@Nabholtz JM: Long-term safety of aromatase inhibitors in the treatment of breast cancer. Ther Clin Risk Manag. 2008 Feb;4(1):189-204.@@Brueggemeier RW: Update on the use of aromatase inhibitors in breast cancer. Expert Opin Pharmacother. 2006 Oct;7(14):1919-30.@@Brueggemeier RW, Hackett JC, Diaz-Cruz ES: Aromatase inhibitors in the treatment of breast cancer. Endocr Rev. 2005 May;26(3):331-45. Epub 2005 Apr 6."	Approved; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Estrogen Antagonists; Aromatase Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Androstanes; Steroid Synthesis Inhibitors; Hormone Antagonists; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C					12019	46508243	D00963	PA449563		DAP000625	Exemestane	CHEMBL1200374	258494
DB00994	Neomycin	BE0000509	CASR	P41180	CASR_HUMAN		17537980	"Molostvov G, James S, Fletcher S, Bennett J, Lehnert H, Bland R, Zehnder D: Extracellular calcium-sensing receptor is functionally expressed in human artery. Am J Physiol Renal Physiol. 2007 Sep;293(3):F946-55. Epub 2007 May 30."	Approved; Vet_approved			"Blood Substitutes and Perfusion Solutions; Ototoxic agents; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Irrigating Solutions; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Dermatologicals; Antiinfectives for Systemic Use; Antiinfectives and Antiseptics for Local Oral Treatment; Protein Synthesis Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Stomatological Preparations; Alimentary Tract and Metabolism; Otologicals; Ophthalmological and Otological Preparations; Intestinal Antiinfectives; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Throat Preparations; Blood and Blood Forming Organs; Antibacterials for Systemic Use; Neurotoxic agents; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Narrow Therapeutic Index Drugs; Aminoglycoside Antibacterials; Sensory Organs"						8636	46505525	D08260	PA450608		DAP000036	Neomycin		7299
DB00995	Auranofin	BE0001154	IKBKB	O14920	IKKB_HUMAN	inhibitor	12754408; 17034761	"Jeon KI, Byun MS, Jue DM: Gold compound auranofin inhibits IkappaB kinase (IKK) by modifying Cys-179 of IKKbeta subunit. Exp Mol Med. 2003 Apr 30;35(2):61-6.@@Youn HS, Lee JY, Saitoh SI, Miyake K, Hwang DH: Auranofin, as an anti-rheumatic gold compound, suppresses LPS-induced homodimerization of TLR4. Biochem Biophys Res Commun. 2006 Dec 1;350(4):866-71. Epub 2006 Sep 28."	Approved; Investigational	Tetracarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tetracarboxylic acids and derivatives	Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Compounds; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O					1898	46507010	D00237	PA448510		DAP000757	Auranofin	CHEMBL1366	1227
DB00996	Gabapentin	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	17067834; 18299583; 23435945	"Maneuf YP, Luo ZD, Lee K: alpha2delta and the mechanism of action of gabapentin in the treatment of pain. Semin Cell Dev Biol. 2006 Oct;17(5):565-70. Epub 2006 Sep 24.@@Hendrich J, Van Minh AT, Heblich F, Nieto-Rostro M, Watschinger K, Striessnig J, Wratten J, Davies A, Dolphin AC: Pharmacological disruption of calcium channel trafficking by the alpha2delta ligand gabapentin. Proc Natl Acad Sci U S A. 2008 Mar 4;105(9):3628-33. doi: 10.1073/pnas.0708930105. Epub 2008 Feb 25.@@Kukkar A, Bali A, Singh N, Jaggi AS: Implications and mechanism of action of gabapentin in neuropathic pain. Arch Pharm Res. 2013 Mar;36(3):237-51. doi: 10.1007/s12272-013-0057-y. Epub 2013 Feb 24."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00996	Gabapentin	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN	inhibitor	18299583; 23435945	"Hendrich J, Van Minh AT, Heblich F, Nieto-Rostro M, Watschinger K, Striessnig J, Wratten J, Davies A, Dolphin AC: Pharmacological disruption of calcium channel trafficking by the alpha2delta ligand gabapentin. Proc Natl Acad Sci U S A. 2008 Mar 4;105(9):3628-33. doi: 10.1073/pnas.0708930105. Epub 2008 Feb 25.@@Kukkar A, Bali A, Singh N, Jaggi AS: Implications and mechanism of action of gabapentin in neuropathic pain. Arch Pharm Res. 2013 Mar;36(3):237-51. doi: 10.1007/s12272-013-0057-y. Epub 2013 Feb 24."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00996	Gabapentin	BE0009351	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	16368827	"Cheng JK, Chen CC, Yang JR, Chiou LC: The antiallodynic action target of intrathecal gabapentin: Ca2+ channels, KATP channels or N-methyl-d-aspartic acid receptors? Anesth Analg. 2006 Jan;102(1):182-7."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00996	Gabapentin	BE0000013	ADORA1	P30542	AA1R_HUMAN	agonist	15572277; 26456872	"Zuchora B, Wielosz M, Urbanska EM: Adenosine A1 receptors and the anticonvulsant potential of drugs effective in the model of 3-nitropropionic acid-induced seizures in mice. Eur Neuropsychopharmacol. 2005 Jan;15(1):85-93.@@Martins DF, Prado MR, Daruge-Neto E, Batisti AP, Emer AA, Mazzardo-Martins L, Santos AR, Piovezan AP: Caffeine prevents antihyperalgesic effect of gabapentin in an animal model of CRPS-I: evidence for the involvement of spinal adenosine A1 receptor. J Peripher Nerv Syst. 2015 Dec;20(4):403-9. doi: 10.1111/jns.12149."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00996	Gabapentin	BE0002398	KCNQ3	O43525	KCNQ3_HUMAN	activator	30021858	"Manville RW, Abbott GW: Gabapentin Is a Potent Activator of KCNQ3 and KCNQ5 Potassium Channels. Mol Pharmacol. 2018 Oct;94(4):1155-1163. doi: 10.1124/mol.118.112953. Epub 2018 Jul 18."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00996	Gabapentin	BE0002400	KCNQ5	Q9NR82	KCNQ5_HUMAN	activator	30021858	"Manville RW, Abbott GW: Gabapentin Is a Potent Activator of KCNQ3 and KCNQ5 Potassium Channels. Mol Pharmacol. 2018 Oct;94(4):1155-1163. doi: 10.1124/mol.118.112953. Epub 2018 Jul 18."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Amines; Amino Acids, Peptides, and Proteins; Butyrates; Miscellaneous Anticonvulsants; Cycloparaffins; Central Nervous System Depressants; Photosensitizing Agents; Cyclohexanes; Amino Acids; Acids, Carbocyclic; Drugs causing inadvertant photosensitivity; Decreased Central Nervous System Disorganized Electrical Activity; Acids, Acyclic; Peripheral Nervous System Agents; Analgesics; Gabapentin and Prodrugs; Aminobutyrates; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cyclohexanecarboxylic Acids; Anticonvulsants; Gabapentinoids"	NCC1(CC(O)=O)CCCCC1					470	46506529	D00332	PA449720		DNC000670	Gabapentin	CHEMBL940	25480
DB00997	Doxorubicin	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	30391699	"Khalil OM, Gedawy EM, El-Malah AA, Adly ME: Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile. Bioorg Chem. 2019 Mar;83:262-276. doi: 10.1016/j.bioorg.2018.10.058. Epub 2018 Oct 30."	Approved; Investigational	Anthracyclines	Organic compounds; Phenylpropanoids and polyketides; Anthracyclines	"Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs"	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O		Doxorubicin Metabolism Pathway	drug_metabolism		2298	46507641	D03899	PA449412		DNC000163	Doxorubicin	CHEMBL53463	3639
DB00997	Doxorubicin	BE0002425	TOP2B	Q02880	TOP2B_HUMAN	inhibitor	30391699	"Khalil OM, Gedawy EM, El-Malah AA, Adly ME: Novel nalidixic acid derivatives targeting topoisomerase II enzyme; Design, synthesis, anticancer activity and effect on cell cycle profile. Bioorg Chem. 2019 Mar;83:262-276. doi: 10.1016/j.bioorg.2018.10.058. Epub 2018 Oct 30."	Approved; Investigational	Anthracyclines	Organic compounds; Phenylpropanoids and polyketides; Anthracyclines	"Cytotoxic Antibiotics and Related Substances; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Glycosides; Enzyme Inhibitors; Carbohydrates; Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Anthracyclines and Related Substances; BSEP/ABCB11 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Topoisomerase II Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Anthracyclines; Anthracycline Topoisomerase Inhibitor; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs"	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O		Doxorubicin Metabolism Pathway	drug_metabolism		2298	46507641	D03899	PA449412		DNC000163	Doxorubicin	CHEMBL53463	3639
DB00998	Frovatriptan	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	11752352; 11735616; 12028320; 11152011; 10883409; 15185063; 15311727; 9700983; 18360605; 15342617; 12028322	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Easthope SE, Goa KL: Frovatriptan. CNS Drugs. 2001;15(12):969-76; discussion 977-8.@@Comer MB: Pharmacology of the selective 5-HT(1B/1D) agonist frovatriptan. Headache. 2002 Apr;42 Suppl 2:S47-53.@@Tfelt-Hansen P, De Vries P, Saxena PR: Triptans in migraine: a comparative review of pharmacology, pharmacokinetics and efficacy. Drugs. 2000 Dec;60(6):1259-87.@@Deleu D, Hanssens Y: Current and emerging second-generation triptans in acute migraine therapy: a comparative review. J Clin Pharmacol. 2000 Jul;40(7):687-700.@@Jahnichen S, Radtke OA, Pertz HH: Involvement of 5-HT1B receptors in triptan-induced contractile responses in guinea-pig isolated iliac artery. Naunyn Schmiedebergs Arch Pharmacol. 2004 Jul;370(1):54-63. Epub 2004 Jun 8.@@Balbisi EA: Frovatriptan succinate, a 5-HT1B/1D receptor agonist for migraine. Int J Clin Pract. 2004 Jul;58(7):695-705.@@Parsons AA, Raval P, Smith S, Tilford N, King FD, Kaumann AJ, Hunter J: Effects of the novel high-affinity 5-HT(1B/1D)-receptor ligand frovatriptan in human isolated basilar and coronary arteries. J Cardiovasc Pharmacol. 1998 Aug;32(2):220-4.@@Balbisi EA: Frovatriptan: a review of pharmacology, pharmacokinetics and clinical potential in the treatment of menstrual migraine. Ther Clin Risk Manag. 2006 Sep;2(3):303-8.@@Elkind AH, Wade A, Ishkanian G: Pharmacokinetics of frovatriptan in adolescent migraineurs. J Clin Pharmacol. 2004 Oct;44(10):1158-65.@@Buchan P, Wade A, Ward C, Oliver SD, Stewart AJ, Freestone S: Frovatriptan: a review of drug-drug interactions. Headache. 2002 Apr;42 Suppl 2:S63-73."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Amines; Serotonin 1b Receptor Agonists; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Selective Serotonin Agonists; Triptans; Serotonin Modulators; Serotonin-1b and Serotonin-1d Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Serotonin 1d Receptor Agonists; Agents that produce hypertension; Migraine Disorders; Analgesics; Serotonin Agents; Selective Serotonin 5-HT1 Receptor Agonists; Antimigraine Preparations; Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O					13350	46506288	D07997	PA164754891		DAP000063	Frovatriptan	CHEMBL1279	228783
DB00999	Hydrochlorothiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	11752352; 16078592; 16172412; 9596079; 9038817; 12772080; 10894798	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ran XW, Wang C, Dai F, Jiang JJ, Tong NW, Li XJ, Liang JZ: [A case of Gitelman's syndrome presenting with severe hypocalcaemia and hypokalemic periodic paralysis]. Sichuan Da Xue Xue Bao Yi Xue Ban. 2005 Jul;36(4):583-7.@@Turner ST, Schwartz GL, Chapman AB, Boerwinkle E: WNK1 kinase polymorphism and blood pressure response to a thiazide diuretic. Hypertension. 2005 Oct;46(4):758-65. Epub 2005 Sep 19.@@Abuladze N, Yanagawa N, Lee I, Jo OD, Newman D, Hwang J, Uyemura K, Pushkin A, Modlin RL, Kurtz I: Peripheral blood mononuclear cells express mutated NCCT mRNA in Gitelman's syndrome: evidence for abnormal thiazide-sensitive NaCl cotransport. J Am Soc Nephrol. 1998 May;9(5):819-26.@@Barry EL, Gesek FA, Kaplan MR, Hebert SC, Friedman PA: Expression of the sodium-chloride cotransporter in osteoblast-like cells: effect of thiazide diuretics. Am J Physiol. 1997 Jan;272(1 Pt 1):C109-16.@@Kurschat C, Heering P, Grabensee B: [Gitelman's syndrome: an important differential diagnosis of hypokalemia]. Dtsch Med Wochenschr. 2003 May 30;128(22):1225-8.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"QTc Prolonging Agents; Low-Ceiling Diuretics and Potassium-Sparing Agents; OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1		Hydrochlorothiazide Action Pathway	drug_action		10234	46504440	D00340	PA449899		DAP000750	Hydrochlorothiazide	CHEMBL435	5487
DB00999	Hydrochlorothiazide	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN	inhibitor	9856976	"Pickkers P, Hughes AD, Russel FG, Thien T, Smits P: Thiazide-induced vasodilation in humans is mediated by potassium channel activation. Hypertension. 1998 Dec;32(6):1071-6. doi: 10.1161/01.hyp.32.6.1071."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"QTc Prolonging Agents; Low-Ceiling Diuretics and Potassium-Sparing Agents; OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Sodium Chloride Symporter Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Non Potassium Sparing Diuretics; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1		Hydrochlorothiazide Action Pathway	drug_action		10234	46504440	D00340	PA449899		DAP000750	Hydrochlorothiazide	CHEMBL435	5487
DB01002	Levobupivacaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 16418020; 10969308; 11094008	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ueta K, Sugimoto M, Suzuki T, Uchida I, Mashimo T: In vitro antagonism of recombinant ligand-gated ion-channel receptors by stereospecific enantiomers of bupivacaine. Reg Anesth Pain Med. 2006 Jan-Feb;31(1):19-25.@@Vladimirov M, Nau C, Mok WM, Strichartz G: Potency of bupivacaine stereoisomers tested in vitro and in vivo: biochemical, electrophysiological, and neurobehavioral studies. Anesthesiology. 2000 Sep;93(3):744-55.@@Brau ME, Branitzki P, Olschewski A, Vogel W, Hempelmann G: Block of neuronal tetrodotoxin-resistant Na+ currents by stereoisomers of piperidine local anesthetics. Anesth Analg. 2000 Dec;91(6):1499-505."	Approved; Investigational	Piperidinecarboxamides	Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives	"Sensory System Agents; Amines; Cytochrome P-450 CYP3A Substrates; Amides; Neuraxial Anesthetics; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Anesthetics, Local; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Aniline Compounds; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C		Levobupivacaine Action Pathway	drug_action			46505295	D08116	PA164754741		DAP001233	Levobupivacaine	CHEMBL1201193	259453
DB01006	Letrozole	BE0002090	CYP19A1	P11511	CP19A_HUMAN	antagonist	11752352; 14505258; 15026471; 10388095	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ebert AD, Bartley J, David M, Schweppe KW: [Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis]. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.@@Long BJ, Jelovac D, Handratta V, Thiantanawat A, MacPherson N, Ragaz J, Goloubeva OG, Brodie AM: Therapeutic strategies using the aromatase inhibitor letrozole and tamoxifen in a breast cancer model. J Natl Cancer Inst. 2004 Mar 17;96(6):456-65.@@Murphy MJ Jr: Molecular Action and Clinical Relevance of Aromatase Inhibitors. Oncologist. 1998;3(2):129-130."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Estrogen Antagonists; Antineoplastic Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Aromatase Inhibitors; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Cytochrome P-450 CYP2C19 Inhibitors; Triazoles; Hormone Antagonists and Related Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N					11446	46504610	D00964	PA450196		DAP000626	Letrozole	CHEMBL1444	72965
DB01007	Tioconazole	BE0000875	CYP51A1	Q16850	CP51A_HUMAN	inhibitor	17139284; 17016423; 15625110; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fliri AF, Loging WT, Thadeio PF, Volkmann RA: Biological spectra analysis: Linking biological activity profiles to molecular structure. Proc Natl Acad Sci U S A. 2005 Jan 11;102(2):261-6. Epub 2004 Dec 29.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Antifungal Agents; 14-alpha Demethylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Imidazole and Triazole Derivatives; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Steroid Synthesis Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Gynecological Antiinfectives and Antiseptics; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1					1808	46508604	D00890	PA164746156		DAP001268	Tioconazole	CHEMBL1200438	38298
DB01010	Edrophonium	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	1438284; 9398183	"Harel M, Sussman JL, Krejci E, Bon S, Chanal P, Massoulie J, Silman I: Conversion of acetylcholinesterase to butyrylcholinesterase: modeling and mutagenesis. Proc Natl Acad Sci U S A. 1992 Nov 15;89(22):10827-31.@@Saxena A, Redman AM, Jiang X, Lockridge O, Doctor BP: Differences in active site gorge dimensions of cholinesterases revealed by binding of inhibitors to human butyrylcholinesterase. Biochemistry. 1997 Dec 2;36(48):14642-51."	Approved	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	"Phenylammonium Compounds; Quaternary Ammonium Compounds; Diagnostic Agents; Antidotes; Amines; Enzyme Inhibitors; Onium Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Protective Agents; Cholinergic Agents; Drugs that are Mainly Renally Excreted; Compounds used in a research, industrial, or household setting"	CC[N+](C)(C)C1=CC(O)=CC=C1					6289	46507530		PA449437		DAP000562	Edrophonium	CHEMBL1104	3752
DB01012	Cinacalcet	BE0000509	CASR	P41180	CASR_HUMAN	agonist	15794735; 15864123; 15884662; 16030053; 16109140; 19461861; 19261825; 19181759; 19056615; 11752352	"de Francisco AL: Cinacalcet HCl: a novel therapeutic for hyperparathyroidism. Expert Opin Pharmacother. 2005 Mar;6(3):441-52.@@Rothe HM, Shapiro WB, Sun WY, Chou SY: Calcium-sensing receptor gene polymorphism Arg990Gly and its possible effect on response to cinacalcet HCl. Pharmacogenet Genomics. 2005 Jan;15(1):29-34.@@Tasic V: Management of renal osteodystrophy in children. Turk J Pediatr. 2005;47 Suppl:13-8.@@Moe SM, Cunningham J, Bommer J, Adler S, Rosansky SJ, Urena-Torres P, Albizem MB, Guo MD, Zani VJ, Goodman WG, Sprague SM: Long-term treatment of secondary hyperparathyroidism with the calcimimetic cinacalcet HCl. Nephrol Dial Transplant. 2005 Oct;20(10):2186-93. Epub 2005 Jul 19.@@Cunningham J: Management of secondary hyperparathyroidism. Ther Apher Dial. 2005 Aug;9 Suppl 1:S35-40.@@Eriguchi R, Umakoshi J, Tominaga Y, Sato Y: Successful treatment of inoperable recurrent secondary hyperparathyroidism with cinacalcet HCl. NDT Plus. 2008 Aug;1(4):218-220. Epub 2008 May 25.@@Belozeroff V, Goodman WG, Ren L, Kalantar-Zadeh K: Cinacalcet lowers serum alkaline phosphatase in maintenance hemodialysis patients. Clin J Am Soc Nephrol. 2009 Mar;4(3):673-9. doi: 10.2215/CJN.03790808. Epub 2009  Mar 4.@@Meola M, Petrucci I, Barsotti G: Long-term treatment with cinacalcet and conventional therapy reduces parathyroid hyperplasia in severe secondary hyperparathyroidism. Nephrol Dial Transplant. 2009 Mar;24(3):982-9. doi: 10.1093/ndt/gfn654. Epub 2009 Jan 30.@@Drueke TB, Ritz E: Treatment of secondary hyperparathyroidism in CKD patients with cinacalcet and/or vitamin D derivatives. Clin J Am Soc Nephrol. 2009 Jan;4(1):234-41. doi: 10.2215/CJN.04520908. Epub 2008 Dec 3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	"Cytochrome P-450 CYP2D6 Inhibitors; Calcium-sensing Receptor Agonist; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Anti-Parathyroid Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2D6 Inhibitors (strong); Calcium Homeostasis; Cytochrome P-450 CYP3A4 Substrates; Increased Calcium-sensing Receptor Sensitivity; Naphthalenes; Other Miscellaneous Therapeutic Agents; Calcimimetic Agents; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12					13352	46506315	D03504	PA164776671		DAP000256	Cinacalcet	CHEMBL1201284	407990
DB01013	Clobetasol propionate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16255837; 9891987; 15634032	"Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Hofmann TG, Hehner SP, Bacher S, Droge W, Schmitz ML: Various glucocorticoids differ in their ability to induce gene expression, apoptosis and to repress NF-kappaB-dependent transcription. FEBS Lett. 1998 Dec 28;441(3):441-6.@@Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7558	46505670	D01272	PA164744375		DAP001183	Clobetasol_propionate	CHEMBL1159650	21245
DB01013	Clobetasol propionate	BE0000422	ANXA1	P04083	ANXA1_HUMAN	inducer	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7558	46505670	D01272	PA164744375		DAP001183	Clobetasol_propionate	CHEMBL1159650	21245
DB01013	Clobetasol propionate	BE0000668	NR3C2	P08235	MCR_HUMAN	agonist			Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7558	46505670	D01272	PA164744375		DAP001183	Clobetasol_propionate	CHEMBL1159650	21245
DB01014	Balsalazide	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	19708827; 20151072; 16939423; 18077625	"Tursi A: Balsalazide in treating colonic diseases. Expert Opin Drug Metab Toxicol. 2009 Dec;5(12):1555-63. doi: 10.1517/17425250903228842.@@Iacucci M, de Silva S, Ghosh S: Mesalazine in inflammatory bowel disease: a trendy topic once again? Can J Gastroenterol. 2010 Feb;24(2):127-33.@@Desreumaux P, Ghosh S: Review article: mode of action and delivery of 5-aminosalicylic acid - new evidence. Aliment Pharmacol Ther. 2006 Sep;24 Suppl 1:2-9.@@Linard C, Gremy O, Benderitter M: Reduction of peroxisome proliferation-activated receptor gamma expression by gamma-irradiation as a mechanism contributing to inflammatory response in rat colon: modulation by the 5-aminosalicylic acid agonist. J Pharmacol Exp Ther. 2008 Mar;324(3):911-20. Epub 2007 Dec 12."	Approved; Investigational	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Nephrotoxic agents; Hydroxybenzoates; Benzene Derivatives; Gastrointestinal Agents; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Phenols; Inflammatory Bowel Diseases; Prodrugs; Hydrazines; Salicylates; Alimentary Tract and Metabolism; Aminobenzoates; Aminosalicylate; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Aminosalicylic Acids; Acids, Carbocyclic; Colitis, Ulcerative; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Intestinal Antiinflammatory Agents; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); meta-Aminobenzoates"	OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O						46505592	D07488	PA448536		DAP000733	Balsalazide	CHEMBL1201346	18747
DB01016	Glyburide	BE0000469	ABCC9	O60706	ABCC9_HUMAN	modulator	12145099; 14672537; 15023854; 16845255; 17294036	"Hambrock A, Loffler-Walz C, Quast U: Glibenclamide binding to sulphonylurea receptor subtypes: dependence on adenine nucleotides. Br J Pharmacol. 2002 Aug;136(7):995-1004.@@Rainbow RD, James M, Hudman D, Al Johi M, Singh H, Watson PJ, Ashmole I, Davies NW, Lodwick D, Norman RI: Proximal C-terminal domain of sulphonylurea receptor 2A interacts with pore-forming Kir6 subunits in KATP channels. Biochem J. 2004 Apr 1;379(Pt 1):173-81.@@Felsch H, Lange U, Hambrock A, Loffler-Walz C, Russ U, Carroll WA, Gopalakrishnan M, Quast U: Interaction of a novel dihydropyridine K+ channel opener, A-312110, with recombinant sulphonylurea receptors and KATP channels: comparison with the cyanoguanidine P1075. Br J Pharmacol. 2004 Apr;141(7):1098-105. Epub 2004 Mar 15.@@Zhao JL, Yang YJ, You SJ, Jing ZC, Wu YJ, Cheng JL, Gao RL: Pretreatment with fosinopril or valsartan reduces myocardial no-reflow after acute myocardial infarction and reperfusion. Coron Artery Dis. 2006 Aug;17(5):463-9.@@Wang YH, Zheng HY, Qin NL, Yu SB, Liu SY: Involvement of ATP-sensitive potassium channels in proliferation and differentiation of rat preadipocytes. Sheng Li Xue Bao. 2007 Feb 25;59(1):8-12."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		Glibenclamide Action Pathway	drug_action		4007	46509154	D00336	PA449782		DAP000037	Glibenclamide	CHEMBL472	4815
DB01016	Glyburide	BE0000703	ABCB11	O95342	ABCBB_HUMAN	inhibitor	12404239; 15465654; 15618715	"Byrne JA, Strautnieks SS, Mieli-Vergani G, Higgins CF, Linton KJ, Thompson RJ: The human bile salt export pump: characterization of substrate specificity and identification of inhibitors. Gastroenterology. 2002 Nov;123(5):1649-58.@@Kemp DC, Brouwer KL: Viability assessment in sandwich-cultured rat hepatocytes after xenobiotic exposure. Toxicol In Vitro. 2004 Dec;18(6):869-77.@@Horikawa M, Kato Y, Tyson CA, Sugiyama Y: Potential cholestatic activity of various therapeutic agents assessed by bile canalicular membrane vesicles isolated from rats and humans. Drug Metab Pharmacokinet. 2003;18(1):16-22."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		Glibenclamide Action Pathway	drug_action		4007	46509154	D00336	PA449782		DAP000037	Glibenclamide	CHEMBL472	4815
DB01016	Glyburide	BE0000119	ABCA1	O95477	ABCA1_HUMAN	inhibitor	12426219; 14660039; 15039140; 15102890; 15905177; 19805629	"Reddy ST, Hama S, Ng C, Grijalva V, Navab M, Fogelman AM: ATP-binding cassette transporter 1 participates in LDL oxidation by artery wall cells. Arterioscler Thromb Vasc Biol. 2002 Nov 1;22(11):1877-83.@@Muhl H, Hofler S, Pfeilschifter J: Inhibition of lipopolysaccharide/ATP-induced release of interleukin-18 by KN-62 and glyburide. Eur J Pharmacol. 2003 Dec 15;482(1-3):325-8.@@Agassandian M, Mathur SN, Zhou J, Field FJ, Mallampalli RK: Oxysterols trigger ABCA1-mediated basolateral surfactant efflux. Am J Respir Cell Mol Biol. 2004 Aug;31(2):227-33. Epub 2004 Mar 23.@@Nieland TJ, Chroni A, Fitzgerald ML, Maliga Z, Zannis VI, Kirchhausen T, Krieger M: Cross-inhibition of SR-BI- and ABCA1-mediated cholesterol transport by the small molecules BLT-4 and glyburide. J Lipid Res. 2004 Jul;45(7):1256-65. Epub 2004 Apr 21.@@Alder-Baerens N, Muller P, Pohl A, Korte T, Hamon Y, Chimini G, Pomorski T, Herrmann A: Headgroup-specific exposure of phospholipids in ABCA1-expressing cells. J Biol Chem. 2005 Jul 15;280(28):26321-9. Epub 2005 May 19.@@Lamkanfi M, Mueller JL, Vitari AC, Misaghi S, Fedorova A, Deshayes K, Lee WP, Hoffman HM, Dixit VM: Glyburide inhibits the Cryopyrin/Nalp3 inflammasome. J Cell Biol. 2009 Oct 5;187(1):61-70. doi: 10.1083/jcb.200903124."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		Glibenclamide Action Pathway	drug_action		4007	46509154	D00336	PA449782		DAP000037	Glibenclamide	CHEMBL472	4815
DB01016	Glyburide	BE0000406	CPT1A	P50416	CPT1A_HUMAN	inhibitor	3090894; 3104327	Patel TB: Effect of sulfonylureas on hepatic fatty acid oxidation. Am J Physiol. 1986 Aug;251(2 Pt 1):E241-6.@@Cook GA: The hypoglycemic sulfonylureas glyburide and tolbutamide inhibit fatty acid oxidation by inhibiting carnitine palmitoyltransferase. J Biol Chem. 1987 Apr 15;262(11):4968-72.	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		Glibenclamide Action Pathway	drug_action		4007	46509154	D00336	PA449782		DAP000037	Glibenclamide	CHEMBL472	4815
DB01016	Glyburide	BE0001195	CFTR	P13569	CFTR_HUMAN	antagonist	12202948; 12391048; 12407077; 14729151; 15365090	"Reddy MM, Quinton PM: Effect of anion transport blockers on CFTR in the human sweat duct. J Membr Biol. 2002 Sep 1;189(1):15-25.@@Jiang J, Song Y, Bai C, Koller BH, Matthay MA, Verkman AS: Pleural surface fluorescence measurement of Na+ and Cl- transport across the air space-capillary barrier. J Appl Physiol (1985). 2003 Jan;94(1):343-52. Epub 2002 Aug 30.@@Zhou Z, Hu S, Hwang TC: Probing an open CFTR pore with organic anion blockers. J Gen Physiol. 2002 Nov;120(5):647-62.@@Larsen EH, Amstrup J, Willumsen NJ: Beta-adrenergic receptors couple to CFTR chloride channels of intercalated mitochondria-rich cells in the heterocellular toad skin epithelium. Biochim Biophys Acta. 2003 Dec 30;1618(2):140-52.@@Lee SY, Lee CO: Inhibition of Na+-K+ pump and L-type Ca2+ channel by glibenclamide in Guinea pig ventricular myocytes. J Pharmacol Exp Ther. 2005 Jan;312(1):61-8. Epub 2004 Sep 13."	Approved	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; BSEP/ABCB11 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1		Glibenclamide Action Pathway	drug_action		4007	46509154	D00336	PA449782		DAP000037	Glibenclamide	CHEMBL472	4815
DB01017	Minocycline	BE0009853	MAPK1	P45984	MK09_HUMAN	inhibitor	11986668	"Zhu S, Stavrovskaya IG, Drozda M, Kim BY, Ona V, Li M, Sarang S, Liu AS, Hartley DM, Wu DC, Gullans S, Ferrante RJ, Przedborski S, Kristal BS, Friedlander RM: Minocycline inhibits cytochrome c release and delays progression of amyotrophic lateral sclerosis in mice. Nature. 2002 May 2;417(6884):74-8."	Approved; Investigational	Tetracyclines	Organic compounds; Phenylpropanoids and polyketides; Tetracyclines	Anti-Acne Preparations for Topical Use; Agents that produce neuromuscular block (indirect); Naphthacenes; Anti-Bacterial Agents; Dermatologicals; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Anti-Acne Preparations; Antiinfectives and Antiseptics for Local Oral Treatment; Antiinfectives for Treatment of Acne; Photosensitizing Agents; Stomatological Preparations; Alimentary Tract and Metabolism; Agents Causing Muscle Toxicity; Drugs causing inadvertant photosensitivity; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Tetracyclines	[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2		Minocycline Action Pathway	drug_action		8646	46504772	D05045	PA450519		DAP000405	Minocycline	CHEMBL1434	6980
DB01019	Bethanechol	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	9224827; 32809422; 31985923	"Jakubik J, Bacakova L, El-Fakahany EE, Tucek S: Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9.@@Padda IS, Derian A: Bethanechol .@@Bui T, Duong H: Muscarinic Agonists ."	Approved	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds"	CC(C[N+](C)(C)C)OC(N)=O					5440	46507707		PA448613		DAP000263	Bethanechol	CHEMBL1482	19257
DB01019	Bethanechol	BE0000560	CHRM2	P08172	ACM2_HUMAN	agonist	17139284; 17016423; 17413603; 11798291; 16953191; 32809422	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Agrawal A, Hila A, Tutuian R, Mainie I, Castell DO: Bethanechol improves smooth muscle function in patients with severe ineffective esophageal motility. J Clin Gastroenterol. 2007 Apr;41(4):366-70.@@Buranakarl C, Kijtawornrat A, Angkanaporn K, Komolvanich S, Bovee KC: Effects of bethanechol on canine urinary bladder smooth muscle function. Res Vet Sci. 2001 Dec;71(3):175-81.@@Cruzblanca H: An M2-like muscarinic receptor enhances a delayed rectifier K+ current in rat sympathetic neurones. Br J Pharmacol. 2006 Oct;149(4):441-9. Epub 2006 Sep 4.@@Padda IS, Derian A: Bethanechol ."	Approved	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds"	CC(C[N+](C)(C)C)OC(N)=O					5440	46507707		PA448613		DAP000263	Bethanechol	CHEMBL1482	19257
DB01019	Bethanechol	BE0000247	CHRM5	P08912	ACM5_HUMAN	agonist	32809422	"Padda IS, Derian A: Bethanechol ."	Approved	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinergic Agents; Autonomic Agents; Carbamates; Choline Esters; Parasympathomimetics; Muscarinic Agonists; Onium Compounds; Acids, Acyclic; Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Neurotransmitter Agents; Ammonium Compounds; Nervous System; Bethanechol Compounds"	CC(C[N+](C)(C)C)OC(N)=O					5440	46507707		PA448613		DAP000263	Bethanechol	CHEMBL1482	19257
DB01020	Isosorbide mononitrate	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	activator	1852778; 20089135; 25446162	"Moncada S, Palmer RM, Higgs EA: Nitric oxide: physiology, pathophysiology, and pharmacology. Pharmacol Rev. 1991 Jun;43(2):109-42.@@Mancuso C, Navarra P, Preziosi P: Roles of nitric oxide, carbon monoxide, and hydrogen sulfide in the regulation of the hypothalamic-pituitary-adrenal axis. J Neurochem. 2010 May;113(3):563-75. doi: 10.1111/j.1471-4159.2010.06606.x. Epub  2010 Jan 20.@@Munzel T, Steven S, Daiber A: Organic nitrates: update on mechanisms underlying vasodilation, tolerance and endothelial dysfunction. Vascul Pharmacol. 2014 Dec;63(3):105-13. doi: 10.1016/j.vph.2014.09.002. Epub 2014 Oct 14."	Approved	Isosorbides	Organic compounds; Organoheterocyclic compounds; Furofurans; Isosorbides	Hypotensive Agents; Cardiovascular Agents; Nitric Oxide Donors; Sugar Alcohols; Vasodilators Used in Cardiac Diseases; Organic Nitrates; Cardiac Therapy; Vasodilation; Carbohydrates; Vasodilating Agents; Alcohols; Antianginal Agents; Delayed-Action Preparations; Nitrate Vasodilator; Drugs that are Mainly Renally Excreted; Methemoglobinemia Associated Agents; Nitrates and Nitrites	[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O					1298	46506594	D00630	PA450126		DAP001058	Isosorbide_mononitrate	CHEMBL1311	28004
DB01021	Trichlormethiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	17414671; 14610216; 20187262; 11752352	"Li J, Wang DH: Function and regulation of epithelial sodium transporters in the kidney of a salt-sensitive hypertensive rat model. J Hypertens. 2007 May;25(5):1065-72.@@Hasannejad H, Takeda M, Taki K, Shin HJ, Babu E, Jutabha P, Khamdang S, Aleboyeh M, Onozato ML, Tojo A, Enomoto A, Anzai N, Narikawa S, Huang XL, Niwa T, Endou H: Interactions of human organic anion transporters with diuretics. J Pharmacol Exp Ther. 2004 Mar;308(3):1021-9. Epub 2003 Nov 10.@@Smith SM: Thiazide diuretics. N Engl J Med. 2010 Feb 18;362(7):659-60; author reply 660.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl		Trichlormethiazide Action Pathway	drug_action		9580	46508880	D00658	PA164752426		DAP000035	Trichlormethiazide	CHEMBL1054	10772
DB01021	Trichlormethiazide	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	7752578	"Takahashi N, Kondo Y, Fujiwara I, Ito O, Igarashi Y, Abe K: Characterization of Na+ transport across the cell membranes of the ascending thin limb of Henle's loop. Kidney Int. 1995 Mar;47(3):789-94."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl		Trichlormethiazide Action Pathway	drug_action		9580	46508880	D00658	PA164752426		DAP000035	Trichlormethiazide	CHEMBL1054	10772
DB01021	Trichlormethiazide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	17139284; 17016423; 19119014	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl		Trichlormethiazide Action Pathway	drug_action		9580	46508880	D00658	PA164752426		DAP000035	Trichlormethiazide	CHEMBL1054	10772
DB01021	Trichlormethiazide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	17139284; 17016423; 19119014	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Comparison of chlorthalidone, indapamide, trichloromethiazide, and furosemide X-ray crystal structures in adducts with isozyme II, when several water molecules make the difference. Bioorg Med Chem. 2009 Feb 1;17(3):1214-21. doi: 10.1016/j.bmc.2008.12.023. Epub 2008 Dec 24."	Approved; Vet_approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Low-Ceiling Diuretics and Potassium-Sparing Agents; Sulfones; Sulfonamides; Diuretics; Antihypertensive Agents; Hyperglycemia-Associated Agents; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators; Thiazides"	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl		Trichlormethiazide Action Pathway	drug_action		9580	46508880	D00658	PA164752426		DAP000035	Trichlormethiazide	CHEMBL1054	10772
DB01023	Felodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 10525060; 17475903	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	11752352; 10525060; 17475903	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352; 10525060; 17475903	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	19029287	"Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN	inhibitor	1281221; 18974361	"Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0003565	PDE1A	P54750	PDE1A_HUMAN	inhibitor	2933041; 9231746	"Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43.@@Sharma RK, Wang JH, Wu Z: Mechanisms of inhibition of calmodulin-stimulated cyclic nucleotide phosphodiesterase by dihydropyridine calcium antagonists. J Neurochem. 1997 Aug;69(2):845-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01023	Felodipine	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	18250364	"Dietz JD, Du S, Bolten CW, Payne MA, Xia C, Blinn JR, Funder JW, Hu X: A number of marketed dihydropyridine calcium channel blockers have mineralocorticoid receptor antagonist activity. Hypertension. 2008 Mar;51(3):742-8. doi: 10.1161/HYPERTENSIONAHA.107.103580. Epub 2008 Feb 4."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01025	Amlexanox	BE0000689	FGF1	P05230	FGF1_HUMAN	inhibitor	16300395	"Rajalingam D, Kumar TK, Soldi R, Graziani I, Prudovsky I, Yu C: Molecular mechanism of inhibition of nonclassical FGF-1 export. Biochemistry. 2005 Nov 29;44(47):15472-9."	Approved; Investigational; Withdrawn	"Chromeno[2,3-b]pyridine-5-ones"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	Anti-Allergic Agents; Amines; Decreased Histamine Release; Drugs for Obstructive Airway Diseases; Stomatological Preparations; Ophthalmic Solutions; Alimentary Tract and Metabolism; Pyridines	CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1					12047	46504508	D01828	PA164745310		DAP000321	Amlexanox	CHEMBL1096	46307
DB01026	Ketoconazole	BE0000956	NR1I2	O75469	NR1I2_HUMAN	antagonist	17998298; 23525103	"Svecova L, Vrzal R, Burysek L, Anzenbacherova E, Cerveny L, Grim J, Trejtnar F, Kunes J, Pour M, Staud F, Anzenbacher P, Dvorak Z, Pavek P: Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug Metab Dispos. 2008 Feb;36(2):339-48. Epub 2007 Nov 12.@@Li H, Redinbo MR, Venkatesh M, Ekins S, Chaudhry A, Bloch N, Negassa A, Mukherjee P, Kalpana G, Mani S: Novel yeast-based strategy unveils antagonist binding regions on the nuclear xenobiotic receptor PXR. J Biol Chem. 2013 May 10;288(19):13655-68. doi: 10.1074/jbc.M113.455485. Epub 2013 Mar 22."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Imidazole Derivatives; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Piperazines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Dermatologicals; UGT1A1 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; 14-alpha Demethylase Inhibitors; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Antifungals for Dermatological Use; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Hepatotoxic Agents; UGT2B7 Inhibitors; Anticorticosteroids; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Gynecological Antiinfectives and Antiseptics; Antimycotics for Systemic Use; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1					1855	46506746	D00351	PA450146		DAP000630	Ketoconazole	CHEMBL157101	6135
DB01028	Methoxyflurane	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	17139284; 17016423; 7702639	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Martin DC, Plagenhoef M, Abraham J, Dennison RL, Aronstam RS: Volatile anesthetics and glutamate activation of N-methyl-D-aspartate receptors. Biochem Pharmacol. 1995 Mar 15;49(6):809-17."	Approved; Investigational; Vet_approved; Withdrawn	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates"	COC(F)(F)C(Cl)Cl					10032	46508879	D00544	PA450434		DAP000682	Methoxyflurane	CHEMBL1341	6857
DB01028	Methoxyflurane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	17139284; 17016423; 10683198	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Krasowski MD, Harrison NL: The actions of ether, alcohol and alkane general anaesthetics on GABAA and glycine receptors and the effects of TM2 and TM3 mutations. Br J Pharmacol. 2000 Feb;129(4):731-43."	Approved; Investigational; Vet_approved; Withdrawn	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates"	COC(F)(F)C(Cl)Cl					10032	46508879	D00544	PA450434		DAP000682	Methoxyflurane	CHEMBL1341	6857
DB01028	Methoxyflurane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Investigational; Vet_approved; Withdrawn	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates"	COC(F)(F)C(Cl)Cl					10032	46508879	D00544	PA450434		DAP000682	Methoxyflurane	CHEMBL1341	6857
DB01028	Methoxyflurane	BE0000218	ATP2C1	P98194	AT2C1_HUMAN	inhibitor	17139284; 17016423; 7499320	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45."	Approved; Investigational; Vet_approved; Withdrawn	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Ethyl Ethers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Miscellaneous Analgesics and Antipyretics; Nervous System; Anesthetics, Inhalation; Cytochrome P-450 CYP1A2 Substrates"	COC(F)(F)C(Cl)Cl					10032	46508879	D00544	PA450434		DAP000682	Methoxyflurane	CHEMBL1341	6857
DB01030	Topotecan	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	11166732; 11443926; 12437383; 12520736; 12855624; 11752352; 9885371; 8853931; 9122737	"Schmidt F, Rieger J, Wischhusen J, Naumann U, Weller M: Glioma cell sensitivity to topotecan: the role of p53 and topotecan-induced DNA damage. Eur J Pharmacol. 2001 Jan 19;412(1):21-5.@@strel'tsov SA, Mikheikin AL, Nechipurenko IuD: [Interaction of topotecan--a DNA topoisomerase I inhibitor--with dual-stranded polydeoxyribonucleotides. II. Formation of a complex containing several DNA molecules in the presence of topotecan]. Mol Biol (Mosk). 2001 May-Jun;35(3):442-50.@@Streltsov SA: Action models for the antitumor drug camptothecin: formation of alkali-labile complex with DNA and inhibition of human DNA topoisomerase I. J Biomol Struct Dyn. 2002 Dec;20(3):447-54.@@Zhang J, Pu SP, Zhou YJ: [Preliminary study of apoptosis of human hepatocarcinoma cell line HepG2 induced by topotecan]. Ai Zheng. 2002 Dec;21(12):1305-9.@@Aisner J, Musanti R, Beers S, Smith S, Locsin S, Rubin EH: Sequencing topotecan and etoposide plus cisplatin to overcome topoisomerase I and II resistance: a pharmacodynamically based Phase I trial. Clin Cancer Res. 2003 Jul;9(7):2504-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kollmannsberger C, Mross K, Jakob A, Kanz L, Bokemeyer C: Topotecan - A novel topoisomerase I inhibitor: pharmacology and clinical experience. Oncology. 1999;56(1):1-12.@@Herben VM, ten Bokkel Huinink WW, Beijnen JH: Clinical pharmacokinetics of topotecan. Clin Pharmacokinet. 1996 Aug;31(2):85-102.@@Dennis MJ, Beijnen JH, Grochow LB, van Warmerdam LJ: An overview of the clinical pharmacology of topotecan. Semin Oncol. 1997 Feb;24(1 Suppl 5):S5-12-S5-18."	Approved; Investigational	Camptothecins	Organic compounds; Alkaloids and derivatives; Camptothecins	MATE 1 Substrates; Myelosuppressive Agents; MATE 2 Substrates; Enzyme Inhibitors; Topoisomerase Inhibitors; Topoisomerase I Inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Topoisomerase 1 (TOP1) inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; MATE 2 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; MATE substrates	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O					11431	46505204	D08618	PA451729		DAP000648	Topotecan	CHEMBL84	57308
DB01031	Ethinamate	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	1460006	"Parr JS, Khalifah RG: Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50."	Approved; Illicit; Withdrawn	Ynones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Acids, Acyclic"	NC(=O)OC1(CCCCC1)C#C						46507468	D00703	PA164745394		DAP000606	Ethinamate	CHEMBL1576	24474
DB01032	Probenecid	BE0001066	SLC22A6	Q4U2R8	S22A6_HUMAN	inhibitor	11426832; 11669456; 12130730; 15377641; 11752352	"Takeda M, Narikawa S, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of organic anion transport inhibitors using cells stably expressing human organic anion transporters. Eur J Pharmacol. 2001 May 11;419(2-3):113-20.@@Jung KY, Takeda M, Kim DK, Tojo A, Narikawa S, Yoo BS, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of ochratoxin A transport by human organic anion transporters. Life Sci. 2001 Sep 21;69(18):2123-35.@@Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of methotrexate transport and its drug interactions with human organic anion transporters. J Pharmacol Exp Ther. 2002 Aug;302(2):666-71.@@Hashimoto T, Narikawa S, Huang XL, Minematsu T, Usui T, Kamimura H, Endou H: Characterization of the renal tubular transport of zonampanel, a novel alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid receptor antagonist, by human organic anion transporters. Drug Metab Dispos. 2004 Oct;32(10):1096-102.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OCT2 Inhibitors; Pharmaceutic Aids; Amides; Preparations Increasing Uric Acid Excretion; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 Enzyme Inducers; Sulfones; Adjuvants, Pharmaceutic; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Uricosuric Agents; Compounds used in a research, industrial, or household setting; Antigout Preparations; Cytochrome P-450 CYP2C8 Inducers (strength unknown); OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents"	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O					9108	46506554	D00475	PA451106		DAP001292	Probenecid	CHEMBL897	8698
DB01032	Probenecid	BE0000879	SLC22A11	Q9NSA0	S22AB_HUMAN	inhibitor	12023506; 12063169; 12130730; 15377641	"Enomoto A, Takeda M, Shimoda M, Narikawa S, Kobayashi Y, Kobayashi Y, Yamamoto T, Sekine T, Cha SH, Niwa T, Endou H: Interaction of human organic anion transporters 2 and 4 with organic anion transport inhibitors. J Pharmacol Exp Ther. 2002 Jun;301(3):797-802.@@Babu E, Takeda M, Narikawa S, Kobayashi Y, Enomoto A, Tojo A, Cha SH, Sekine T, Sakthisekaran D, Endou H: Role of human organic anion transporter 4 in the transport of ochratoxin A. Biochim Biophys Acta. 2002 Jun 12;1590(1-3):64-75.@@Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of methotrexate transport and its drug interactions with human organic anion transporters. J Pharmacol Exp Ther. 2002 Aug;302(2):666-71.@@Hashimoto T, Narikawa S, Huang XL, Minematsu T, Usui T, Kamimura H, Endou H: Characterization of the renal tubular transport of zonampanel, a novel alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid receptor antagonist, by human organic anion transporters. Drug Metab Dispos. 2004 Oct;32(10):1096-102."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OCT2 Inhibitors; Pharmaceutic Aids; Amides; Preparations Increasing Uric Acid Excretion; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 Enzyme Inducers; Sulfones; Adjuvants, Pharmaceutic; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Uricosuric Agents; Compounds used in a research, industrial, or household setting; Antigout Preparations; Cytochrome P-450 CYP2C8 Inducers (strength unknown); OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents"	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O					9108	46506554	D00475	PA451106		DAP001292	Probenecid	CHEMBL897	8698
DB01032	Probenecid	BE0003645	SLC22A8	Q8TCC7	S22A8_HUMAN	inhibitor	10224140; 11426832; 11669456; 12130730; 12488248; 10592235	"Kusuhara H, Sekine T, Utsunomiya-Tate N, Tsuda M, Kojima R, Cha SH, Sugiyama Y, Kanai Y, Endou H: Molecular cloning and characterization of a new multispecific organic anion transporter from rat brain. J Biol Chem. 1999 May 7;274(19):13675-80.@@Takeda M, Narikawa S, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of organic anion transport inhibitors using cells stably expressing human organic anion transporters. Eur J Pharmacol. 2001 May 11;419(2-3):113-20.@@Jung KY, Takeda M, Kim DK, Tojo A, Narikawa S, Yoo BS, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of ochratoxin A transport by human organic anion transporters. Life Sci. 2001 Sep 21;69(18):2123-35.@@Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of methotrexate transport and its drug interactions with human organic anion transporters. J Pharmacol Exp Ther. 2002 Aug;302(2):666-71.@@Sweet DH, Chan LM, Walden R, Yang XP, Miller DS, Pritchard JB: Organic anion transporter 3 (Slc22a8) is a dicarboxylate exchanger indirectly coupled to the Na+ gradient. Am J Physiol Renal Physiol. 2003 Apr;284(4):F763-9. Epub 2002 Dec 17.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"OCT2 Inhibitors; Pharmaceutic Aids; Amides; Preparations Increasing Uric Acid Excretion; OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 Enzyme Inducers; Sulfones; Adjuvants, Pharmaceutic; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Uricosuric Agents; Compounds used in a research, industrial, or household setting; Antigout Preparations; Cytochrome P-450 CYP2C8 Inducers (strength unknown); OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Antirheumatic Agents"	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O					9108	46506554	D00475	PA451106		DAP001292	Probenecid	CHEMBL897	8698
DB01033	Mercaptopurine	BE0000077	HPRT1	P00492	HPRT_HUMAN	inhibitor	15354273	"Dubinsky MC: Azathioprine, 6-mercaptopurine in inflammatory bowel disease: pharmacology, efficacy, and safety. Clin Gastroenterol Hepatol. 2004 Sep;2(9):731-43."	Approved	Purinethiones	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Noxae; Thiopurine Analogs; Immunologic Factors; Drugs for Obstructive Airway Diseases; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Xanthine derivatives; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Sulfur Compounds; Narrow Therapeutic Index Drugs; Toxic Actions; Sulfhydryl Compounds; Purine Analogues"	S=C1N=CNC2=C1NC=N2		Mercaptopurine Metabolism Pathway; Mercaptopurine Action Pathway; Thioguanine Action Pathway; Azathioprine Action Pathway; Azathioprine Metabolism Pathway	drug_metabolism; drug_action		11804	46506988	D04931	PA450379		DAP000147	Mercaptopurine	CHEMBL1425	103
DB01033	Mercaptopurine	BE0000374	PPAT	Q06203	PUR1_HUMAN	inhibitor	18506437; 21948594	"Sahasranaman S, Howard D, Roy S: Clinical pharmacology and pharmacogenetics of thiopurines. Eur J Clin Pharmacol. 2008 Aug;64(8):753-67. doi: 10.1007/s00228-008-0478-6. Epub 2008 May 28.@@Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP: ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7. doi: 10.1093/nar/gkr777.  Epub 2011 Sep 23."	Approved	Purinethiones	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Myelosuppressive Agents; Purines; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Antimetabolites; Noxae; Thiopurine Analogs; Immunologic Factors; Drugs for Obstructive Airway Diseases; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Xanthine derivatives; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Sulfur Compounds; Narrow Therapeutic Index Drugs; Toxic Actions; Sulfhydryl Compounds; Purine Analogues"	S=C1N=CNC2=C1NC=N2		Mercaptopurine Metabolism Pathway; Mercaptopurine Action Pathway; Thioguanine Action Pathway; Azathioprine Action Pathway; Azathioprine Metabolism Pathway	drug_metabolism; drug_action		11804	46506988	D04931	PA450379		DAP000147	Mercaptopurine	CHEMBL1425	103
DB01034	Cerulenin	BE0000959	FASN	P49327	FAS_HUMAN	inhibitor	10102370; 11245456; 12181752; 11752352; 20373869; 17168665; 15878185	"Oskouian B, Saba JD: YAP1 confers resistance to the fatty acid synthase inhibitor cerulenin through the transporter Flr1p in Saccharomyces cerevisiae. Mol Gen Genet. 1999 Mar;261(2):346-53.@@Li JN, Gorospe M, Chrest FJ, Kumaravel TS, Evans MK, Han WF, Pizer ES: Pharmacological inhibition of fatty acid synthase activity produces both cytostatic and cytotoxic effects modulated by p53. Cancer Res. 2001 Feb 15;61(4):1493-9.@@Heiligtag SJ, Bredehorst R, David KA: Key role of mitochondria in cerulenin-mediated apoptosis. Cell Death Differ. 2002 Sep;9(9):1017-25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Flavin R, Peluso S, Nguyen PL, Loda M: Fatty acid synthase as a potential therapeutic target in cancer. Future Oncol. 2010 Apr;6(4):551-62. doi: 10.2217/fon.10.11.@@Lupu R, Menendez JA: Pharmacological inhibitors of Fatty Acid Synthase (FASN)--catalyzed endogenous fatty acid biogenesis: a new family of anti-cancer agents? Curr Pharm Biotechnol. 2006 Dec;7(6):483-93.@@Ronnett GV, Kim EK, Landree LE, Tu Y: Fatty acid metabolism as a target for obesity treatment. Physiol Behav. 2005 May 19;85(1):25-35."	Experimental			Anti-Infective Agents; Antifungal Agents; Amides; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Lipid Regulating Agents	[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O						46508217		PA164764551		DAP000659	Cerulenin	CHEMBL45627	
DB01035	Procainamide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	11839626; 10662748; 11155778; 10443304; 11225790; 11752352	"Weiss R, Barmada MM, Nguyen T, Seibel JS, Cavlovich D, Kornblit CA, Angelilli A, Villanueva F, McNamara DM, London B: Clinical and molecular heterogeneity in the Brugada syndrome: a novel gene locus on chromosome 3. Circulation. 2002 Feb 12;105(6):707-13.@@Brugada R, Brugada J, Antzelevitch C, Kirsch GE, Potenza D, Towbin JA, Brugada P: Sodium channel blockers identify risk for sudden death in patients with ST-segment elevation and right bundle branch block but structurally normal hearts. Circulation. 2000 Feb 8;101(5):510-5.@@Chen SM, Kuo CT, Lin KH, Chiang FT: Brugada syndrome without mutation of the cardiac sodium channel gene in a Taiwanese patient. J Formos Med Assoc. 2000 Nov;99(11):860-2.@@Brugada J, Brugada R, Brugada P: [Brugada syndrome]. Arch Mal Coeur Vaiss. 1999 Jul;92(7):847-50.@@Brugada J, Brugada P, Brugada R: The syndrome of right bundle branch block ST segment elevation in V1 to V3 and sudden death--the Brugada syndrome. Europace. 1999 Jul;1(3):156-66.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; Sodium Channel Blockers; MATE 2 Substrates; Agents that produce neuromuscular block (indirect); OCT2 Inhibitors; QTc Prolonging Agents; Antiarrhythmics, Class Ia; Amides; Benzene Derivatives; MATE 1 Substrates with a Narrow Therapeutic Index; Cardiovascular Agents; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; OCT2 Substrates with a Narrow Therapeutic Index; Acids, Carbocyclic; para-Aminobenzoates; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; MATE 2 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Cholinesterase Inhibitors; OCT1 inhibitors; Antiarrhythmics, Class I; Narrow Therapeutic Index Drugs; MATE substrates"	CCN(CC)CCNC(=O)C1=CC=C(N)C=C1		Procainamide (Antiarrhythmic) Action Pathway	drug_action		9702	46507313		PA451108		DAP000516	Procainamide	CHEMBL640	8700
DB01035	Procainamide	BE0000892	DNMT1	P26358	DNMT1_HUMAN	other	15188362; 15795105; 16230360; 2066944	"Oelke K, Lu Q, Richardson D, Wu A, Deng C, Hanash S, Richardson B: Overexpression of CD70 and overstimulation of IgG synthesis by lupus T cells and T cells treated with DNA methylation inhibitors. Arthritis Rheum. 2004 Jun;50(6):1850-60.@@Januchowski R, Jagodzinski PP: Effect of 5-azacytidine and procainamide on CD3-zeta chain expression in Jurkat T cells. Biomed Pharmacother. 2005 Apr;59(3):122-6.@@Lee BH, Yegnasubramanian S, Lin X, Nelson WG: Procainamide is a specific inhibitor of DNA methyltransferase 1. J Biol Chem. 2005 Dec 9;280(49):40749-56. Epub 2005 Oct 17.@@Scheinbart LS, Johnson MA, Gross LA, Edelstein SR, Richardson BC: Procainamide inhibits DNA methyltransferase in a human T cell line. J Rheumatol. 1991 Apr;18(4):530-4."	Approved	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; Sodium Channel Blockers; MATE 2 Substrates; Agents that produce neuromuscular block (indirect); OCT2 Inhibitors; QTc Prolonging Agents; Antiarrhythmics, Class Ia; Amides; Benzene Derivatives; MATE 1 Substrates with a Narrow Therapeutic Index; Cardiovascular Agents; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Negative Inotrope; Membrane Transport Modulators; Aminobenzoates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; OCT2 Substrates with a Narrow Therapeutic Index; Acids, Carbocyclic; para-Aminobenzoates; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; MATE 2 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Cholinesterase Inhibitors; OCT1 inhibitors; Antiarrhythmics, Class I; Narrow Therapeutic Index Drugs; MATE substrates"	CCN(CC)CCNC(=O)C1=CC=C(N)C=C1		Procainamide (Antiarrhythmic) Action Pathway	drug_action		9702	46507313		PA451108		DAP000516	Procainamide	CHEMBL640	8700
DB01036	Tolterodine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11752352; 14769832; 19168050; 11193006	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Schneider T, Fetscher C, Krege S, Michel MC: Signal transduction underlying carbachol-induced contraction of human urinary bladder. J Pharmacol Exp Ther. 2004 Jun;309(3):1148-53. Epub 2004 Feb 9.@@McNamara A, Pulido-Rios MT, Sweazey S, Obedencio GP, Thibodeaux H, Renner T, Armstrong SR, Steinfeld T, Hughes AD, Wilson RD, Jasper JR, Mammen M, Hegde SS: Pharmacological properties of TD-6301, a novel bladder selective muscarinic receptor antagonist. Eur J Pharmacol. 2009 Mar 1;605(1-3):145-52. doi: 10.1016/j.ejphar.2008.12.043. Epub 2009 Jan 10.@@Sellers DJ, Yamanishi T, Chapple CR, Couldwell C, Yasuda K, Chess-Williams R: M3 muscarinic receptors but not M2 mediate contraction of the porcine detrusor muscle in vitro. J Auton Pharmacol. 2000 Jun;20(3):171-6."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C					20821	46508059	D00646	PA164746757		DAP000376	Tolterodine	CHEMBL1382	119565
DB01036	Tolterodine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	16188951; 14769832; 19168050; 11193006	"Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Schneider T, Fetscher C, Krege S, Michel MC: Signal transduction underlying carbachol-induced contraction of human urinary bladder. J Pharmacol Exp Ther. 2004 Jun;309(3):1148-53. Epub 2004 Feb 9.@@McNamara A, Pulido-Rios MT, Sweazey S, Obedencio GP, Thibodeaux H, Renner T, Armstrong SR, Steinfeld T, Hughes AD, Wilson RD, Jasper JR, Mammen M, Hegde SS: Pharmacological properties of TD-6301, a novel bladder selective muscarinic receptor antagonist. Eur J Pharmacol. 2009 Mar 1;605(1-3):145-52. doi: 10.1016/j.ejphar.2008.12.043. Epub 2009 Jan 10.@@Sellers DJ, Yamanishi T, Chapple CR, Couldwell C, Yasuda K, Chess-Williams R: M3 muscarinic receptors but not M2 mediate contraction of the porcine detrusor muscle in vitro. J Auton Pharmacol. 2000 Jun;20(3):171-6."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C					20821	46508059	D00646	PA164746757		DAP000376	Tolterodine	CHEMBL1382	119565
DB01036	Tolterodine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Amino Alcohols; Urological Agents; Cytochrome P-450 Substrates; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Cresols; Urologicals; Propanols; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Genitourinary Smooth Muscle Relaxants; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Benzhydryl Compounds	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C					20821	46508059	D00646	PA164746757		DAP000376	Tolterodine	CHEMBL1382	119565
DB01037	Selegiline	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	11752352; 1794016; 9673855; 12199263; 16034956; 6441926; 7995016; 11978145; 16641841; 17715422; 19300583; 17823646; 16099847	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Chrisp P, Mammen GJ, Sorkin EM: Selegiline. A review of its pharmacology, symptomatic benefits and protective potential in Parkinson's disease. Drugs Aging. 1991 May;1(3):228-48.@@Heinonen EH, Myllyla V: Safety of selegiline (deprenyl) in the treatment of Parkinson's disease. Drug Saf. 1998 Jul;19(1):11-22.@@Authors unspecified: Selegiline: a second look. Six years later: too risky in Parkinson's disease. Prescrire Int. 2002 Aug;11(60):108-11.@@Macleod AD, Counsell CE, Ives N, Stowe R: Monoamine oxidase B inhibitors for early Parkinson's disease. Cochrane Database Syst Rev. 2005 Jul 20;(3):CD004898.@@Magyar K, Tothfalusi L: Pharmacokinetic aspects of deprenyl effects. Pol J Pharmacol Pharm. 1984 Jul-Aug;36(4):373-84.@@Heinonen EH, Anttila MI, Lammintausta RA: Pharmacokinetic aspects of l-deprenyl (selegiline) and its metabolites. Clin Pharmacol Ther. 1994 Dec;56(6 Pt 2):742-9.@@Deleu D, Northway MG, Hanssens Y: Clinical pharmacokinetic and pharmacodynamic properties of drugs used in the treatment of Parkinson's disease. Clin Pharmacokinet. 2002;41(4):261-309.@@Patkar AA, Pae CU, Masand PS: Transdermal selegiline: the new generation of monoamine oxidase inhibitors. CNS Spectr. 2006 May;11(5):363-75.@@Azzaro AJ, Ziemniak J, Kemper E, Campbell BJ, VanDenBerg C: Pharmacokinetics and absolute bioavailability of selegiline following treatment of healthy subjects with the selegiline transdermal system (6 mg/24 h): a comparison with oral selegiline capsules. J Clin Pharmacol. 2007 Oct;47(10):1256-67. Epub 2007 Aug 22.@@Lee KC, Chen JJ: Transdermal selegiline for the treatment of major depressive disorder. Neuropsychiatr Dis Treat. 2007;3(5):527-37.@@Baker GB, Sowa B, Todd KG: Amine oxidases and their inhibitors: what can they tell us about neuroprotection and the development of drugs for neuropsychiatric disorders? J Psychiatry Neurosci. 2007 Sep;32(5):313-5.@@Andoh T, Chock PB, Murphy DL, Chiueh CC: Role of the redox protein thioredoxin in cytoprotective mechanism evoked by (-)-deprenyl. Mol Pharmacol. 2005 Nov;68(5):1408-14. doi: 10.1124/mol.105.012302. Epub 2005 Aug 12."	Approved; Investigational; Vet_approved	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Protective Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Monoamine Oxidase B Inhibitors; Antidepressive Agents; Neuroprotective Agents; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Phenethylamines; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Ethylamines; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	C[C@H](CC1=CC=CC=C1)N(C)CC#C					11337	46507655	D03731	PA451316		DAP000579	Selegiline	CHEMBL972	9639
DB01038	Carphenazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	4889058; 4887393; 4861216; 11752352	"Vinar O, Formankova M, Taussigova D, Ruzicka S: Carphenazine in the treatment of schizophrenic psychoses. Controlled clinical trial. Act Nerv Super (Praha). 1967 Nov;9(4):353-5.@@Bora G: Comparison of dosage ranges of carphenazine and trifluoperazine in elderly chronic schizophrenics. Dis Nerv Syst. 1968 Oct;29(10):695-7.@@Platz AR, Klett CJ, Caffey EM Jr: Selective drug action related to chronic schizophrenic subtype. (A comparative study of carphenazine, chlorpromazine, and trifluoperazine). Dis Nerv Syst. 1967 Sep;28(9):601-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Withdrawn	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	Dopamine D2 Receptor Antagonists; Dopamine Antagonists	CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1						46505936		PA164750571		DAP000846	Carfenazine	CHEMBL1201328	
DB01039	Fenofibrate	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	10494028; 10799317; 11018525; 11342537; 11474486; 11752352; 10828060	"Clavey V, Copin C, Mariotte MC, Bauge E, Chinetti G, Fruchart J, Fruchart JC, Dallongeville J, Staels B: Cell culture conditions determine apolipoprotein CIII secretion and regulation by fibrates in human hepatoma HepG2 cells. Cell Physiol Biochem. 1999;9(3):139-49.@@Chaput E, Saladin R, Silvestre M, Edgar AD: Fenofibrate and rosiglitazone lower serum triglycerides with opposing effects on body weight. Biochem Biophys Res Commun. 2000 May 10;271(2):445-50.@@Casas F, Pineau T, Rochard P, Rodier A, Daury L, Dauca M, Cabello G, Wrutniak-Cabello C: New molecular aspects of regulation of mitochondrial activity by fenofibrate and fasting. FEBS Lett. 2000 Sep 29;482(1-2):71-4.@@Bouly M, Masson D, Gross B, Jiang XC, Fievet C, Castro G, Tall AR, Fruchart JC, Staels B, Lagrost L, Luc G: Induction of the phospholipid transfer protein gene accounts for the high density lipoprotein enlargement in mice treated with fenofibrate. J Biol Chem. 2001 Jul 13;276(28):25841-7. Epub 2001 May 7.@@Dana SL, Hoener PA, Bilakovics JM, Crombie DL, Ogilvie KM, Kauffman RF, Mukherjee R, Paterniti JR Jr: Peroxisome proliferator-activated receptor subtype-specific regulation of hepatic and peripheral gene expression in the Zucker diabetic fatty rat. Metabolism. 2001 Aug;50(8):963-71.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Guerre-Millo M, Gervois P, Raspe E, Madsen L, Poulain P, Derudas B, Herbert JM, Winegar DA, Willson TM, Fruchart JC, Berge RK, Staels B: Peroxisome proliferator-activated receptor alpha activators improve insulin sensitivity and reduce adiposity. J Biol Chem. 2000 Jun 2;275(22):16638-42."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; Butyrates; Benzophenones; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Lipid Regulating Agents; Fatty Acids, Volatile; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Ketones; Lipid Modifying Agents, Plain; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (weak); UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1					1381	46507371	D00565	PA449594		DAP000270	Fenofibrate	CHEMBL672	8703
DB01039	Fenofibrate	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	20024649	"Creusot N, Kinani S, Balaguer P, Tapie N, LeMenach K, Maillot-Marechal E, Porcher JM, Budzinski H, Ait-Aissa S: Evaluation of an hPXR reporter gene assay for the detection of aquatic emerging pollutants: screening of chemicals and application to water samples. Anal Bioanal Chem. 2010 Jan;396(2):569-83. doi: 10.1007/s00216-009-3310-y. Epub 2009 Nov 29."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; Butyrates; Benzophenones; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Lipid Regulating Agents; Fatty Acids, Volatile; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Ketones; Lipid Modifying Agents, Plain; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (weak); UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1					1381	46507371	D00565	PA449594		DAP000270	Fenofibrate	CHEMBL672	8703
DB01039	Fenofibrate	BE0009742	MMP25	Q9NPA2	MMP25_HUMAN	inhibitor	17353509; 17606858	"Duhaney TA, Cui L, Rude MK, Lebrasseur NK, Ngoy S, De Silva DS, Siwik DA, Liao R, Sam F: Peroxisome proliferator-activated receptor alpha-independent actions of fenofibrate exacerbates left ventricular dilation and fibrosis in chronic pressure overload. Hypertension. 2007 May;49(5):1084-94. Epub 2007 Mar 12.@@Lebrasseur NK, Duhaney TA, De Silva DS, Cui L, Ip PC, Joseph L, Sam F: Effects of fenofibrate on cardiac remodeling in aldosterone-induced hypertension. Hypertension. 2007 Sep;50(3):489-96. Epub 2007 Jul 2."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; Butyrates; Benzophenones; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Lipid Regulating Agents; Fatty Acids, Volatile; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Ketones; Lipid Modifying Agents, Plain; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (weak); UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1					1381	46507371	D00565	PA449594		DAP000270	Fenofibrate	CHEMBL672	8703
DB01041	Thalidomide	BE0004755	CRBN	Q96SW2	CRBN_HUMAN	inhibitor	22966948	"Zhu YX, Kortuem KM, Stewart AK: Molecular mechanism of action of immune-modulatory drugs thalidomide, lenalidomide and pomalidomide in multiple myeloma. Leuk Lymphoma. 2013 Apr;54(4):683-7. doi: 10.3109/10428194.2012.728597. Epub 2012 Sep 28."	Approved; Investigational; Withdrawn	Phthalimides	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Immunomodulatory Agents; Myelosuppressive Agents; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Noxae; Tumor Necrosis Factor Blockers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cardiotoxic antineoplastic agents; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Immunologic Factors; Photosensitizing Agents; Cytochrome P-450 CYP3A4 Inducers; Phthalimides; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Leprostatic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Isoindoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Teratogens; Toxic Actions; Cytochrome P-450 CYP3A5 Inducers (strength unknown)"	O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12					6036	46505665	D00754	PA451644		DAP000865	Thalidomide	CHEMBL468	10432
DB01043	Memantine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	15522999; 14645141; 22408449	"Aracava Y, Pereira EF, Maelicke A, Albuquerque EX: Memantine blocks alpha7* nicotinic acetylcholine receptors more potently than n-methyl-D-aspartate receptors in rat hippocampal neurons. J Pharmacol Exp Ther. 2005 Mar;312(3):1195-205. Epub 2004 Nov 2.@@Maskell PD, Speder P, Newberry NR, Bermudez I: Inhibition of human alpha 7 nicotinic acetylcholine receptors by open channel blockers of N-methyl-D-aspartate receptors. Br J Pharmacol. 2003 Dec;140(7):1313-9. doi: 10.1038/sj.bjp.0705559.@@Pohanka M: Alpha7 nicotinic acetylcholine receptor is a target in pharmacology and toxicology. Int J Mol Sci. 2012;13(2):2219-38. doi: 10.3390/ijms13022219. Epub 2012 Feb 17."	Approved; Investigational	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Cytochrome P-450 CYP2B6 Inhibitors; N-methyl-D-aspartate Receptor Antagonist; Anti-Dementia Drugs; OCT2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Psychoanaleptics; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Inhibitors (weak); NMDA Receptor Antagonists; Cytochrome P-450 CYP2A6 Inhibitors; Anti-Parkinson Drugs; Anti-Dyskinesia Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Cholinesterase Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Dopamine Agents; Miscellaneous Central Nervous System Agents	CC12CC3CC(C)(C1)CC(N)(C3)C2					13366	46506702	D08174	PA10364		DAP000493	Memantine	CHEMBL807	6719
DB01043	Memantine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	18000814; 25540723; 21130810; 26471421	"Seeman P, Caruso C, Lasaga M: Memantine agonist action at dopamine D2High receptors. Synapse. 2008 Feb;62(2):149-53.@@Serra G, Demontis F, Serra F, De Chiara L, Spoto A, Girardi P, Vidotto G, Serra G: Memantine: New prospective in bipolar disorder treatment. World J Psychiatry. 2014 Dec 22;4(4):80-90. doi: 10.5498/wjp.v4.i4.80.@@Nakaya K, Nakagawasai O, Arai Y, Onogi H, Sato A, Niijima F, Tan-No K, Tadano T: Pharmacological characterizations of memantine-induced disruption of prepulse inhibition of the acoustic startle response in mice: involvement of dopamine D2 and 5-HT2A receptors. Behav Brain Res. 2011 Mar 17;218(1):165-73. doi: 10.1016/j.bbr.2010.11.053. Epub 2010 Dec 3.@@Mancini M, Ghiglieri V, Bagetta V, Pendolino V, Vannelli A, Cacace F, Mineo D, Calabresi P, Picconi B: Memantine alters striatal plasticity inducing a shift of synaptic responses toward long-term depression. Neuropharmacology. 2016 Feb;101:341-50. doi: 10.1016/j.neuropharm.2015.10.015. Epub 2015 Dec 3."	Approved; Investigational	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Cytochrome P-450 CYP2B6 Inhibitors; N-methyl-D-aspartate Receptor Antagonist; Anti-Dementia Drugs; OCT2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Psychoanaleptics; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Inhibitors (weak); NMDA Receptor Antagonists; Cytochrome P-450 CYP2A6 Inhibitors; Anti-Parkinson Drugs; Anti-Dyskinesia Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Cholinesterase Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Dopamine Agents; Miscellaneous Central Nervous System Agents	CC12CC3CC(C)(C1)CC(N)(C3)C2					13366	46506702	D08174	PA10364		DAP000493	Memantine	CHEMBL807	6719
DB01043	Memantine	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	binder	19236854	"Molinaro G, Battaglia G, Riozzi B, Di Menna L, Rampello L, Bruno V, Nicoletti F: Memantine treatment reduces the expression of the K(+)/Cl(-) cotransporter KCC2 in the hippocampus and cerebral cortex, and attenuates behavioural responses mediated by GABA(A) receptor activation in mice. Brain Res. 2009 Apr 10;1265:75-9. doi: 10.1016/j.brainres.2009.02.016. Epub 2009 Feb 21."	Approved; Investigational	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Cytochrome P-450 CYP2B6 Inhibitors; N-methyl-D-aspartate Receptor Antagonist; Anti-Dementia Drugs; OCT2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Psychoanaleptics; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Inhibitors (weak); NMDA Receptor Antagonists; Cytochrome P-450 CYP2A6 Inhibitors; Anti-Parkinson Drugs; Anti-Dyskinesia Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Cholinesterase Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Dopamine Agents; Miscellaneous Central Nervous System Agents	CC12CC3CC(C)(C1)CC(N)(C3)C2					13366	46506702	D08174	PA10364		DAP000493	Memantine	CHEMBL807	6719
DB01043	Memantine	BE0009666	GLRA1	P48167	GLRB_HUMAN	inhibitor	20720132; 23421676	"Xia P, Chen HS, Zhang D, Lipton SA: Memantine preferentially blocks extrasynaptic over synaptic NMDA receptor currents in hippocampal autapses. J Neurosci. 2010 Aug 18;30(33):11246-50. doi: 10.1523/JNEUROSCI.2488-10.2010.@@Limapichat W, Yu WY, Branigan E, Lester HA, Dougherty DA: Key binding interactions for memantine in the NMDA receptor. ACS Chem Neurosci. 2013 Feb 20;4(2):255-60. doi: 10.1021/cn300180a. Epub 2012 Dec 7."	Approved; Investigational	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Cytochrome P-450 CYP2B6 Inhibitors; N-methyl-D-aspartate Receptor Antagonist; Anti-Dementia Drugs; OCT2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Psychoanaleptics; Bridged-Ring Compounds; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Inhibitors (weak); NMDA Receptor Antagonists; Cytochrome P-450 CYP2A6 Inhibitors; Anti-Parkinson Drugs; Anti-Dyskinesia Agents; Cytochrome P-450 CYP2A6 Inhibitors (weak); Central Nervous System Agents; Cholinesterase Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Nervous System; Dopamine Agents; Miscellaneous Central Nervous System Agents	CC12CC3CC(C)(C1)CC(N)(C3)C2					13366	46506702	D08174	PA10364		DAP000493	Memantine	CHEMBL807	6719
DB01045	Rifampicin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	16480505; 19460945	"Chen J, Raymond K: Roles of rifampicin in drug-drug interactions: underlying molecular mechanisms involving the nuclear pregnane X receptor. Ann Clin Microbiol Antimicrob. 2006 Feb 15;5:3.@@Cheng J, Ma X, Krausz KW, Idle JR, Gonzalez FJ: Rifampicin-activated human pregnane X receptor and CYP3A4 induction enhance acetaminophen-induced toxicity. Drug Metab Dispos. 2009 Aug;37(8):1611-21. doi: 10.1124/dmd.109.027565. Epub 2009 May 21."	Approved	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	"OATP1B1/SLCO1B1 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Anti-Bacterial Agents; Lactams, Macrocyclic; Cytochrome P-450 CYP3A Inducers (strong); Amides; P-glycoprotein inducers; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2E1 Inducers; Antiinfectives for Systemic Use; Cytochrome P-450 CYP2C9 Inducers (moderate); Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inducers (moderate); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Drugs for Treatment of Tuberculosis; UGT1A9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers (strong); Cytochrome P-450 CYP3A5 Inducers (strong); Rifamycin Antibacterial; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A7 Inducers (weak); Cytochrome P-450 CYP2C8 Inducers; Leprostatic Agents; OATP1B3 inhibitors; Rifamycins; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Drugs for Treatment of Lepra; Cytochrome P-450 CYP2A6 Inducers (moderate); Cytochrome P-450 CYP3A5 Inducers; Hepatotoxic Agents; Cytochrome P-450 CYP2C19 Inducers (moderate); Organic Anion Transporting Polypeptide 2B1 Inhibitors; UGT1A9 Inducers; Cytochrome P-450 CYP3A7 Inducers (strong); Antimycobacterials; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C19 Inducers (strong); Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Rifamycin Antimycobacterial; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Inducers (moderate); Chemically-Induced Disorders; Antibiotics, Antitubercular"	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C					8566	46506170	D00211	PA451250		DNC000965	Rifampicin	CHEMBL374478	9384
DB01047	Fluocinonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	11279785	"Jessop S, Whitelaw D, Jordaan F: Drugs for discoid lupus erythematosus. Cochrane Database Syst Rev. 2001;(1):CD002954."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O					7579	46504523	D00325	PA449664		DAP000421	Fluocinonide	CHEMBL1501	4462
DB01047	Fluocinonide	BE0004659	SMO	Q99835	SMO_HUMAN	agonist	20439738	"Wang J, Lu J, Bond MC, Chen M, Ren XR, Lyerly HK, Barak LS, Chen W: Identification of select glucocorticoids as Smoothened agonists: potential utility for regenerative medicine. Proc Natl Acad Sci U S A. 2010 May 18;107(20):9323-8. doi: 10.1073/pnas.0910712107. Epub 2010 May 3."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O					7579	46504523	D00325	PA449664		DAP000421	Fluocinonide	CHEMBL1501	4462
DB01048	Abacavir	BE0009142	HLA-B	P01889	1B27_HUMAN		19629158	"Yang L, Chen J, He L: Harvesting candidate genes responsible for serious adverse drug reactions from a chemical-protein interactome. PLoS Comput Biol. 2009 Jul;5(7):e1000441. doi: 10.1371/journal.pcbi.1000441. Epub 2009 Jul 24."	Approved; Investigational	"1,3-substituted cyclopentyl purine nucleosides"	"Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; Cyclopentyl nucleosides"	"Antiviral Agents; Purines; Enzyme Inhibitors; Nucleosides; Reverse Transcriptase Inhibitors; Nucleoside Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Cycloparaffins; Drugs that are Mainly Renally Excreted; Dideoxynucleosides; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Antivirals for Systemic Use; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Direct Acting Antivirals; Deoxyadenosines; Nucleic Acids, Nucleotides, and Nucleosides; Anti-Retroviral Agents; Anti-Infective Agents; UGT1A1 Substrates; Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor"	NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1		Abacavir Action Pathway	drug_action		11893	46505718	D07057	PA448004		DAP000704	Abacavir	CHEMBL1380	190521
DB01049	Ergoloid mesylate	BE0004862	HTR1A	P34969	5HT7R_HUMAN	antagonist			Approved			"Peripheral Vasodilators; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Dihydroergotoxine; Ergot Alkaloids and Derivatives; Serotonin Modulators; Heterocyclic Compounds, Fused-Ring; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Nootropic Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Sympatholytic (Adrenergic Blocking) Agents; Adrenergic Agents; Dopamine Agents"						1411	46505963	D02268	PA164752439		DAP000901	Ergoloid		4024
DB01050	Ibuprofen	BE0000246	BCL2	P10415	BCL2_HUMAN	modulator	22668799	"Palayoor ST, J-Aryankalayil M, Makinde AY, Cerna D, Falduto MT, Magnuson SR, Coleman CN: Gene expression profile of coronary artery cells treated with nonsteroidal anti-inflammatory drugs reveals off-target effects. J Cardiovasc Pharmacol. 2012 Jun;59(6):487-99. doi: 10.1097/FJC.0b013e31824ba6b5."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents"	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O		Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway	drug_metabolism; drug_action		2609	46507255	D00126	PA449957		DAP000780	Ibuprofen	CHEMBL521	5640
DB01050	Ibuprofen	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	20089905	"Dill J, Patel AR, Yang XL, Bachoo R, Powell CM, Li S: A molecular mechanism for ibuprofen-mediated RhoA inhibition in neurons. J Neurosci. 2010 Jan 20;30(3):963-72. doi: 10.1523/JNEUROSCI.5045-09.2010."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents"	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O		Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway	drug_metabolism; drug_action		2609	46507255	D00126	PA449957		DAP000780	Ibuprofen	CHEMBL521	5640
DB01050	Ibuprofen	BE0001195	CFTR	P13569	CFTR_HUMAN	inhibitor	9710435	"Devor DC, Schultz BD: Ibuprofen inhibits cystic fibrosis transmembrane conductance regulator-mediated Cl- secretion. J Clin Invest. 1998 Aug 15;102(4):679-87."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents"	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O		Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway	drug_metabolism; drug_action		2609	46507255	D00126	PA449957		DAP000780	Ibuprofen	CHEMBL521	5640
DB01050	Ibuprofen	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; Sensory System Agents; UGT2B7 substrates; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Agents causing angioedema; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; UGT2B17 Inhibitors; Other Nonsteroidal Anti-inflammatory Agents; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; COX-2 Inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Phenylpropionates; Throat Preparations; Acids, Carbocyclic; UGT1A3 substrates; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; OATP2B1/SLCO2B1 substrates; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Propionates; UDP Glucuronosyltransferases Inhibitors; Cyclooxygenase Inhibitors; COX-1 Inhibitors; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Antiinflammatory Products for Vaginal Administration; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; UGT1A1 Substrates; Nervous System; Antirheumatic Agents"	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O		Ibuprofen Action Pathway; Ibuprofen Metabolism Pathway	drug_metabolism; drug_action		2609	46507255	D00126	PA449957		DAP000780	Ibuprofen	CHEMBL521	5640
DB01053	Benzylpenicillin	BE0003645	SLC22A8	Q8TCC7	S22A8_HUMAN	substrate	12130730	"Takeda M, Khamdang S, Narikawa S, Kimura H, Hosoyamada M, Cha SH, Sekine T, Endou H: Characterization of methotrexate transport and its drug interactions with human organic anion transporters. J Pharmacol Exp Ther. 2002 Aug;302(2):666-71."	Approved; Vet_approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; OAT3/SLC22A8 Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Amides; OAT1/SLC22A6 inhibitors; Natural Penicillins; Antiinfectives for Systemic Use; Beta-Lactamase Sensitive Penicillins; Heterocyclic Compounds, Fused-Ring; OATP2B1/SLCO2B1 substrates; Antibacterials for Systemic Use; Beta-Lactam Antibacterials; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Ophthalmologicals; Sulfur Compounds; Penicillins; Penicillin G; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O					11521	46506778	D02336	PA450842		DNC001109	Benzylpenicillin	CHEMBL29	7980
DB01053	Benzylpenicillin	BE0001018	SLC15A1	P46059	S15A1_HUMAN	substrate	15567297	"Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24."	Approved; Vet_approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; OAT3/SLC22A8 Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Amides; OAT1/SLC22A6 inhibitors; Natural Penicillins; Antiinfectives for Systemic Use; Beta-Lactamase Sensitive Penicillins; Heterocyclic Compounds, Fused-Ring; OATP2B1/SLCO2B1 substrates; Antibacterials for Systemic Use; Beta-Lactam Antibacterials; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Ophthalmologicals; Sulfur Compounds; Penicillins; Penicillin G; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O					11521	46506778	D02336	PA450842		DNC001109	Benzylpenicillin	CHEMBL29	7980
DB01053	Benzylpenicillin	BE0001134	SLC15A2	Q16348	S15A2_HUMAN	inhibitor	21741846	"Pedretti A, De Luca L, Marconi C, Regazzoni L, Aldini G, Vistoli G: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorg Med Chem. 2011 Aug 1;19(15):4544-51. doi: 10.1016/j.bmc.2011.06.027. Epub  2011 Jun 16."	Approved; Vet_approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"beta-Lactams; OAT3/SLC22A8 Substrates; Anti-Bacterial Agents; OATP1B1/SLCO1B1 Substrates; Amides; OAT1/SLC22A6 inhibitors; Natural Penicillins; Antiinfectives for Systemic Use; Beta-Lactamase Sensitive Penicillins; Heterocyclic Compounds, Fused-Ring; OATP2B1/SLCO2B1 substrates; Antibacterials for Systemic Use; Beta-Lactam Antibacterials; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Ophthalmologicals; Sulfur Compounds; Penicillins; Penicillin G; Sensory Organs"	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O					11521	46506778	D02336	PA450842		DNC001109	Benzylpenicillin	CHEMBL29	7980
DB01054	Nitrendipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 1846597	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	19029287; 1846597	"Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN	inhibitor	18974361	"Perez-Reyes E, Van Deusen AL, Vitko I: Molecular pharmacology of human Cav3.2 T-type Ca2+ channels: block by antihypertensives, antiarrhythmics, and their analogs. J Pharmacol Exp Ther. 2009 Feb;328(2):621-7. doi: 10.1124/jpet.108.145672. Epub 2008 Oct 30."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	11119684; 32766273	"Mize RR, Lo F: Nitric oxide, impulse activity, and neurotrophins in visual system development(1). Brain Res. 2000 Dec 15;886(1-2):15-32. doi: 10.1016/s0006-8993(00)02750-5.@@Goswami C, Dezaki K, Wang L, Inui A, Seino Y, Yada T: Ninjin'yoeito Targets Distinct Ca(2+) Channels to Activate Ghrelin-Responsive vs. Unresponsive NPY Neurons in the Arcuate Nucleus. Front Nutr. 2020 Jul 17;7:104. doi: 10.3389/fnut.2020.00104. eCollection 2020."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01054	Nitrendipine	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	inhibitor	1733781	"Ellory JC, Kirk K, Culliford SJ, Nash GB, Stuart J: Nitrendipine is a potent inhibitor of the Ca(2+)-activated K+ channel of human erythrocytes. FEBS Lett. 1992 Jan 20;296(2):219-21. doi: 10.1016/0014-5793(92)80383-r."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01055	Mimosine	BE0000331	SHMT1	P34896	GLYC_HUMAN	inhibitor	10766749; 11936838; 15531579; 8576220	"Oppenheim EW, Nasrallah IM, Mastri MG, Stover PJ: Mimosine is a cell-specific antagonist of folate metabolism. J Biol Chem. 2000 Jun 23;275(25):19268-74.@@Conti P, Frydas S, Reale M, Barbacane RC, Di Gioacchino M, Felaco M, Trakatellis A: Inhibition of MCP-1 and MIP-2 transcription and translation by mimosine in muscle tissue infected with the parasite Trichinella spiralis. Mol Cell Biochem. 2002 Jan;229(1-2):129-37.@@Perry C, Sastry R, Nasrallah IM, Stover PJ: Mimosine attenuates serine hydroxymethyltransferase transcription by chelating zinc. Implications for inhibition of DNA replication. J Biol Chem. 2005 Jan 7;280(1):396-400. Epub 2004 Nov 4.@@Lin HB, Falchetto R, Mosca PJ, Shabanowitz J, Hunt DF, Hamlin JL: Mimosine targets serine hydroxymethyltransferase. J Biol Chem. 1996 Feb 2;271(5):2548-56."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Pyridones; Alanine; Amino Acids, Peptides, and Proteins; Pyridines"	N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O						46505895		PA164752445		DNC000947	Mimosine	CHEMBL245416	
DB01055	Mimosine	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor	15577244; 16750372; 3094574; 6234942	"Ahmad VU, Ullah F, Hussain J, Farooq U, Zubair M, Khan MT, Choudhary MI: Tyrosinase inhibitors from Rhododendron collettianum and their structure-activity relationship (SAR) studies. Chem Pharm Bull (Tokyo). 2004 Dec;52(12):1458-61.@@Khan KM, Mughal UR, Khan MT, Zia-Ullah, Perveen S, Choudhary MI: Oxazolones: new tyrosinase inhibitors; synthesis and their structure-activity relationships. Bioorg Med Chem. 2006 Sep 1;14(17):6027-33. Epub 2006 Jun 5.@@Sugumaran M: Tyrosinase catalyzes an unusual oxidative decarboxylation of 3,4-dihydroxymandelate. Biochemistry. 1986 Aug 12;25(16):4489-92.@@Woolery GL, Powers L, Winkler M, Solomon EI, Lerch K, Spiro TG: Extended X-ray absorption fine structure study of the coupled binuclear copper active site of tyrosinase from Neurospora crassa. Biochim Biophys Acta. 1984 Jul 31;788(2):155-61."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Pyridones; Alanine; Amino Acids, Peptides, and Proteins; Pyridines"	N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O						46505895		PA164752445		DNC000947	Mimosine	CHEMBL245416	
DB01056	Tocainide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	10953551; 11752352	"Georgijevic Milic L: [Molecular genetics in the hereditary form of long QT syndrome]. Med Pregl. 2000 Jan-Feb;53(1-2):51-4.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Antiarrhythmic agents; Sodium Channel Blockers; Aniline Compounds; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (weak); Voltage-Gated Sodium Channel Blockers; Amines; Cardiac Therapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiarrhythmics, Class Ib; Antiarrhythmics, Class I; Cytochrome P-450 CYP1A2 Inhibitors; Amides; Anilides; Cytochrome P-450 CYP1A2 Substrates; Membrane Transport Modulators"	CC(N)C(=O)NC1=C(C)C=CC=C1C		Tocainide Action Pathway	drug_action		20358	46505385	D06172	PA451706		DAP000517	Tocainide	CHEMBL1762	42359
DB01057	Echothiophate	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	2481033; 11752352	"Henderson EG, Post-Munson DJ, Reynolds LS, Epstein PM: Echothiophate and cogeners decrease the voltage dependence of end-plate current decay in frog skeletal muscle. J Pharmacol Exp Ther. 1989 Dec;251(3):810-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Organothiophosphates; Miotics; Cholinergic Agents; Autonomic Agents; Antiglaucoma Preparations and Miotics; Parasympathomimetics; Potential QTc-Prolonging Agents; Organothiophosphorus Compounds; Peripheral Nervous System Agents; Ophthalmologicals; Cholinesterase Inhibitors; Neurotransmitter Agents; Sulfur Compounds; Sensory Organs	CCOP(=O)(OCC)SCC[N+](C)(C)C					9719	46505944	D02193	PA164743139		DAP000962	Echothiophate	CHEMBL1201341	89778
DB01059	Norfloxacin	BE0004951	TOP2A	Q02880	TOP2B_HUMAN	inhibitor	9917336	"Alkorta I, Park C, Kong J, Garbisu C, Alberti M, Pon N, Hearst JE: Rhodobacter capsulatus DNA topoisomerase I purification and characterization. Arch Biochem Biophys. 1999 Feb 1;362(1):123-30. doi: 10.1006/abbi.1998.1023."	Approved	Quinoline carboxylic acids	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Topoisomerase Inhibitors; Anti-Bacterial Agents; Quinolones; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Quinolone Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Sensory Organs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antibacterials for Systemic Use; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Ophthalmologicals; Quinolines; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1					1838	46508634	D00210	PA450654		DAP000654	Norfloxacin	CHEMBL9	7517
DB01062	Oxybutynin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	19275276; 19446545; 20590605; 17222678; 16406943; 7620236	"Baldwin CM, Keating GM: Transdermal oxybutynin. Drugs. 2009;69(3):327-37. doi: 10.2165/00003495-200969030-00008.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Oki T, Kageyama A, Takagi Y, Uchida S, Yamada S: Comparative evaluation of central muscarinic receptor binding activity by oxybutynin, tolterodine and darifenacin used to treat overactive bladder. J Urol. 2007 Feb;177(2):766-70.@@Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9.@@Yarker YE, Goa KL, Fitton A: Oxybutynin. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic use in detrusor instability. Drugs Aging. 1995 Mar;6(3):243-62. doi: 10.2165/00002512-199506030-00007."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 CYP2C8 Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents"	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1					13333	46508005	D00465	PA164746030		DAP001128	Oxybutynin	CHEMBL1231	32675
DB01062	Oxybutynin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	15963006; 16188951; 19446545; 20590605; 17222678; 7620236	"Dmochowski R: Improving the tolerability of anticholinergic agents in the treatment of overactive bladder. Drug Saf. 2005;28(7):583-600.@@Nelson CP, Nahorski SR, Challiss RA: Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor. J Pharmacol Exp Ther. 2006 Jan;316(1):279-88. Epub 2005 Sep 27.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Oki T, Kageyama A, Takagi Y, Uchida S, Yamada S: Comparative evaluation of central muscarinic receptor binding activity by oxybutynin, tolterodine and darifenacin used to treat overactive bladder. J Urol. 2007 Feb;177(2):766-70.@@Yarker YE, Goa KL, Fitton A: Oxybutynin. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic use in detrusor instability. Drugs Aging. 1995 Mar;6(3):243-62. doi: 10.2165/00002512-199506030-00007."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Autonomic Agents; Cytochrome P-450 CYP2C8 Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents"	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1					13333	46508005	D00465	PA164746030		DAP001128	Oxybutynin	CHEMBL1231	32675
DB01063	Acetophenazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17139284; 17016423; 11873706; 6147851; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Tam SW, Cook L: Sigma opiates and certain antipsychotic drugs mutually inhibit (+)-[3H] SKF 10,047 and [3H]haloperidol binding in guinea pig brain membranes. Proc Natl Acad Sci U S A. 1984 Sep;81(17):5618-21.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Antipsychotic Agents; Phenothiazines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Nervous System; Phenothiazines With Piperazine Structure; Sulfur Compounds; Dopamine Antagonists; Psycholeptics; Neurotoxic agents; Dopamine D2 Receptor Antagonists"	CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1						46507036		PA164781360		DAP000844	Acetophenazine	CHEMBL1085	16735
DB01064	Isoprenaline	BE0002390	SOD1	P00441	SODC_HUMAN	stabilization	23612299	"Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750."	Approved; Investigational	Catechols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Protective Agents; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Non-selective Beta-adrenergic Agonists; Phenols; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cardiotonic Agents; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; COMT Substrates; Respiratory System Agents; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Cardiac Therapy; Catechols; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Neurotransmitter Agents; Ethanolamines; Adrenergic Agents"	CC(C)NCC(O)C1=CC(O)=C(O)C=C1		Isoprenaline Action Pathway	drug_action		10114	46507323		PA450121		DNC000819	Isoprenaline	CHEMBL434	6054
DB01065	Melatonin	BE0000515	MTNR1A	P48039	MTR1A_HUMAN	agonist	19463840; 11752352; 15992934; 19449447; 20827520; 20674373; 19966183	"Radogna F, Paternoster L, De Nicola M, Cerella C, Ammendola S, Bedini A, Tarzia G, Aquilano K, Ciriolo M, Ghibelli L: Rapid and transient stimulation of intracellular reactive oxygen species by melatonin in normal and tumor leukocytes. Toxicol Appl Pharmacol. 2009 Aug 15;239(1):37-45. doi: 10.1016/j.taap.2009.05.012. Epub 2009 May 19.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Boutin JA, Audinot V, Ferry G, Delagrange P: Molecular tools to study melatonin pathways and actions. Trends Pharmacol Sci. 2005 Aug;26(8):412-9.@@Hardeland R: Melatonin: signaling mechanisms of a pleiotropic agent. Biofactors. 2009 Mar-Apr;35(2):183-92. doi: 10.1002/biof.23.@@Srinivasan V, Singh J, Pandi-Perumal SR, Brown GM, Spence DW, Cardinali DP: Jet lag, circadian rhythm sleep disturbances, and depression: the role of melatonin and its analogs. Adv Ther. 2010 Nov;27(11):796-813. doi: 10.1007/s12325-010-0065-y. Epub 2010 Sep  6.@@Carocci A, Catalano A, Lovece A, Lentini G, Duranti A, Lucini V, Pannacci M, Scaglione F, Franchini C: Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors. Bioorg Med Chem. 2010 Sep 1;18(17):6496-511. doi: 10.1016/j.bmc.2010.06.100. Epub 2010 Jul 3.@@Prendergast BJ: MT1 melatonin receptors mediate somatic, behavioral, and reproductive neuroendocrine responses to photoperiod and melatonin in Siberian hamsters (Phodopus sungorus). Endocrinology. 2010 Feb;151(2):714-21. doi: 10.1210/en.2009-0710. Epub 2009 Dec 4."	Approved; Nutraceutical; Vet_approved	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1		Tryptophan Metabolism	metabolic		7341	46509101	D08170	PA164752558		DAP000429	Melatonin	CHEMBL45	6711
DB01065	Melatonin	BE0000327	MTNR1B	P49286	MTR1B_HUMAN	agonist	19463840; 15992934; 19449447; 20827520; 20674373; 19966183	"Radogna F, Paternoster L, De Nicola M, Cerella C, Ammendola S, Bedini A, Tarzia G, Aquilano K, Ciriolo M, Ghibelli L: Rapid and transient stimulation of intracellular reactive oxygen species by melatonin in normal and tumor leukocytes. Toxicol Appl Pharmacol. 2009 Aug 15;239(1):37-45. doi: 10.1016/j.taap.2009.05.012. Epub 2009 May 19.@@Boutin JA, Audinot V, Ferry G, Delagrange P: Molecular tools to study melatonin pathways and actions. Trends Pharmacol Sci. 2005 Aug;26(8):412-9.@@Hardeland R: Melatonin: signaling mechanisms of a pleiotropic agent. Biofactors. 2009 Mar-Apr;35(2):183-92. doi: 10.1002/biof.23.@@Srinivasan V, Singh J, Pandi-Perumal SR, Brown GM, Spence DW, Cardinali DP: Jet lag, circadian rhythm sleep disturbances, and depression: the role of melatonin and its analogs. Adv Ther. 2010 Nov;27(11):796-813. doi: 10.1007/s12325-010-0065-y. Epub 2010 Sep  6.@@Carocci A, Catalano A, Lovece A, Lentini G, Duranti A, Lucini V, Pannacci M, Scaglione F, Franchini C: Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors. Bioorg Med Chem. 2010 Sep 1;18(17):6496-511. doi: 10.1016/j.bmc.2010.06.100. Epub 2010 Jul 3.@@Prendergast BJ: MT1 melatonin receptors mediate somatic, behavioral, and reproductive neuroendocrine responses to photoperiod and melatonin in Siberian hamsters (Phodopus sungorus). Endocrinology. 2010 Feb;151(2):714-21. doi: 10.1210/en.2009-0710. Epub 2009 Dec 4."	Approved; Nutraceutical; Vet_approved	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1		Tryptophan Metabolism	metabolic		7341	46509101	D08170	PA164752558		DAP000429	Melatonin	CHEMBL45	6711
DB01065	Melatonin	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	15229223; 19796047	"del Rio B, Garcia Pedrero JM, Martinez-Campa C, Zuazua P, Lazo PS, Ramos S: Melatonin, an endogenous-specific inhibitor of estrogen receptor alpha via calmodulin. J Biol Chem. 2004 Sep 10;279(37):38294-302. Epub 2004 Jun 30.@@Yoo YM, Jeung EB: Melatonin-induced estrogen receptor alpha-mediated calbindin-D9k expression plays a role in H2O2-mediated cell death in rat pituitary GH3 cells. J Pineal Res. 2009 Nov;47(4):301-7. doi: 10.1111/j.1600-079X.2009.00714.x. Epub 2009 Oct 1."	Approved; Nutraceutical; Vet_approved	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1		Tryptophan Metabolism	metabolic		7341	46509101	D08170	PA164752558		DAP000429	Melatonin	CHEMBL45	6711
DB01065	Melatonin	BE0003553	ASMT	P46597	ASMT_HUMAN		180879	"Minneman KP, Wurtman RJ: The pharmacology of the pineal gland. Annu Rev Pharmacol Toxicol. 1976;16:33-51."	Approved; Nutraceutical; Vet_approved	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Melatonin, agonists; Antioxidants; Melatonin Receptor Agonists; Amines; Biogenic Amines; Protective Agents; Indoles; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Hormones; Cytochrome P-450 CYP2C19 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Biogenic Monoamines; Tryptamines; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1		Tryptophan Metabolism	metabolic		7341	46509101	D08170	PA164752558		DAP000429	Melatonin	CHEMBL45	6711
DB01067	Glipizide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	11078468; 11078469; 11484080; 11574406; 12475777	"Gribble FM, Ashcroft FM: Sulfonylurea sensitivity of adenosine triphosphate-sensitive potassium channels from beta cells and extrapancreatic tissues. Metabolism. 2000 Oct;49(10 Suppl 2):3-6.@@Harrower A: Gliclazide modified release: from once-daily administration to 24-hour blood glucose control. Metabolism. 2000 Oct;49(10 Suppl 2):7-11.@@Lawrence CL, Proks P, Rodrigo GC, Jones P, Hayabuchi Y, Standen NB, Ashcroft FM: Gliclazide produces high-affinity block of KATP channels in mouse isolated pancreatic beta cells but not rat heart or arterial smooth muscle cells. Diabetologia. 2001 Aug;44(8):1019-25.@@Reimann F, Ashcroft FM, Gribble FM: Structural basis for the interference between nicorandil and sulfonylurea action. Diabetes. 2001 Oct;50(10):2253-9.@@Proks P, Reimann F, Green N, Gribble F, Ashcroft F: Sulfonylurea stimulation of insulin secretion. Diabetes. 2002 Dec;51 Suppl 3:S368-76."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Drugs Used in Diabetes; Insulin Secretagogues; Oral Hypoglycemics; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Sulfones; Sulfonylureas; UGT1A1 Substrates; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates	CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1						46505865	D00335	PA449762		DAP000920	Glipizide	CHEMBL1073	4821
DB01067	Glipizide	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	17082235	"Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Drugs Used in Diabetes; Insulin Secretagogues; Oral Hypoglycemics; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Hypoglycemia-Associated Agents; Sulfones; Sulfonylureas; UGT1A1 Substrates; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates	CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1						46505865	D00335	PA449762		DAP000920	Glipizide	CHEMBL1073	4821
DB01068	Clonazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	11752090; 18384456	"Mohler H, Fritschy JM, Rudolph U: A new benzodiazepine pharmacology. J Pharmacol Exp Ther. 2002 Jan;300(1):2-8.@@Riss J, Cloyd J, Gates J, Collins S: Benzodiazepines in epilepsy: pharmacology and pharmacokinetics. Acta Neurol Scand. 2008 Aug;118(2):69-86. doi: 10.1111/j.1600-0404.2008.01004.x. Epub 2008 Mar 31."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1					2192	46507677	D00280	PA449050		DAP000259	Clonazepam	CHEMBL452	2598
DB01068	Clonazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1					2192	46507677	D00280	PA449050		DAP000259	Clonazepam	CHEMBL452	2598
DB01068	Clonazepam	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	20024649	"Creusot N, Kinani S, Balaguer P, Tapie N, LeMenach K, Maillot-Marechal E, Porcher JM, Budzinski H, Ait-Aissa S: Evaluation of an hPXR reporter gene assay for the detection of aquatic emerging pollutants: screening of chemicals and application to water samples. Anal Bioanal Chem. 2010 Jan;396(2):569-83. doi: 10.1007/s00216-009-3310-y. Epub 2009 Nov 29."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1					2192	46507677	D00280	PA449050		DAP000259	Clonazepam	CHEMBL452	2598
DB01069	Promethazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 12657913; 8098142; 2576052; 3011460; 9442829; 2866055	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Suzuki A, Yasui-Furukori N, Mihara K, Kondo T, Furukori H, Inoue Y, Kaneko S, Otani K: Histamine H1-receptor antagonists, promethazine and homochlorcyclizine, increase the steady-state plasma concentrations of haloperidol and reduced haloperidol. Ther Drug Monit. 2003 Apr;25(2):192-6.@@Smith BN, Armstrong WE: Histamine enhances the depolarizing afterpotential of immunohistochemically identified vasopressin neurons in the rat supraoptic nucleus via H1-receptor activation. Neuroscience. 1993 Apr;53(3):855-64.@@Miller RA, Tu AT: Factors in snake venoms that increase capillary permeability. J Pharm Pharmacol. 1989 Nov;41(11):792-4.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Ikeda H, Kubo N, Nakamura A, Harada N, Minamino M, Yamashita T: Histamine-induced calcium released from cultured human mucosal microvascular endothelial cells from nasal inferior turbinate. Acta Otolaryngol. 1997 Nov;117(6):864-70.@@Paton DM, Webster DR: Clinical pharmacokinetics of H1-receptor antagonists (the antihistamines). Clin Pharmacokinet. 1985 Nov-Dec;10(6):477-97."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12476402	"Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	12476402	"Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	12476402	"Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	12476402	"Golembiewski JA, O'Brien D: A systematic approach to the management of postoperative nausea and vomiting. J Perianesth Nurs. 2002 Dec;17(6):364-76."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	1377455	"Dick W, Lorenz W, Heintz D, Sitter H, Doenicke A: [Histamine release during induction of combination anesthesia using nalbuphine or fentanyl. Modulation of the reaction by premedication with promethazine/pethidine]. Anaesthesist. 1992;41(5):239-47."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	24350243; 1327391	"Cantisani C, Ricci S, Grieco T, Paolino G, Faina V, Silvestri E, Calvieri S: Topical promethazine side effects: our experience and review of the literature. Biomed Res Int. 2013;2013:151509. doi: 10.1155/2013/151509. Epub 2013 Nov 19.@@Tanaka H, Habuchi Y, Nishimura M, Sato N, Watanabe Y: Blockade of Na+ current by promethazine in guinea-pig ventricular myocytes. Br J Pharmacol. 1992 Aug;106(4):900-5. doi: 10.1111/j.1476-5381.1992.tb14432.x."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01069	Promethazine	BE0009847	KCNA1	Q13303	KCAB2_HUMAN	inducer	24350243; 10608284	"Cantisani C, Ricci S, Grieco T, Paolino G, Faina V, Silvestri E, Calvieri S: Topical promethazine side effects: our experience and review of the literature. Biomed Res Int. 2013;2013:151509. doi: 10.1155/2013/151509. Epub 2013 Nov 19.@@Galeotti N, Ghelardini C, Bartolini A: The role of potassium channels in antihistamine analgesia. Neuropharmacology. 1999 Dec;38(12):1893-901. doi: 10.1016/s0028-3908(99)00068-4."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; Phenothiazines; Phenothiazine Derivatives; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 CYP2B6 Substrates; Histamine H2 Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Dopamine D2 Receptor Antagonists; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Agents that reduce seizure threshold; Miscellaneous Anxiolytics Sedatives and Hypnotics; Antipruritics; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use; Propylamines"	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C		Promethazine H1-Antihistamine Action	drug_action		7952	46507798	D00494	PA451128		DAP000334	Promethazine	CHEMBL643	8745
DB01070	Dihydrotachysterol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	17139284; 17016423; 8380156; 1336906; 20525913; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Qaw F, Calverley MJ, Schroeder NJ, Trafford DJ, Makin HL, Jones G: In vivo metabolism of the vitamin D analog, dihydrotachysterol. Evidence for formation of 1 alpha,25- and 1 beta,25-dihydroxy-dihydrotachysterol metabolites and studies of their biological activity. J Biol Chem. 1993 Jan 5;268(1):282-92.@@Qaw FS, Makin HL, Jones G: Metabolism of 25-hydroxydihydrotachysterol3 in bone cells in vitro. Steroids. 1992 May;57(5):236-43.@@Gallagher JC, Sai AJ: Vitamin D insufficiency, deficiency, and bone health. J Clin Endocrinol Metab. 2010 Jun;95(6):2630-3. doi: 10.1210/jc.2010-0918.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Cholestanes; Fused-Ring Compounds; Sterols; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Diet, Food, and Nutrition; Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Food; Cholestenes; Steroids; Alimentary Tract and Metabolism; Membrane Lipids; Micronutrients"	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C					4921	46507699	D00299	PA164744345		DAP000365	Dihydrotachysterol	CHEMBL2356023	3429
DB01071	Mequitazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	9454781; 7650688; 8808167; 7511558; 12244568; 6418550; 11752352	"Nakamura K, Yokoi T, Kodama T, Inoue K, Nagashima K, Shimada N, Shimizu T, Kamataki T: Oxidation of histamine H1 antagonist mequitazine is catalyzed by cytochrome P450 2D6 in human liver microsomes. J Pharmacol Exp Ther. 1998 Feb;284(2):437-42.@@ter Laak AM, Venhorst J, Donne-Op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. A stereoselective pharmacophoric model based upon (semi-)rigid H1-antagonists and including a known interaction site on the receptor. J Med Chem. 1995 Aug 18;38(17):3351-60.@@Wiseman LR, Faulds D: Ebastine. a review of its pharmacological properties and clinical efficacy in the treatment of allergic disorders. Drugs. 1996 Feb;51(2):260-77.@@Yakuo I, Ishii K, Seto Y, Imano K, Takeyama K, Nakamura H, Karasawa T: [Pharmacological study of ebastine, a novel histamine H1-receptor antagonist]. Nihon Yakurigaku Zasshi. 1994 Mar;103(3):121-35.@@Wang YJ, Yu CF, Chen LC, Chen CH, Lin JK, Liang YC, Lin CH, Lin SY, Chen CF, Ho YS: Ketoconazole potentiates terfenadine-induced apoptosis in human Hep G2 cells through inhibition of cytochrome p450 3A4 activity. J Cell Biochem. 2002;87(2):147-59.@@Nicholson AN, Stone BM: The H1-antagonist mequitazine: studies on performance and visual function. Eur J Clin Pharmacol. 1983;25(4):563-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Anti-Allergic Agents; Phenothiazine Derivatives; QTc Prolonging Agents; Histamine H1 Antagonists; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Neurotransmitter Agents; Sulfur Compounds; Antihistamines for Systemic Use; Histamine Agents"	C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12		Mequitazine H1-Antihistamine Action	drug_action			46505779	D01324	PA164748010		DAP001078	Mequitazine	CHEMBL73451	29528
DB01073	Fludarabine	BE0002804	DCK	P27707	DCK_HUMAN	agonist	15820918; 20137114; 16421443	"Jordheim LP, Galmarini CM, Dumontet C: [Metabolism, mechanism of action and resistance to cytotoxic nucleoside analogues]. Bull Cancer. 2005 Mar;92(3):239-48.@@Yao L, Xu W, Fan L, Miao KR, Wu YJ, Qiao C, Zhu DX, Zhu HY, Liu P, Li JY: [Correlation of deoxycytidine kinase gene expression with fludarabine resistance in patients with chronic lymphocytic leukemia]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2010 Feb;18(1):36-9.@@Zhang Y, Secrist JA 3rd, Ealick SE: The structure of human deoxycytidine kinase in complex with clofarabine reveals key interactions for prodrug activation. Acta Crystallogr D Biol Crystallogr. 2006 Feb;62(Pt 2):133-9. Epub 2006 Jan 18."	Approved	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Myelosuppressive Agents; Purines; Nucleosides; Antimetabolites; Noxae; Myeloablative Agonists; Adenine Nucleotides; Cardiotoxic antineoplastic agents; Immunologic Factors; Nucleotides; Arabinonucleosides; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; DNA (Cytosine-5-)-Methyltransferases, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Arabinonucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues"	NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					11349	46507525	D01907	PA449655		DAP000567	Fludarabine	CHEMBL1568	24698
DB01073	Fludarabine	BE0000546	POLA1	P09884	DPOLA_HUMAN	inhibitor	17139284; 17016423; 19519505; 19325518; 17168705	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lech-Maranda E, Korycka A, Robak T: Clofarabine as a novel nucleoside analogue approved to treat patients with haematological malignancies: mechanism of action and clinical activity. Mini Rev Med Chem. 2009 Jun;9(7):805-12.@@Robak T, Korycka A, Lech-Maranda E, Robak P: Current status of older and new purine nucleoside analogues in the treatment of lymphoproliferative diseases. Molecules. 2009 Mar 23;14(3):1183-226. doi: 10.3390/molecules14031183.@@Robak T, Lech-Maranda E, Korycka A, Robak E: Purine nucleoside analogs as immunosuppressive and antineoplastic agents: mechanism of action and clinical activity. Curr Med Chem. 2006;13(26):3165-89."	Approved	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Myelosuppressive Agents; Purines; Nucleosides; Antimetabolites; Noxae; Myeloablative Agonists; Adenine Nucleotides; Cardiotoxic antineoplastic agents; Immunologic Factors; Nucleotides; Arabinonucleosides; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; DNA (Cytosine-5-)-Methyltransferases, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Purine Nucleotides; Arabinonucleotides; Narrow Therapeutic Index Drugs; Toxic Actions; Purine Analogues"	NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					11349	46507525	D01907	PA449655		DAP000567	Fludarabine	CHEMBL1568	24698
DB01074	Perhexiline	BE0000406	CPT1A	P50416	CPT1A_HUMAN	inhibitor	17139284; 17016423; 11117381; 16306812; 8694852; 17445089; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kennedy JA, Kiosoglous AJ, Murphy GA, Pelle MA, Horowitz JD: Effect of perhexiline and oxfenicine on myocardial function and metabolism during low-flow ischemia/reperfusion in the isolated rat heart. J Cardiovasc Pharmacol. 2000 Dec;36(6):794-801.@@Unger SA, Kennedy JA, McFadden-Lewis K, Minerds K, Murphy GA, Horowitz JD: Dissociation between metabolic and efficiency effects of perhexiline in normoxic rat myocardium. J Cardiovasc Pharmacol. 2005 Dec;46(6):849-55.@@Kennedy JA, Unger SA, Horowitz JD: Inhibition of carnitine palmitoyltransferase-1 in rat heart and liver by perhexiline and amiodarone. Biochem Pharmacol. 1996 Jul 26;52(2):273-80.@@Ashrafian H, Horowitz JD, Frenneaux MP: Perhexiline. Cardiovasc Drug Rev. 2007 Spring;25(1):76-97.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Non-Selective Calcium Channel Blockers; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Negative Inotrope; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Piperidines; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1						46504471		PA130150436		DAP000957	Perhexiline	CHEMBL75880	8050
DB01075	Diphenhydramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 17169617; 16702624; 17390763; 17196194; 17329841; 2878016; 3691636; 1360248	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Piao H, Nagai S, Tsurumaki T, Niki T, Higuchi H: Potentiation by neuropeptide Y of histamine H1 receptor-mediated contraction in rat blood vessels. Vascul Pharmacol. 2007 Apr;46(4):260-70. Epub 2006 Oct 27.@@Kesiova M, Alexandrova A, Yordanova N, Kirkova M, Todorov S: Effects of diphenhydramine and famotidine on lipid peroxidation and activities of antioxidant enzymes in different rat tissues. Pharmacol Rep. 2006 Mar-Apr;58(2):221-8.@@Hasala H, Moilanen E, Janka-Junttila M, Giembycz MA, Kankaanranta H: First-generation antihistamines diphenhydramine and chlorpheniramine reverse cytokine-afforded eosinophil survival by enhancing apoptosis. Allergy Asthma Proc. 2007 Jan-Feb;28(1):79-86.@@Wang Z, Woolverton WL: Self-administration of cocaine-antihistamine combinations: super-additive reinforcing effects. Eur J Pharmacol. 2007 Feb 28;557(2-3):159-60. Epub 2006 Dec 1.@@Ishikawa T, Takechi K, Rahman A, Ago J, Matsumoto N, Murakami A, Kamei C: Influences of histamine H1 receptor antagonists on maximal electroshock seizure in infant rats. Biol Pharm Bull. 2007 Mar;30(3):477-80.@@Havas TE, Cole P, Parker L, Oprysk D, Ayiomamitis A: The effects of combined H1 and H2 histamine antagonists on alterations in nasal airflow resistance induced by topical histamine provocation. J Allergy Clin Immunol. 1986 Nov;78(5 Pt 1):856-60.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Aminoalkyl Ethers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Benzene Derivatives; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; First Generation Antihistamines; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Antihistamines for Topical Use; Histamine Agents"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1		Diphenhydramine H1-Antihistamine Action	drug_action		2429	46505484	D00300	PA449349		DAP000490	Diphenhydramine	CHEMBL657	3498
DB01075	Diphenhydramine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	16453179	"Liu H, Zheng Q, Farley JM: Antimuscarinic actions of antihistamines on the heart. J Biomed Sci. 2006 May;13(3):395-401."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; Amines; QTc Prolonging Agents; Aminoalkyl Ethers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Dermatologicals; Agents producing tachycardia; Benzene Derivatives; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Anticholinergic Agents; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Drugs causing inadvertant photosensitivity; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Muscarinic Antagonists; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; First Generation Antihistamines; Ethanolamine Derivatives; Antiemetics; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Antihistamines for Topical Use; Histamine Agents"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1		Diphenhydramine H1-Antihistamine Action	drug_action		2429	46505484	D00300	PA449349		DAP000490	Diphenhydramine	CHEMBL657	3498
DB01076	Atorvastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	12769127; 12808485; 15109613; 15474503; 15748157; 11752352	"Davidson MH: Rosuvastatin: a highly efficacious statin for the treatment of dyslipidaemia. Expert Opin Investig Drugs. 2002 Mar;11(3):125-41.@@Jafari M, Ebrahimi R, Ahmadi-Kashani M, Balian H, Bashir M: Efficacy of alternate-day dosing versus daily dosing of atorvastatin. J Cardiovasc Pharmacol Ther. 2003 Jun;8(2):123-6.@@Baxter JD, Webb P, Grover G, Scanlan TS: Selective activation of thyroid hormone signaling pathways by GC-1: a new approach to controlling cholesterol and body weight. Trends Endocrinol Metab. 2004 May-Jun;15(4):154-7.@@Maejima T, Yamazaki H, Aoki T, Tamaki T, Sato F, Kitahara M, Saito Y: Effect of pitavastatin on apolipoprotein A-I production in HepG2 cell. Biochem Biophys Res Commun. 2004 Nov 12;324(2):835-9.@@Bosel J, Gandor F, Harms C, Synowitz M, Harms U, Djoufack PC, Megow D, Dirnagl U, Hortnagl H, Fink KB, Endres M: Neuroprotective effects of atorvastatin against glutamate-induced excitotoxicity in primary cortical neurones. J Neurochem. 2005 Mar;92(6):1386-98.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diphenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates"	CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1					11366	46506188	D07474	PA448500		DAP000553	Atorvastatin	CHEMBL1487	1483793
DB01076	Atorvastatin	BE0003721	AHR	P35869	AHR_HUMAN	agonist	17327465; 23703578; 26366873	"Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27.@@Chauvin B, Drouot S, Barrail-Tran A, Taburet AM: Drug-drug interactions between HMG-CoA reductase inhibitors (statins) and antiviral protease inhibitors. Clin Pharmacokinet. 2013 Oct;52(10):815-31. doi: 10.1007/s40262-013-0075-4.@@Korhonova M, Doricakova A, Dvorak Z: Optical Isomers of Atorvastatin, Rosuvastatin and Fluvastatin Enantiospecifically Activate Pregnane X Receptor PXR and Induce CYP2A6, CYP2B6 and CYP3A4 in Human Hepatocytes. PLoS One. 2015 Sep 14;10(9):e0137720. doi: 10.1371/journal.pone.0137720. eCollection 2015."	Approved	Diphenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates"	CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1					11366	46506188	D07474	PA448500		DAP000553	Atorvastatin	CHEMBL1487	1483793
DB01076	Atorvastatin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	18381445	"Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807."	Approved	Diphenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Lipids; OATP2B1/SLCO2B1 substrates; Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Toxic Actions; Cytochrome P-450 CYP3A7 Substrates"	CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1					11366	46506188	D07474	PA448500		DAP000553	Atorvastatin	CHEMBL1487	1483793
DB01077	Etidronic acid	BE0003567	PTPRS	Q13332	PTPRS_HUMAN	inhibitor	8610169; 11752352; 21555003	"Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Russell RG: Bisphosphonates: the first 40 years. Bone. 2011 Jul;49(1):2-19. doi: 10.1016/j.bone.2011.04.022. Epub 2011 May 1."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs for Treatment of Bone Diseases	CC(O)(P(O)(O)=O)P(O)(O)=O					12611	46507694	D02373	PA449548		DNC000629	Etidronic_acid	CHEMBL871	1356715
DB01077	Etidronic acid	BE0003569	ATP6V1A	P38606	VATA_HUMAN	inhibitor	8889850; 21555003	"David P, Nguyen H, Barbier A, Baron R: The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996 Oct;11(10):1498-507.@@Russell RG: Bisphosphonates: the first 40 years. Bone. 2011 Jul;49(1):2-19. doi: 10.1016/j.bone.2011.04.022. Epub 2011 May 1."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs for Treatment of Bone Diseases	CC(O)(P(O)(O)=O)P(O)(O)=O					12611	46507694	D02373	PA449548		DNC000629	Etidronic_acid	CHEMBL871	1356715
DB01078	Deslanoside	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	16319518; 11752352	"Zhao YN, Pan Y, Tao JL, Xing DM, Du LJ: Study on cardioactive effects of brazilein. Pharmacology. 2006;76(2):76-83. Epub 2005 Nov 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Antiarrhythmic agents; Fused-Ring Compounds; Cardiovascular Agents; Lanatosides; Cardanolides; Steroids; Glycosides; Cardiac Therapy; Enzyme Inhibitors; Carbohydrates; Digitalis Glycosides; Protective Agents; Compounds used in a research, industrial, or household setting; Cardiac Glycosides; Cardenolides; Cardiotonic Agents"	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1						46507176	D01240	PA164747478		DAP000464	Deslanoside	CHEMBL1614	3248
DB01079	Tegaserod	BE0000084	HTR4	Q13639	5HT4R_HUMAN	antagonist	11207504; 11876686; 12150698; 15466450; 15645012; 11752352	"Camilleri M: Review article: tegaserod. Aliment Pharmacol Ther. 2001 Mar;15(3):277-89.@@Kamm MA: Review article: the complexity of drug development for irritable bowel syndrome. Aliment Pharmacol Ther. 2002 Mar;16(3):343-51.@@Corsetti M, Tack J: Tegaserod: a new 5-HT(4) agonist in the treatment of irritable bowel syndrome. Expert Opin Pharmacother. 2002 Aug;3(8):1211-8.@@Beattie DT, Smith JA, Marquess D, Vickery RG, Armstrong SR, Pulido-Rios T, McCullough JL, Sandlund C, Richardson C, Mai N, Humphrey PP: The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60. Epub 2004 Oct 4.@@Cole P, Rabasseda X: Tegaserod: a serotonin 5-HT4 receptor agonist for treatment of constipation-predominant irritable bowel syndrome. Drugs Today (Barc). 2004 Dec;40(12):1013-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Serotonin-4 Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin 4 Receptor Agonists; Serotonin Agents; Laxatives; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Drugs for Constipation"	CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2						46506519	D06056	PA130413154		DAP001526	Tegaserod	CHEMBL76370	139778
DB01079	Tegaserod	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	15466450	"Beattie DT, Smith JA, Marquess D, Vickery RG, Armstrong SR, Pulido-Rios T, McCullough JL, Sandlund C, Richardson C, Mai N, Humphrey PP: The 5-HT4 receptor agonist, tegaserod, is a potent 5-HT2B receptor antagonist in vitro and in vivo. Br J Pharmacol. 2004 Nov;143(5):549-60. Epub 2004 Oct 4."	Approved; Investigational; Withdrawn	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Alimentary Tract and Metabolism; BCRP/ABCG2 Substrates; Serotonin-4 Receptor Agonist; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin 4 Receptor Agonists; Serotonin Agents; Laxatives; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Drugs for Constipation"	CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2						46506519	D06056	PA130413154		DAP001526	Tegaserod	CHEMBL76370	139778
DB01080	Vigabatrin	BE0000253	ABAT	P80404	GABT_HUMAN	inhibitor	10195585; 10206175	"Weber OM, Verhagen A, Duc CO, Meier D, Leenders KL, Boesiger P: Effects of vigabatrin intake on brain GABA activity as monitored by spectrally edited magnetic resonance spectroscopy and positron emission tomography. Magn Reson Imaging. 1999 Apr;17(3):417-25.@@Valdizan EM, Garcia AP, Armijo JA: Effects of increasing doses of vigabatrin on platelet gamma-aminobutyric acid-transaminase and brain gamma-aminobutyric acid in rats. Eur J Pharmacol. 1999 Mar 19;369(2):169-73."	Approved	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Enzyme Inhibitors; Butyrates; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; GABA Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Fatty Acids; Lipids; Acids, Acyclic; Fatty Acid Derivatives; Aminobutyrates; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Anticonvulsants"	NC(CCC(O)=O)C=C					570	46507052	D00535	PA10231		DAP000557	Vigabatrin	CHEMBL89598	14851
DB01082	Streptomycin	BE0001092	PADI4	Q9UM07	PADI4_HUMAN	inhibitor	17964793	"Knuckley B, Luo Y, Thompson PR: Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem. 2008 Jan 15;16(2):739-45. Epub 2007 Oct 13."	Approved; Vet_approved	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Agents that produce neuromuscular block (indirect); Glycosides; Anti-Bacterial Agents; Nephrotoxic agents; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; Protein Synthesis Inhibitors; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Alimentary Tract and Metabolism; Intestinal Antiinfectives; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Antibacterials for Systemic Use; Antimycobacterials; Anti-Infective Agents; Streptomycins; Narrow Therapeutic Index Drugs; Aminoglycoside Antibacterials"	CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O		Streptomycin Action Pathway	drug_action		8602	46506845		PA451512		DAP000144	Streptomycin	CHEMBL372795	10109
DB01083	Orlistat	BE0000959	FASN	P49327	FAS_HUMAN	inhibitor	15026345; 19381703; 17618296	"Kridel SJ, Axelrod F, Rozenkrantz N, Smith JW: Orlistat is a novel inhibitor of fatty acid synthase with antitumor activity. Cancer Res. 2004 Mar 15;64(6):2070-5.@@Dowling S, Cox J, Cenedella RJ: Inhibition of fatty acid synthase by Orlistat accelerates gastric tumor cell apoptosis in culture and increases survival rates in gastric tumor bearing mice in vivo. Lipids. 2009 Jun;44(6):489-98. doi: 10.1007/s11745-009-3298-2. Epub 2009 Apr 21.@@Pemble CW 4th, Johnson LC, Kridel SJ, Lowther WT: Crystal structure of the thioesterase domain of human fatty acid synthase inhibited by Orlistat. Nat Struct Mol Biol. 2007 Aug;14(8):704-9. Epub 2007 Jul 8."	Approved; Investigational	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Intestinal Lipase Inhibitor; Cytochrome P-450 Enzyme Inducers; Lipase Inhibitors; Peripherally Acting Antiobesity Products; Enzyme Inhibitors; Antiobesity Preparations, Excl. Diet Products; Anti-Obesity Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Lactones; Lipid Regulating Agents; Cytochrome P-450 CYP3A4 Inducers; Miscellaneous GI Drugs; Alimentary Tract and Metabolism"	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O					11884	46508309		PA164776864		DAP000053	Orlistat	CHEMBL175247	37925
DB01084	Emedastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7714409; 7714410; 9747899; 19558341; 15553105; 18714531; 11752352	"Sharif NA, Su SX, Yanni JM: Emedastine: a potent, high affinity histamine H1-receptor-selective antagonist for ocular use: receptor binding and second messenger studies. J Ocul Pharmacol. 1994 Winter;10(4):653-64.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Inagaki N, Sakurai T, Abe T, Musoh K, Kawasaki H, Tsunematsu M, Nagai H: Characterization of antihistamines using biphasic cutaneous reaction in BALB/c mice. Life Sci. 1998;63(11):PL 145-50.@@Murota H, Katayama I: Emedastine difumarate: a review of its potential ameliorating effect for tissue remodeling in allergic diseases. Expert Opin Pharmacother. 2009 Aug;10(11):1859-67. doi: 10.1517/14656560903078410.@@Corrado ME, Radicioni MM, Hartwig J, Assandri A, Oldeman HG, Mion A: Clinical study of the therapeutic efficacy and safety of emedastine difumarate versus terfenadine in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2004;54(10):660-5.@@Murota H, Bae S, Hamasaki Y, Maruyama R, Katayama I: Emedastine difumarate inhibits histamine-induced collagen synthesis in dermal fibroblasts. J Investig Allergol Clin Immunol. 2008;18(4):245-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Histamine H1 Inhibitors; Anti-Allergic Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Sensory Organs"	CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1		Emedastine H1-Antihistamine Action	drug_action		11749	46505109	D07890	PA164751802		DAP001067	Emedastine	CHEMBL594	28144
DB01085	Pilocarpine	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	10372814; 32310588; 28893976	"Wang H, Shi H, Lu Y, Yang B, Wang Z: Pilocarpine modulates the cellular electrical properties of mammalian hearts by activating a cardiac M3 receptor and a K+ current. Br J Pharmacol. 1999 Apr;126(8):1725-34. doi: 10.1038/sj.bjp.0702486.@@Panarese V, Moshirfar M: Pilocarpine. .@@Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11."	Approved; Investigational	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs	CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O					6600	46507475	D00525	PA450962		DAP001113	Pilocarpine	CHEMBL550	8328
DB01085	Pilocarpine	BE0000560	CHRM2	P08172	ACM2_HUMAN	agonist	32310588; 28893976	"Panarese V, Moshirfar M: Pilocarpine. .@@Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11."	Approved; Investigational	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs	CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O					6600	46507475	D00525	PA450962		DAP001113	Pilocarpine	CHEMBL550	8328
DB01085	Pilocarpine	BE0000247	CHRM5	P08912	ACM5_HUMAN	agonist	28893976	"Pronin AN, Wang Q, Slepak VZ: Teaching an Old Drug New Tricks: Agonism, Antagonism, and Biased Signaling of Pilocarpine through M3 Muscarinic Acetylcholine Receptor. Mol Pharmacol. 2017 Nov;92(5):601-612. doi: 10.1124/mol.117.109678. Epub 2017 Sep 11."	Approved; Investigational	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Miotics; Cholinergic Agents; Autonomic Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP3A4 Inhibitors; Parasympathomimetics; Muscarinic Agonists; Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Receptor Agonist; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Nervous System Agents; Cholinergic Agonists; Parasympathomemetic (Cholinergic) Agents; Ophthalmologicals; Neurotransmitter Agents; Nervous System; Sensory Organs	CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O					6600	46507475	D00525	PA450962		DAP001113	Pilocarpine	CHEMBL550	8328
DB01086	Benzocaine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	17139284; 17016423; 17967784; 19661462; 16174788	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ahern CA, Eastwood AL, Dougherty DA, Horn R: Electrostatic contributions of aromatic residues in the local anesthetic receptor of voltage-gated sodium channels. Circ Res. 2008 Jan 4;102(1):86-94. Epub 2007 Oct 25.@@Hanck DA, Nikitina E, McNulty MM, Fozzard HA, Lipkind GM, Sheets MF: Using lidocaine and benzocaine to link sodium channel molecular conformations to state-dependent antiarrhythmic drug affinity. Circ Res. 2009 Aug 28;105(5):492-9. doi: 10.1161/CIRCRESAHA.109.198572. Epub 2009 Aug 6.@@Lipkind GM, Fozzard HA: Molecular modeling of local anesthetic drug binding by voltage-gated sodium channels. Mol Pharmacol. 2005 Dec;68(6):1611-22. Epub 2005 Sep 20."	Approved; Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Increased Histamine Release; Cytochrome P-450 CYP2B6 Substrates; Cell-mediated Immunity; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Substrates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP2C19 Substrates; Aminobenzoates; Cytochrome P-450 CYP2E1 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Throat Preparations; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); Standardized Chemical Allergen; para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCOC(=O)C1=CC=C(N)C=C1		Benzocaine Action Pathway	drug_action		8903	46508891	D00552	PA448576		DAP001234	Benzocaine	CHEMBL278172	1399
DB01087	Primaquine	BE0002459	KRT7	P08729	K2C7_HUMAN	other/unknown	12711178; 20713019	"Heard CM, Monk BV, Modley AJ: Binding of primaquine to epidermal membranes and keratin. Int J Pharm. 2003 May 12;257(1-2):237-44.@@Basso LG, Rodrigues RZ, Naal RM, Costa-Filho AJ: Effects of the antimalarial drug primaquine on the dynamic structure of lipid model membranes. Biochim Biophys Acta. 2011 Jan;1808(1):55-64. doi: 10.1016/j.bbamem.2010.08.009.  Epub 2010 Aug 14."	Approved	Aminoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Antibiotics for Pneumocystis Pneumonia; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Cytochrome P-450 CYP3A Inhibitors; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Aminoquinolines; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Methemoglobinemia Associated Agents; Anti-Infective Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Quinolines; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1					3336	46508222		PA451103		DAP000216	Primaquine	CHEMBL506	8687
DB01088	Iloprost	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inducer	11551870; 12441759; 12952271; 2461561	"Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O						46507818		PA164746843		DAP000273	Iloprost	CHEMBL494	40138
DB01088	Iloprost	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inducer	11551870; 12441759; 12952271; 2461561	"Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O						46507818		PA164746843		DAP000273	Iloprost	CHEMBL494	40138
DB01088	Iloprost	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	inducer	11551870; 12441759; 12952271; 2461561	"Wilkens H, Guth A, Konig J, Forestier N, Cremers B, Hennen B, Bohm M, Sybrecht GW: Effect of inhaled iloprost plus oral sildenafil in patients with primary pulmonary hypertension. Circulation. 2001 Sep 11;104(11):1218-22.@@Ghofrani HA, Rose F, Schermuly RT, Olschewski H, Wiedemann R, Weissmann N, Schudt C, Tenor H, Seeger W, Grimminger F: Amplification of the pulmonary vasodilatory response to inhaled iloprost by subthreshold phosphodiesterase types 3 and 4 inhibition in severe pulmonary hypertension. Crit Care Med. 2002 Nov;30(11):2489-92.@@Schermuly RT, Leuchte H, Ghofrani HA, Weissmann N, Rose F, Kohstall M, Olschewski H, Schudt C, Grimminger F, Seeger W, Walmrath D: Zardaverine and aerosolised iloprost in a model of acute respiratory failure. Eur Respir J. 2003 Aug;22(2):342-7.@@Grant PG, Mannarino AF, Colman RW: cAMP-mediated phosphorylation of the low-Km cAMP phosphodiesterase markedly stimulates its catalytic activity. Proc Natl Acad Sci U S A. 1988 Dec;85(23):9071-5."	Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Eicosanoids; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Antiplatelet agents; Prostacyclin Analogues; Agents Causing Muscle Toxicity; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; OATP2B1/SLCO2B1 substrates; Prostaglandins, Synthetic; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O						46507818		PA164746843		DAP000273	Iloprost	CHEMBL494	40138
DB01090	Pentolinium	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	antagonist	7761270	"Cachelin AB, Rust G: Beta-subunits co-determine the sensitivity of rat neuronal nicotinic receptors to antagonists. Pflugers Arch. 1995 Jan;429(3):449-51."	Approved	N-alkylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines	Anticholinergic Agents; Cardiovascular Agents; Pyrrolidines; Nicotinic Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Ganglion Blockers; Cholinergic Agents; Peripheral Nervous System Agents; Autonomic Agents	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1						46507977		PA164777033		DAP001144	Pentolinium	CHEMBL1271	
DB01092	Ouabain	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	10541475; 10564763; 10567200; 10593655; 10593659; 11752352	"Mentre P, Debey P: An unexpected effect of an ouabain-sensitive ATPase activity on the amount of antigen-antibody complexes formed in situ. Cell Mol Biol (Noisy-le-grand). 1999 Sep;45(6):781-91.@@Qazzaz HM, El-Masri MA, Stolowich NJ, Valdes R Jr: Two biologically active isomers of dihydroouabain isolated from a commercial preparation. Biochim Biophys Acta. 1999 Nov 16;1472(3):486-97.@@Tao QF, Hollenberg NK, Graves SW: Sodium pump inhibition and regional expression of sodium pump alpha-isoforms in lens. Hypertension. 1999 Nov;34(5):1168-74.@@Hawke TJ, Willmets RG, Lindinger MI: K+ transport in resting rat hind-limb skeletal muscle in response to paraxanthine, a caffeine metabolite. Can J Physiol Pharmacol. 1999 Nov;77(11):835-43.@@Almotrefi AA, Basco C, Moorji A, Dzimiri N: Class I antiarrhythmic drug effects on ouabain binding to guinea pig cardiac Na+ -K+ ATPase. Can J Physiol Pharmacol. 1999 Nov;77(11):866-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"OATP1B1/SLCO1B1 Inhibitors; Glycosides; Enzyme Inhibitors; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; Cardiovascular Agents; Strophanthus Glycosides; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Cardanolides; Strophanthins; Cardenolides; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Cardiac Therapy; OATP1B3 substrates"	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O						46505479	D00112	PA163522138		DAP000465	Ouabain	CHEMBL222863	7762
DB01092	Ouabain	BE0005034	ATP1A2	P50993	AT1A2_HUMAN	inhibitor	12479229	"McDonough AA, Velotta JB, Schwinger RH, Philipson KD, Farley RA: The cardiac sodium pump: structure and function. Basic Res Cardiol. 2002;97 Suppl 1:I19-24."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"OATP1B1/SLCO1B1 Inhibitors; Glycosides; Enzyme Inhibitors; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; Cardiovascular Agents; Strophanthus Glycosides; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Cardanolides; Strophanthins; Cardenolides; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Cardiac Therapy; OATP1B3 substrates"	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O						46505479	D00112	PA163522138		DAP000465	Ouabain	CHEMBL222863	7762
DB01092	Ouabain	BE0005047	ATP1A3	P13637	AT1A3_HUMAN	inhibitor	24631656	"Weigand KM, Messchaert M, Swarts HG, Russel FG, Koenderink JB: Alternating Hemiplegia of Childhood mutations have a differential effect on Na(+),K(+)-ATPase activity and ouabain binding. Biochim Biophys Acta. 2014 Jul;1842(7):1010-6. doi: 10.1016/j.bbadis.2014.03.002. Epub 2014 Mar 12."	Approved	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"OATP1B1/SLCO1B1 Inhibitors; Glycosides; Enzyme Inhibitors; Carbohydrates; Protective Agents; OATP1B1/SLCO1B1 Substrates; Cardiac Glycosides; Cardiovascular Agents; Strophanthus Glycosides; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Cardanolides; Strophanthins; Cardenolides; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; Cardiac Therapy; OATP1B3 substrates"	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O						46505479	D00112	PA163522138		DAP000465	Ouabain	CHEMBL222863	7762
DB01093	Dimethyl sulfoxide	BE0003471	IL5RA	Q01344	IL5RA_HUMAN	downregulator	2070072	"Ingley E, Young IG: Characterization of a receptor for interleukin-5 on human eosinophils and the myeloid leukemia line HL-60. Blood. 1991 Jul 15;78(2):339-44."	Approved; Vet_approved	Sulfoxides	Organic compounds; Organosulfur compounds; Sulfoxides	"Cryoprotective Agents; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Topical Products for Joint and Muscular Pain; Protective Agents; Miscellaneous Therapeutic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Sulfoxides; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Solvents"	CS(C)=O					9745	46505009	D01043	PA449342			Dimethyl_sulfoxide	CHEMBL504	3455
DB01093	Dimethyl sulfoxide	BE0002439	MUC16	Q8WXI7	MUC16_HUMAN	downregulator	3167862	"Langdon SP, Hawkes MM, Hay FG, Lawrie SS, Schol DJ, Hilgers J, Leonard RC, Smyth JF: Effect of sodium butyrate and other differentiation inducers on poorly differentiated human ovarian adenocarcinoma cell lines. Cancer Res. 1988 Nov 1;48(21):6161-5."	Approved; Vet_approved	Sulfoxides	Organic compounds; Organosulfur compounds; Sulfoxides	"Cryoprotective Agents; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Topical Products for Joint and Muscular Pain; Protective Agents; Miscellaneous Therapeutic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Sulfoxides; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Solvents"	CS(C)=O					9745	46505009	D01043	PA449342			Dimethyl_sulfoxide	CHEMBL504	3455
DB01093	Dimethyl sulfoxide	BE0004689	MYC	P01106	MYC_HUMAN	downregulator	10215635	"Tinel M, Elkahwaji J, Robin MA, Fardel N, Descatoire V, Haouzi D, Berson A, Pessayre D: Interleukin-2 overexpresses c-myc and down-regulates cytochrome P-450 in rat hepatocytes. J Pharmacol Exp Ther. 1999 May;289(2):649-55."	Approved; Vet_approved	Sulfoxides	Organic compounds; Organosulfur compounds; Sulfoxides	"Cryoprotective Agents; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Topical Products for Joint and Muscular Pain; Protective Agents; Miscellaneous Therapeutic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Free Radical Scavengers; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Sulfoxides; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Urologicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Solvents"	CS(C)=O					9745	46505009	D01043	PA449342			Dimethyl_sulfoxide	CHEMBL504	3455
DB01094	Hesperetin	BE0000232	MTTP	P55157	MTP_HUMAN	antagonist	11352979	"Wilcox LJ, Borradaile NM, de Dreu LE, Huff MW: Secretion of hepatocyte apoB is inhibited by the flavonoids, naringenin and hesperetin, via reduced activity and expression of ACAT2 and MTP. J Lipid Res. 2001 May;42(5):725-34."	Experimental	4'-O-methylated flavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Glycosides; Carbohydrates; Flavanones; Cytochrome P-450 CYP1A2 Substrates; Pyrans; Flavonoids"	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1						46507998		PA164742902		DAP001306	Hesperetin	CHEMBL399121	1314255
DB01094	Hesperetin	BE0000105	SOAT1	P35610	SOAT1_HUMAN	inhibitor	11352979; 15114505	"Wilcox LJ, Borradaile NM, de Dreu LE, Huff MW: Secretion of hepatocyte apoB is inhibited by the flavonoids, naringenin and hesperetin, via reduced activity and expression of ACAT2 and MTP. J Lipid Res. 2001 May;42(5):725-34.@@Chung MY, Rho MC, Ko JS, Ryu SY, Jeune KH, Kim K, Lee HS, Kim YK: In vitro inhibition of diacylglycerol acyltransferase by prenylflavonoids from Sophora flavescens. Planta Med. 2004 Mar;70(3):258-60."	Experimental	4'-O-methylated flavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Glycosides; Carbohydrates; Flavanones; Cytochrome P-450 CYP1A2 Substrates; Pyrans; Flavonoids"	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1						46507998		PA164742902		DAP001306	Hesperetin	CHEMBL399121	1314255
DB01095	Fluvastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	11752352; 19249983; 10592235	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Podar K, Tai YT, Hideshima T, Vallet S, Richardson PG, Anderson KC: Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127. doi: 10.1517/14728210802676278 .@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved			"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Indoles; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors"	CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1		Fluvastatin Action Pathway	drug_action		11388	46505668	D07983	PA449688		DAP000554	Fluvastatin	CHEMBL2220442	41127
DB01095	Fluvastatin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	18381445	"Lin YC, Lin JH, Chou CW, Chang YF, Yeh SH, Chen CC: Statins increase p21 through inhibition of histone deacetylase activity and release of promoter-associated HDAC1/2. Cancer Res. 2008 Apr 1;68(7):2375-83. doi: 10.1158/0008-5472.CAN-07-5807."	Approved			"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Indoles; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Fatty Acids; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Lipid Regulating Agents; Cytochrome P-450 CYP2B6 Inducers; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Heptanoic Acids; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors"	CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1		Fluvastatin Action Pathway	drug_action		11388	46505668	D07983	PA449688		DAP000554	Fluvastatin	CHEMBL2220442	41127
DB01097	Leflunomide	BE0003721	AHR	P35869	AHR_HUMAN	agonist	20957046; 17327465	"O'Donnell EF, Saili KS, Koch DC, Kopparapu PR, Farrer D, Bisson WH, Mathew LK, Sengupta S, Kerkvliet NI, Tanguay RL, Kolluri SK: The anti-inflammatory drug leflunomide is an agonist of the aryl hydrocarbon receptor. PLoS One. 2010 Oct 1;5(10). pii: e13128. doi: 10.1371/journal.pone.0013128.@@Hu W, Sorrentino C, Denison MS, Kolaja K, Fielden MR: Induction of cyp1a1 is a nonspecific biomarker of aryl hydrocarbon receptor activation: results of large scale screening of pharmaceuticals and toxicants in vivo and in vitro. Mol Pharmacol. 2007 Jun;71(6):1475-86. Epub 2007 Feb 27."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Isoxazoles; Selective Immunosuppressants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Adjuvants; Antirheumatic Agents; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C9 Inhibitors	CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F					11980	46506013	D00749	PA450192		DAP000636	Leflunomide	CHEMBL960	27169
DB01097	Leflunomide	BE0000871	PTK2B	Q14289	FAK2_HUMAN	antagonist	19149483; 17604599; 17103252	"Pytel D, Sliwinski T, Poplawski T, Ferriola D, Majsterek I: Tyrosine kinase blockers: new hope for successful cancer therapy. Anticancer Agents Med Chem. 2009 Jan;9(1):66-76.@@Fukushima R, Kanamori S, Hirashiba M, Hishikawa A, Muranaka RI, Kaneto M, Nakamura K, Kato I: Teratogenicity study of the dihydroorotate-dehydrogenase inhibitor and protein tyrosine kinase inhibitor Leflunomide in mice. Reprod Toxicol. 2007 Nov-Dec;24(3-4):310-6. Epub 2007 May 18.@@Steeghs N, Nortier JW, Gelderblom H: Small molecule tyrosine kinase inhibitors in the treatment of solid tumors: an update of recent developments. Ann Surg Oncol. 2007 Feb;14(2):942-53. Epub 2006 Nov 14."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Immunologic Factors; Isoxazoles; Selective Immunosuppressants; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Adjuvants; Antirheumatic Agents; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C9 Inhibitors	CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F					11980	46506013	D00749	PA450192		DAP000636	Leflunomide	CHEMBL960	27169
DB01098	Rosuvastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	16128575; 12539816; 11752352; 11772327; 11501230; 12773150; 11256847; 12481202	"Carbonell T, Freire E: Binding thermodynamics of statins to HMG-CoA reductase. Biochemistry. 2005 Sep 6;44(35):11741-8.@@Chapman MJ, Caslake M, Packard C, McTaggart F: New dimension of statin action on ApoB atherogenicity. Clin Cardiol. 2003 Jan;26(1 Suppl 1):I7-10.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Davidson MH: Rosuvastatin: a highly efficacious statin for the treatment of dyslipidaemia. Expert Opin Investig Drugs. 2002 Jan;11(1):125-41.@@Hanefeld M: Clinical rationale for rosuvastatin, a potent new HMG-CoA reductase inhibitor. Int J Clin Pract. 2001 Jul-Aug;55(6):399-405.@@Holdgate GA, Ward WH, McTaggart F: Molecular mechanism for inhibition of 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase by rosuvastatin. Biochem Soc Trans. 2003 Jun;31(Pt 3):528-31.@@McTaggart F, Buckett L, Davidson R, Holdgate G, McCormick A, Schneck D, Smith G, Warwick M: Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor. Am J Cardiol. 2001 Mar 8;87(5A):28B-32B.@@Olsson AG, McTaggart F, Raza A: Rosuvastatin: a highly effective new HMG-CoA reductase inhibitor. Cardiovasc Drug Rev. 2002 Winter;20(4):303-28."	Approved	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Amides; Lipid Modifying Agents; Cytochrome P-450 CYP3A5 Inhibitors; Fluorobenzenes; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Hydrocarbons, Fluorinated; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Hydrocarbons, Halogenated; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Pyrimidines; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O		Rosuvastatin Action Pathway	drug_action		13123	46509022	D08492	PA134308647		DAP000555	Rosuvastatin	CHEMBL1496	301542
DB01098	Rosuvastatin	BE0000516	ITGAL	P20701	ITAL_HUMAN	inhibitory allosteric modulator	11385505; 15041742; 15822172	"Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Katano H, Pesnicak L, Cohen JI: Simvastatin induces apoptosis of Epstein-Barr virus (EBV)-transformed lymphoblastoid cell lines and delays development of EBV lymphomas. Proc Natl Acad Sci U S A. 2004 Apr 6;101(14):4960-5. Epub 2004 Mar 23.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748."	Approved	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Amides; Lipid Modifying Agents; Cytochrome P-450 CYP3A5 Inhibitors; Fluorobenzenes; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Hydrocarbons, Fluorinated; BSEP/ABCB11 Substrates; Drugs Used in Diabetes; Hydrocarbons, Halogenated; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Pyrimidines; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O		Rosuvastatin Action Pathway	drug_action		13123	46509022	D08492	PA134308647		DAP000555	Rosuvastatin	CHEMBL1496	301542
DB01099	Flucytosine	BE0000892	DNMT1	P26358	DNMT1_HUMAN	other	17139284; 17016423; 17897676; 8441637	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Shieh FK, Reich NO: AdoMet-dependent methyl-transfer: Glu119 is essential for DNA C5-cytosine methyltransferase M.HhaI. J Mol Biol. 2007 Nov 9;373(5):1157-68. Epub 2007 Aug 19.@@Wyszynski MW, Gabbara S, Kubareva EA, Romanova EA, Oretskaya TS, Gromova ES, Shabarova ZA, Bhagwat AS: The cysteine conserved among DNA cytosine methylases is required for methyl transfer, but not for specific DNA binding. Nucleic Acids Res. 1993 Jan 25;21(2):295-301."	Approved; Investigational	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Fluorouracil and prodrugs; Myelosuppressive Agents; Antimetabolites; Dermatologicals; Noxae; Antiinfectives for Systemic Use; Nucleoside Analog Antifungal; Antifungal Agents; Photosensitizing Agents; Antifungals for Dermatological Use; Drugs that are Mainly Renally Excreted; Cytosine; Drugs causing inadvertant photosensitivity; Pyrimidinones; Immunosuppressive Agents; Anti-Infective Agents; Antifungals for Topical Use; Pyrimidines; Toxic Actions; Antimycotics for Systemic Use	NC1=C(F)C=NC(=O)N1						46504735	D00323	PA449654		DAP001542	Flucytosine	CHEMBL1463	4451
DB01100	Pimozide	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11752352; 11873706; 12828573; 2378927; 8082693; 8301582; 7855217; 10503726	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Silva MR, Bernardi MM, Cruz-Casallas PE, Felicio LF: Pimozide injections into the Nucleus accumbens disrupt maternal behaviour in lactating rats. Pharmacol Toxicol. 2003 Jul;93(1):42-7.@@Muscat R, Sampson D, Willner P: Dopaminergic mechanism of imipramine action in an animal model of depression. Biol Psychiatry. 1990 Aug 1;28(3):223-30.@@Zarrindast MR, Heidari MR: On the mechanisms by which theophylline changes core body temperature in mice. Eur J Pharmacol. 1994 May 12;257(1-2):13-20.@@Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Murphy LL, Adrian BA, Kohli M: Inhibition of luteinizing hormone secretion by delta9-tetrahydrocannabinol in the ovariectomized rat: effect of pretreatment with neurotransmitter or neuropeptide receptor antagonists. Steroids. 1999 Sep;64(9):664-71."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Miscellaneous Antipsychotics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Dopamine Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anti-Dyskinesia Agents; Benzimidazoles"	FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1					7944	46507096	D00560	PA450965		DAP000316	Pimozide	CHEMBL1423	8331
DB01100	Pimozide	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	8301582	"Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP2D6 Inhibitors; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Dopamine D2 Receptor Antagonists; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Agents that reduce seizure threshold; Miscellaneous Antipsychotics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Dopamine Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Anti-Dyskinesia Agents; Benzimidazoles"	FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1					7944	46507096	D00560	PA450965		DAP000316	Pimozide	CHEMBL1423	8331
DB01103	Quinacrine	BE0001077	PLA2G6	O60733	PLPL9_HUMAN	inhibitor	10199854; 10229494; 10449625; 10653606; 11455568	"Nuttle LC, Ligon AL, Farrell KR, Hester RL: Inhibition of phospholipase A2 attenuates functional hyperemia in the hamster cremaster muscle. Am J Physiol. 1999 Apr;276(4 Pt 2):H1289-94.@@Sastry BV, Hemontolor ME, Vidaver PS, Sastry WS, Janson VE: Influence of halothane on phospholipase A2 and enzymatic methylations in the rat retinal membranes. J Ocul Pharmacol Ther. 1999 Apr;15(2):165-78.@@Lohmann CH, Sagun R Jr, Sylvia VL, Cochran DL, Dean DD, Boyan BD, Schwartz Z: Surface roughness modulates the response of MG63 osteoblast-like cells to 1,25-(OH)(2)D(3) through regulation of phospholipase A(2) activity and activation of protein kinase A. J Biomed Mater Res. 1999 Nov;47(2):139-51.@@Schwartz Z, Sylvia VL, Del Toro F, Hardin RR, Dean DD, Boyan BD: 24R,25-(OH)(2)D(3) mediates its membrane receptor-dependent effects on protein kinase C and alkaline phosphatase via phospholipase A(2) and cyclooxygenase-1 but not cyclooxygenase-2 in growth plate chondrocytes. J Cell Physiol. 2000 Mar;182(3):390-401.@@Sylvia VL, Del Toro F, Dean DD, Hardin RR, Schwartz Z, Boyan BD: Effects of 1alpha,25-(OH)(2)D(3) on rat growth zone chondrocytes are mediated via cyclooxygenase-1 and phospholipase A(2). J Cell Biochem Suppl. 2001;Suppl 36:32-45."	Investigational	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents"	CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2						46507828	D08179	PA164745551		DNC001181	Mepacrine	CHEMBL7568	9061
DB01103	Quinacrine	BE0000657	PLA2G4A	P47712	PA24A_HUMAN	inhibitor	12110374; 12582837; 9480923	"Hellstrand M, Eriksson E, Nilsson CL: Dopamine D(2) receptor-induced COX-2-mediated production of prostaglandin E(2) in D(2)-transfected Chinese hamster ovary cells without simultaneous administration of a Ca(2+)-mobilizing agent. Biochem Pharmacol. 2002 Jun 15;63(12):2151-8.@@Ong WY, Lu XR, Ong BK, Horrocks LA, Farooqui AA, Lim SK: Quinacrine abolishes increases in cytoplasmic phospholipase A2 mRNA levels in the rat hippocampus after kainate-induced neuronal injury. Exp Brain Res. 2003 Feb;148(4):521-4. Epub 2002 Dec 11.@@Kim BC, Kim JH: Exogenous C2-ceramide activates c-fos serum response element via Rac-dependent signalling pathway. Biochem J. 1998 Mar 1;330 ( Pt 2):1009-14."	Investigational	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents"	CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2						46507828	D08179	PA164745551		DNC001181	Mepacrine	CHEMBL7568	9061
DB01103	Quinacrine	BE0001081	PLCL1	Q15111	PLCL1_HUMAN	inhibitor	11207202; 1860838; 2551803; 7573467; 8469910	"Biondi C, Pavan B, Ferretti ME, Corradini FG, Neri LM, Vesce F: Formyl-methionyl-leucyl-phenylalanine induces prostaglandin E2 release from human amnion-derived WISH cells by phospholipase C-mediated [Ca+]i rise. Biol Reprod. 2001 Mar;64(3):865-70.@@Takuwa N, Kumada M, Yamashita K, Takuwa Y: Mechanisms of bombesin-induced arachidonate mobilization in Swiss 3T3 fibroblasts. J Biol Chem. 1991 Aug 5;266(22):14237-43.@@Otamiri T: Phospholipase C-mediated intestinal mucosal damage is ameliorated by quinacrine. Food Chem Toxicol. 1989 Jun;27(6):399-402.@@Noveral JP, Grunstein MM: Tachykinin regulation of airway smooth muscle cell proliferation. Am J Physiol. 1995 Sep;269(3 Pt 1):L339-43.@@Bjoro T, Englund K, Torjesen PA, Haug E: Inhibitors of the arachidonic acid metabolism attenuate the thyroliberin (TRH) stimulated prolactin production without modifying the production of inositolphosphates in GH4C1 pituitary cells. Scand J Clin Lab Invest. 1993 Apr;53(2):111-6."	Investigational	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antinematodal Agents; Antiplatyhelmintic Agents; Anticestodal Agents; Aminoacridines; Cytochrome P-450 Substrates; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Acridines; Antiparasitic Agents; Anti-Infective Agents"	CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2						46507828	D08179	PA164745551		DNC001181	Mepacrine	CHEMBL7568	9061
DB01104	Sertraline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	10575045; 12151556; 12647451; 12955294; 15606893; 9537821; 11243491; 16963794; 18751896	"Benmansour S, Cecchi M, Morilak DA, Gerhardt GA, Javors MA, Gould GG, Frazer A: Effects of chronic antidepressant treatments on serotonin transporter function, density, and mRNA level. J Neurosci. 1999 Dec 1;19(23):10494-501.@@Benmansour S, Owens WA, Cecchi M, Morilak DA, Frazer A: Serotonin clearance in vivo is altered to a greater extent by antidepressant-induced downregulation of the serotonin transporter than by acute blockade of this transporter. J Neurosci. 2002 Aug 1;22(15):6766-72.@@Borkowska A, Pilaczynska E, Araszkiewicz A, Rybakowski J: [The effect of sertraline on cognitive functions in patients with obsessive-compulsive disorder]. Psychiatr Pol. 2002 Nov-Dec;36(6 Suppl):289-95.@@Durham LK, Webb SM, Milos PM, Clary CM, Seymour AB: The serotonin transporter polymorphism, 5HTTLPR, is associated with a faster response time to sertraline in an elderly population with major depressive disorder. Psychopharmacology (Berl). 2004 Aug;174(4):525-9. Epub 2003 Sep 4.@@Chen F, Larsen MB, Neubauer HA, Sanchez C, Plenge P, Wiborg O: Characterization of an allosteric citalopram-binding site at the serotonin transporter. J Neurochem. 2005 Jan;92(1):21-8.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@David DJ, Bourin M, Hascoet M, Colombel MC, Baker GB, Jolliet P: Comparison of antidepressant activity in 4- and 40-week-old male mice in the forced swimming test: involvement of 5-HT1A and 5-HT1B receptors in old mice. Psychopharmacology (Berl). 2001 Feb;153(4):443-9.@@Rogoz Z, Skuza G: Mechanism of synergistic action following co-treatment with pramipexole and fluoxetine or sertraline in the forced swimming test in rats. Pharmacol Rep. 2006 Jul-Aug;58(4):493-500.@@Muneoka K, Shirayama Y, Takigawa M, Shioda S: Brain region-specific effects of short-term treatment with duloxetine, venlafaxine, milnacipran and sertraline on monoamine metabolism in rats. Neurochem Res. 2009 Mar;34(3):542-55. doi: 10.1007/s11064-008-9818-2. Epub 2008 Aug 27."	Approved	Tametralines	Organic compounds; Benzenoids; Tetralins; Tametralines	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Monoamine Oxidase A Substrates; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12					11168	46505341	D02360	PA451333		DAP000051	Sertraline	CHEMBL809	36437
DB01104	Sertraline	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	9537821; 18664165; 17187269; 15181382; 9808077	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Ghanizadeh A: Sertraline-associated hair loss. J Drugs Dermatol. 2008 Jul;7(7):693-4.@@Lemke MR: [Antidepressant effects of dopamine agonists. Experimental and clinical findings]. Nervenarzt. 2007 Jan;78(1):31-8.@@Nemeroff CB, Owens MJ: Pharmacologic differences among the SSRIs: focus on monoamine transporters and the HPA axis. CNS Spectr. 2004 Jun;9(6 Suppl 4):23-31.@@Goodnick PJ, Goldstein BJ: Selective serotonin reuptake inhibitors in affective disorders--I. Basic pharmacology. J Psychopharmacol. 1998;12(3 Suppl B):S5-20."	Approved	Tametralines	Organic compounds; Benzenoids; Tetralins; Tametralines	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Monoamine Oxidase A Substrates; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12					11168	46505341	D02360	PA451333		DAP000051	Sertraline	CHEMBL809	36437
DB01104	Sertraline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821; 23086945	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Sorensen L, Andersen J, Thomsen M, Hansen SM, Zhao X, Sandelin A, Stromgaard K, Kristensen AS: Interaction of antidepressants with the serotonin and norepinephrine transporters: mutational studies of the S1 substrate binding pocket. J Biol Chem. 2012 Dec 21;287(52):43694-707. doi: 10.1074/jbc.M112.342212. Epub 2012 Oct 19."	Approved	Tametralines	Organic compounds; Benzenoids; Tetralins; Tametralines	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Monoamine Oxidase A Substrates; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12					11168	46505341	D02360	PA451333		DAP000051	Sertraline	CHEMBL809	36437
DB01104	Sertraline	BE0004775	SLC29A4	Q7RTT9	S29A4_HUMAN		19022290; 17046718; 20012264	"Daws LC: Unfaithful neurotransmitter transporters: focus on serotonin uptake and implications for antidepressant efficacy. Pharmacol Ther. 2009 Jan;121(1):89-99. doi: 10.1016/j.pharmthera.2008.10.004. Epub 2008 Oct 29.@@Zhou M, Engel K, Wang J: Evidence for significant contribution of a newly identified monoamine transporter (PMAT) to serotonin uptake in the human brain. Biochem Pharmacol. 2007 Jan 1;73(1):147-54. doi: 10.1016/j.bcp.2006.09.008. Epub 2006 Sep 14.@@Haenisch B, Bonisch H: Interaction of the human plasma membrane monoamine transporter (hPMAT) with antidepressants and antipsychotics. Naunyn Schmiedebergs Arch Pharmacol. 2010 Jan;381(1):33-9. doi: 10.1007/s00210-009-0479-8. Epub 2009 Dec 10."	Approved	Tametralines	Organic compounds; Benzenoids; Tetralins; Tametralines	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2B6 Substrates; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Monoamine Oxidase A Substrates; Naphthalenes; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12					11168	46505341	D02360	PA451333		DAP000051	Sertraline	CHEMBL809	36437
DB01105	Sibutramine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	19475780; 15382615; 10929704; 15111248; 11152984; 10974319	"Tziomalos K, Krassas GE, Tzotzas T: The use of sibutramine in the management of obesity and related disorders: an update. Vasc Health Risk Manag. 2009;5(1):441-52.@@Gomis Barbara R: [Pharmacological treatment of obesity]. Rev Med Univ Navarra. 2004 Apr-Jun;48(2):63-5.@@Berke EM, Morden NE: Medical management of obesity. Am Fam Physician. 2000 Jul 15;62(2):419-26.@@Nakagawa T, Ukai K, Ohyama T, Gomita Y, Okamura H: Effects of sibutramine on the central dopaminergic system in rodents. Neurotox Res. 2001 Jul;3(3):235-47.@@Krahn LE, Moore WR, Altchuler SI: Narcolepsy and obesity: remission of severe cataplexy with sibutramine. Sleep Med. 2001 Jan;2(1):63-65.@@Balcioglu A, Wurtman RJ: Sibutramine, a serotonin uptake inhibitor, increases dopamine concentrations in rat striatal and hypothalamic extracellular fluid. Neuropharmacology. 2000 Sep;39(12):2352-9."	Approved; Illicit; Investigational; Withdrawn	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Appetite Depressants; Antidepressive Agents; Centrally Acting Antiobesity Products; Selective Serotonin Reuptake Inhibitors; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Stimulants; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Anti-Obesity Agents; Norepinephrine, Serotonin, and Dopamine Reuptake Inhibitor Anorectic; Dopamine Uptake Inhibitors; Appetite Suppression"	CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1					12050	46507740	D08513	PA451344		DCL000881	Sibutramine	CHEMBL1419	36514
DB01105	Sibutramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17544870; 17284621; 15685250; 16678551; 12417543; 15944869; 19475780; 18671470; 15382615; 10929704; 11152984	"Vazquez Roque MI, Camilleri M, Clark MM, Tepoel DA, Jensen MD, Graszer KM, Kalsy SA, Burton DD, Baxter KL, Zinsmeister AR: Alteration of gastric functions and candidate genes associated with weight reduction in response to sibutramine. Clin Gastroenterol Hepatol. 2007 Jul;5(7):829-37. Epub 2007 Jun 4.@@Heusser K, Engeli S, Tank J, Diedrich A, Wiesner S, Janke J, Luft FC, Jordan J: Sympathetic vasomotor tone determines blood pressure response to long-term sibutramine treatment. J Clin Endocrinol Metab. 2007 Apr;92(4):1560-3. Epub 2007 Feb 6.@@Jordan J, Scholze J, Matiba B, Wirth A, Hauner H, Sharma AM: Influence of Sibutramine on blood pressure: evidence from placebo-controlled trials. Int J Obes (Lond). 2005 May;29(5):509-16.@@Heusser K, Tank J, Diedrich A, Engeli S, Klaua S, Kruger N, Strauss A, Stoffels G, Luft FC, Jordan J: Influence of sibutramine treatment on sympathetic vasomotor tone in obese subjects. Clin Pharmacol Ther. 2006 May;79(5):500-8.@@Birkenfeld AL, Schroeder C, Boschmann M, Tank J, Franke G, Luft FC, Biaggioni I, Sharma AM, Jordan J: Paradoxical effect of sibutramine on autonomic cardiovascular regulation. Circulation. 2002 Nov 5;106(19):2459-65.@@Birkenfeld AL, Schroeder C, Pischon T, Tank J, Luft FC, Sharma AM, Jordan J: Paradoxical effect of sibutramine on autonomic cardiovascular regulation in obese hypertensive patients--sibutramine and blood pressure. Clin Auton Res. 2005 Jun;15(3):200-6.@@Tziomalos K, Krassas GE, Tzotzas T: The use of sibutramine in the management of obesity and related disorders: an update. Vasc Health Risk Manag. 2009;5(1):441-52.@@Sharma B, Henderson DC: Sibutramine: current status as an anti-obesity drug and its future perspectives. Expert Opin Pharmacother. 2008 Aug;9(12):2161-73. doi: 10.1517/14656566.9.12.2161 .@@Gomis Barbara R: [Pharmacological treatment of obesity]. Rev Med Univ Navarra. 2004 Apr-Jun;48(2):63-5.@@Berke EM, Morden NE: Medical management of obesity. Am Fam Physician. 2000 Jul 15;62(2):419-26.@@Krahn LE, Moore WR, Altchuler SI: Narcolepsy and obesity: remission of severe cataplexy with sibutramine. Sleep Med. 2001 Jan;2(1):63-65."	Approved; Illicit; Investigational; Withdrawn	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Appetite Depressants; Antidepressive Agents; Centrally Acting Antiobesity Products; Selective Serotonin Reuptake Inhibitors; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Stimulants; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Anti-Obesity Agents; Norepinephrine, Serotonin, and Dopamine Reuptake Inhibitor Anorectic; Dopamine Uptake Inhibitors; Appetite Suppression"	CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1					12050	46507740	D08513	PA451344		DCL000881	Sibutramine	CHEMBL1419	36514
DB01105	Sibutramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	11752352; 17284621; 15685250; 16678551; 12417543; 15944869; 19475780; 18671470; 15382615; 10929704; 11152984	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Heusser K, Engeli S, Tank J, Diedrich A, Wiesner S, Janke J, Luft FC, Jordan J: Sympathetic vasomotor tone determines blood pressure response to long-term sibutramine treatment. J Clin Endocrinol Metab. 2007 Apr;92(4):1560-3. Epub 2007 Feb 6.@@Jordan J, Scholze J, Matiba B, Wirth A, Hauner H, Sharma AM: Influence of Sibutramine on blood pressure: evidence from placebo-controlled trials. Int J Obes (Lond). 2005 May;29(5):509-16.@@Heusser K, Tank J, Diedrich A, Engeli S, Klaua S, Kruger N, Strauss A, Stoffels G, Luft FC, Jordan J: Influence of sibutramine treatment on sympathetic vasomotor tone in obese subjects. Clin Pharmacol Ther. 2006 May;79(5):500-8.@@Birkenfeld AL, Schroeder C, Boschmann M, Tank J, Franke G, Luft FC, Biaggioni I, Sharma AM, Jordan J: Paradoxical effect of sibutramine on autonomic cardiovascular regulation. Circulation. 2002 Nov 5;106(19):2459-65.@@Birkenfeld AL, Schroeder C, Pischon T, Tank J, Luft FC, Sharma AM, Jordan J: Paradoxical effect of sibutramine on autonomic cardiovascular regulation in obese hypertensive patients--sibutramine and blood pressure. Clin Auton Res. 2005 Jun;15(3):200-6.@@Tziomalos K, Krassas GE, Tzotzas T: The use of sibutramine in the management of obesity and related disorders: an update. Vasc Health Risk Manag. 2009;5(1):441-52.@@Sharma B, Henderson DC: Sibutramine: current status as an anti-obesity drug and its future perspectives. Expert Opin Pharmacother. 2008 Aug;9(12):2161-73. doi: 10.1517/14656566.9.12.2161 .@@Gomis Barbara R: [Pharmacological treatment of obesity]. Rev Med Univ Navarra. 2004 Apr-Jun;48(2):63-5.@@Berke EM, Morden NE: Medical management of obesity. Am Fam Physician. 2000 Jul 15;62(2):419-26.@@Krahn LE, Moore WR, Altchuler SI: Narcolepsy and obesity: remission of severe cataplexy with sibutramine. Sleep Med. 2001 Jan;2(1):63-65."	Approved; Illicit; Investigational; Withdrawn	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Appetite Depressants; Antidepressive Agents; Centrally Acting Antiobesity Products; Selective Serotonin Reuptake Inhibitors; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Stimulants; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Anti-Obesity Agents; Norepinephrine, Serotonin, and Dopamine Reuptake Inhibitor Anorectic; Dopamine Uptake Inhibitors; Appetite Suppression"	CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1					12050	46507740	D08513	PA451344		DCL000881	Sibutramine	CHEMBL1419	36514
DB01106	Levocabastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 10631382; 8647296; 9627096; 9551716; 11915520	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sugimoto Y, Iba Y, Ishizawa K, Suzuki G, Kamei C: Effects of levocabastine on lipid mediator release from guinea pig lung fragments. Acta Med Okayama. 1999 Dec;53(6):271-4.@@Chalon P, Vita N, Kaghad M, Guillemot M, Bonnin J, Delpech B, Le Fur G, Ferrara P, Caput D: Molecular cloning of a levocabastine-sensitive neurotensin binding site. FEBS Lett. 1996 May 20;386(2-3):91-4.@@Yamada M, Yamada M, Lombet A, Forgez P, Rostene W: Distinct functional characteristics of levocabastine sensitive rat neurotensin NT2 receptor expressed in Chinese hamster ovary cells. Life Sci. 1998;62(23):PL 375-80.@@Betancur C, Canton M, Burgos A, Labeeuw B, Gully D, Rostene W, Pelaprat D: Characterization of binding sites of a new neurotensin receptor antagonist, [3H]SR 142948A, in the rat brain. Eur J Pharmacol. 1998 Feb 5;343(1):67-77.@@Akiyoshi M, Shigeoka T, Torii S, Maki E, Enomoto S, Takahashi H, Hirano F: [Pharmacological and clinical properties of levocabastine hydrochloride (eye drop and nasal spray), a selective H1 antagonist]. Nihon Yakurigaku Zasshi. 2002 Mar;119(3):175-84."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"Potential QTc-Prolonging Agents; Anti-Allergic Agents; Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Central Nervous System Depressants; Ophthalmologicals; Histamine Antagonists; QTc Prolonging Agents; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine Agents; Nasal Preparations; Sensory Organs"	C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1		Levocabastine H1-Antihistamine Action	drug_action		923	46505909	D01717	PA164742988		DAP000335	Levocabastine	CHEMBL1615438	28627
DB01107	Methyprylon	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Illicit; Withdrawn	Piperidinediones	Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones	Piperidines; Piperidinedione Derivatives; Hypnotics and Sedatives; Central Nervous System Depressants; Nervous System; Psycholeptics	CCC1(CC)C(=O)NCC(C)C1=O						46506891	D01150	PA164746748		DAP000683	Methyprylon	CHEMBL1200790	6910
DB01108	Trilostane	BE0000123	ESR1	P03372	ESR1_HUMAN	allosteric modulator	17109615; 12209583; 16806905	"Puddefoot JR, Barker S, Vinson GP: Trilostane in advanced breast cancer. Expert Opin Pharmacother. 2006 Dec;7(17):2413-9.@@Puddefoot JR, Barker S, Glover HR, Malouitre SD, Vinson GP: Non-competitive steroid inhibition of oestrogen receptor functions. Int J Cancer. 2002 Sep 1;101(1):17-22.@@Barker S, Malouitre SD, Glover HR, Puddefoot JR, Vinson GP: Comparison of effects of 4-hydroxy tamoxifen and trilostane on oestrogen-regulated gene expression in MCF-7 cells: up-regulation of oestrogen receptor beta. J Steroid Biochem Mol Biol. 2006 Aug;100(4-5):141-51. Epub 2006 Jun 27."	Approved; Investigational; Vet_approved; Withdrawn	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Enzyme Inhibitors; Antiadrenal Preparations; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Abortifacient Agents; Steroids; Antineoplastic Agents; Hormones; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Anticorticosteroids; Androstanols; Androstanes; Immunosuppressive Agents; Corticosteroids; Gonadal Steroid Hormones; Narrow Therapeutic Index Drugs; Oxidative Phosphorylation Coupling Factors; Testosterone Congeners; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N					7334	46507062	D01180	PA164748507		DAP000148	Trilostane	CHEMBL1200907	38668
DB01108	Trilostane	BE0000792	ESR2	Q92731	ESR2_HUMAN	allosteric modulator	17109615; 12209583; 16806905	"Puddefoot JR, Barker S, Vinson GP: Trilostane in advanced breast cancer. Expert Opin Pharmacother. 2006 Dec;7(17):2413-9.@@Puddefoot JR, Barker S, Glover HR, Malouitre SD, Vinson GP: Non-competitive steroid inhibition of oestrogen receptor functions. Int J Cancer. 2002 Sep 1;101(1):17-22.@@Barker S, Malouitre SD, Glover HR, Puddefoot JR, Vinson GP: Comparison of effects of 4-hydroxy tamoxifen and trilostane on oestrogen-regulated gene expression in MCF-7 cells: up-regulation of oestrogen receptor beta. J Steroid Biochem Mol Biol. 2006 Aug;100(4-5):141-51. Epub 2006 Jun 27."	Approved; Investigational; Vet_approved; Withdrawn	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Enzyme Inhibitors; Antiadrenal Preparations; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Abortifacient Agents; Steroids; Antineoplastic Agents; Hormones; Abortifacient Agents, Steroidal; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Anticorticosteroids; Androstanols; Androstanes; Immunosuppressive Agents; Corticosteroids; Gonadal Steroid Hormones; Narrow Therapeutic Index Drugs; Oxidative Phosphorylation Coupling Factors; Testosterone Congeners; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N					7334	46507062	D01180	PA164748507		DAP000148	Trilostane	CHEMBL1200907	38668
DB01109	Heparin	BE0001159	SELP	P16109	LYAM3_HUMAN	inhibitor	17458940; 17549299; 17629851; 17651117; 15995351; 9466983; 7694675	"Simonis D, Fritzsche J, Alban S, Bendas G: Kinetic analysis of heparin and glucan sulfates binding to P-selectin and its impact on the general understanding of selectin inhibition. Biochemistry. 2007 May 22;46(20):6156-64. Epub 2007 Apr 26.@@Maugeri N, Di Fabio G, Barbanti M, de Gaetano G, Donati MB, Cerletti C: Parnaparin, a low-molecular-weight heparin, prevents P-selectin-dependent formation of platelet-leukocyte aggregates in human whole blood. Thromb Haemost. 2007 Jun;97(6):965-73.@@Simonis D, Christ K, Alban S, Bendas G: Affinity and kinetics of different heparins binding to P- and L-selectin. Semin Thromb Hemost. 2007 Jul;33(5):534-9.@@Asberg AE, Videm V: Inhibition of platelet receptors involved in neutrophil-platelet interaction in model cardiopulmonary bypass. Artif Organs. 2007 Aug;31(8):617-26.@@Gao Y, Li N, Fei R, Chen Z, Zheng S, Zeng X: P-Selectin-mediated acute inflammation can be blocked by chemically modified heparin, RO-heparin. Mol Cells. 2005 Jun 30;19(3):350-5.@@Koenig A, Norgard-Sumnicht K, Linhardt R, Varki A: Differential interactions of heparin and heparan sulfate glycosaminoglycans with the selectins. Implications for the use of unfractionated and low molecular weight heparins as therapeutic agents. J Clin Invest. 1998 Feb 15;101(4):877-89.@@Nelson RM, Cecconi O, Roberts WG, Aruffo A, Linhardt RJ, Bevilacqua MP: Heparin oligosaccharides bind L- and P-selectin and inhibit acute inflammation. Blood. 1993 Dec 1;82(11):3253-8."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0000326	FGF4	P08620	FGF4_HUMAN		11486033	"Bellosta P, Iwahori A, Plotnikov AN, Eliseenkova AV, Basilico C, Mohammadi M: Identification of receptor and heparin binding sites in fibroblast growth factor 4 by structure-based mutagenesis. Mol Cell Biol. 2001 Sep;21(17):5946-57."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0002131	FGFR1	P11362	FGFR1_HUMAN		15096041	"Ibrahimi OA, Zhang F, Hrstka SC, Mohammadi M, Linhardt RJ: Kinetic model for FGF, FGFR, and proteoglycan signal transduction complex assembly. Biochemistry. 2004 Apr 27;43(16):4724-30."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0000689	FGF1	P05230	FGF1_HUMAN		16219767	"Robinson CJ, Harmer NJ, Goodger SJ, Blundell TL, Gallagher JT: Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2:2:1 FGF1.FGFR2c.heparin ternary complexes. J Biol Chem. 2005 Dec 23;280(51):42274-82. Epub 2005 Oct 11."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0000748	FGFR2	P21802	FGFR2_HUMAN		16219767	"Robinson CJ, Harmer NJ, Goodger SJ, Blundell TL, Gallagher JT: Cooperative dimerization of fibroblast growth factor 1 (FGF1) upon a single heparin saccharide may drive the formation of 2:2:1 FGF1.FGFR2c.heparin ternary complexes. J Biol Chem. 2005 Dec 23;280(51):42274-82. Epub 2005 Oct 11."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0001015	FGF2	P09038	FGF2_HUMAN		17524524	"Rose K, Kriha D, Pallast S, Junker V, Klumpp S, Krieglstein J: Basic fibroblast growth factor: lysine 134 is essential for its neuroprotective activity. Neurochem Int. 2007 Jul;51(1):25-31. Epub 2007 Apr 19."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01109	Heparin	BE0001121	HGF	P14210	HGF_HUMAN		9083085	"Sakata H, Stahl SJ, Taylor WG, Rosenberg JM, Sakaguchi K, Wingfield PT, Rubin JS: Heparin binding and oligomerization of hepatocyte growth factor/scatter factor isoforms. Heparan sulfate glycosaminoglycan requirement for Met binding and signaling. J Biol Chem. 1997 Apr 4;272(14):9457-63."	Approved; Investigational			Carbohydrates; Heparins or Heparinoids for Topical Use; Anticoagulants; Cardiovascular Agents; Miscellaneous Therapeutic Agents; Agents causing hyperkalemia; Thyroxine-binding globulin substrates; Blood and Blood Forming Organs; Heparin and similars; Glycosaminoglycans; Heparin Group; Ophthalmologicals; Polysaccharides; Hematologic Agents; Antivaricose Therapy; Narrow Therapeutic Index Drugs; Fibrin Modulating Agents; Sensory Organs; Vasoprotectives			Fc Epsilon Receptor I Signaling in Mast Cells; Heparin Action Pathway	signaling; drug_action		9045	46507594		PA449855		DAP000189	Heparin	CHEMBL1909300	5224
DB01110	Miconazole	BE0000263	NOS3	P29474	NOS3_HUMAN	inhibitor	7683652; 7518297; 9873034; 7536941	"Wolff DJ, Datto GA, Samatovicz RA: The dual mode of inhibition of calmodulin-dependent nitric-oxide synthase by antifungal imidazole agents. J Biol Chem. 1993 May 5;268(13):9430-6.@@Bogle RG, Whitley GS, Soo SC, Johnstone AP, Vallance P: Effect of anti-fungal imidazoles on mRNA levels and enzyme activity of inducible nitric oxide synthase. Br J Pharmacol. 1994 Apr;111(4):1257-61.@@Sennequier N, Wolan D, Stuehr DJ: Antifungal imidazoles block assembly of inducible NO synthase into an active dimer. J Biol Chem. 1999 Jan 8;274(2):930-8.@@Dudek RR, Conforto A, Pinto V, Wildhirt S, Suzuki H: Inhibition of endothelial nitric oxide synthase by cytochrome P-450 reductase inhibitors. Proc Soc Exp Biol Med. 1995 May;209(1):60-4."	Approved; Investigational; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					11249	46506017	D00882	PA450494		DAP000154	Miconazole	CHEMBL91	6932
DB01110	Miconazole	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	17998298	"Svecova L, Vrzal R, Burysek L, Anzenbacherova E, Cerveny L, Grim J, Trejtnar F, Kunes J, Pour M, Staud F, Anzenbacher P, Dvorak Z, Pavek P: Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug Metab Dispos. 2008 Feb;36(2):339-48. Epub 2007 Nov 12."	Approved; Investigational; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					11249	46506017	D00882	PA450494		DAP000154	Miconazole	CHEMBL91	6932
DB01110	Miconazole	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	inhibitor	8760033; 1376313	"Hatton CJ, Peers C: Effects of cytochrome P-450 inhibitors on ionic currents in isolated rat type I carotid body cells. Am J Physiol. 1996 Jul;271(1 Pt 1):C85-92.@@Alvarez J, Montero M, Garcia-Sancho J: High affinity inhibition of Ca(2+)-dependent K+ channels by cytochrome P-450 inhibitors. J Biol Chem. 1992 Jun 15;267(17):11789-93."	Approved; Investigational; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					11249	46506017	D00882	PA450494		DAP000154	Miconazole	CHEMBL91	6932
DB01110	Miconazole	BE0009847	KCNA1	Q13303	KCAB2_HUMAN	inhibitor	8760033; 15778703; 22975497	"Hatton CJ, Peers C: Effects of cytochrome P-450 inhibitors on ionic currents in isolated rat type I carotid body cells. Am J Physiol. 1996 Jul;271(1 Pt 1):C85-92.@@Kikuchi K, Nagatomo T, Abe H, Kawakami K, Duff HJ, Makielski JC, January CT, Nakashima Y: Blockade of HERG cardiac K+ current by antifungal drug miconazole. Br J Pharmacol. 2005 Mar;144(6):840-8.@@Sung DJ, Kim JG, Won KJ, Kim B, Shin HC, Park JY, Bae YM: Blockade of K+ and Ca2+ channels by azole antifungal agents in neonatal rat ventricular myocytes. Biol Pharm Bull. 2012;35(9):1469-75. doi: 10.1248/bpb.b12-00002."	Approved; Investigational; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					11249	46506017	D00882	PA450494		DAP000154	Miconazole	CHEMBL91	6932
DB01110	Miconazole	BE0009739	CACNA1C	O00305	CACB4_HUMAN	inhibitor	22975497	"Sung DJ, Kim JG, Won KJ, Kim B, Shin HC, Park JY, Bae YM: Blockade of K+ and Ca2+ channels by azole antifungal agents in neonatal rat ventricular myocytes. Biol Pharm Bull. 2012;35(9):1469-75. doi: 10.1248/bpb.b12-00002."	Approved; Investigational; Vet_approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Dermatologicals; Hormone Antagonists; Cytochrome P-450 CYP2C8 Inhibitors; Antifungal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP2A6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Imidazole and Triazole Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Stomatological Preparations; Cytochrome P-450 CYP3A4 Inhibitors; Otologicals; P-glycoprotein inhibitors; Intestinal Antiinfectives; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors (strong); Antifungal Agents (Vaginal); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Steroid Synthesis Inhibitors; Vaginal Creams, Foams, and Jellies; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Gynecological Antiinfectives and Antiseptics; Chemically-Induced Disorders; Sensory Organs; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					11249	46506017	D00882	PA450494		DAP000154	Miconazole	CHEMBL91	6932
DB01113	Papaverine	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 12646997; 19231363	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Xin ZC, Kim EK, Lin CS, Liu WJ, Tian L, Yuan YM, Fu J: Effects of icariin on cGMP-specific PDE5 and cAMP-specific PDE4 activities. Asian J Androl. 2003 Mar;5(1):15-8.@@Zhu S, Gan Z, Li Z, Liu Y, Yang X, Deng P, Xie Y, Yu M, Liao H, Zhao Y, Zhao L, Liao F: The measurement of cyclic nucleotide phosphodiesterase 4 activities via the quantification of inorganic phosphate with malachite green. Anal Chim Acta. 2009 Mar 16;636(1):105-10. doi: 10.1016/j.aca.2009.01.035. Epub 2009 Jan 22."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction"	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1					2957	46508003	D07425	PA164745550		DAP000959	Papaverine	CHEMBL19224	7895
DB01113	Papaverine	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN	inhibitor	19066855	"Weber M, Breier M, Ko D, Thangaraj N, Marzan DE, Swerdlow NR: Evaluating the antipsychotic profile of the preferential PDE10A inhibitor, papaverine. Psychopharmacology (Berl). 2009 May;203(4):723-35. doi: 10.1007/s00213-008-1419-x. Epub 2008 Dec 9."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction"	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1					2957	46508003	D07425	PA164745550		DAP000959	Papaverine	CHEMBL19224	7895
DB01113	Papaverine	BE0009789	PDE1B	O76074	PDE5A_HUMAN	inhibitor	12215855	"Uckert S, Stief CG, Lietz B, Burmester M, Jonas U, Machtens SA: Possible role of bioactive peptides in the regulation of human detrusor smooth muscle - functional effects in vitro and immunohistochemical presence. World J Urol. 2002 Sep;20(4):244-9. doi: 10.1007/s00345-002-0287-y. Epub 2002 Jul 23."	Approved; Investigational	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"QTc Prolonging Agents; Enzyme Inhibitors; Hypotensive Agents; Cardiovascular Agents; Urological Agents; Alkaloids; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Urologicals; Isoquinolines; Genitourinary Agents; Phosphodiesterase Inhibitors; Miscellaneous Vasodilatating Agents; Benzylisoquinolines; Drugs for Functional Gastrointestinal Disorders; Moderate Risk QTc-Prolonging Agents; Opiate Alkaloids; Drugs Used in Erectile Dysfunction"	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1					2957	46508003	D07425	PA164745550		DAP000959	Papaverine	CHEMBL19224	7895
DB01114	Chlorpheniramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 11736858; 8001268; 11640974; 7648771; 1686208; 1360248	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tagawa M, Kano M, Okamura N, Higuchi M, Matsuda M, Mizuki Y, Arai H, Iwata R, Fujii T, Komemushi S, Ido T, Itoh M, Sasaki H, Watanabe T, Yanai K: Neuroimaging of histamine H1-receptor occupancy in human brain by positron emission tomography (PET): a comparative study of ebastine, a second-generation antihistamine, and (+)-chlorpheniramine, a classical antihistamine. Br J Clin Pharmacol. 2001 Nov;52(5):501-9.@@Salata JJ, Jurkiewicz NK, Wallace AA, Stupienski RF 3rd, Guinosso PJ Jr, Lynch JJ Jr: Cardiac electrophysiological actions of the histamine H1-receptor antagonists astemizole and terfenadine compared with chlorpheniramine and pyrilamine. Circ Res. 1995 Jan;76(1):110-9.@@Hasenohrl RU, Kuhlen A, Frisch C, Galosi R, Brandao ML, Huston JP: Comparison of intra-accumbens injection of histamine with histamine H1-receptor antagonist chlorpheniramine in effects on reinforcement and memory parameters. Behav Brain Res. 2001 Oct 15;124(2):203-11.@@Yasuda SU, Wellstein A, Likhari P, Barbey JT, Woosley RL: Chlorpheniramine plasma concentration and histamine H1-receptor occupancy. Clin Pharmacol Ther. 1995 Aug;58(2):210-20.@@Nicholson AN, Pascoe PA, Turner C, Ganellin CR, Greengrass PM, Casy AF, Mercer AD: Sedation and histamine H1-receptor antagonism: studies in man with the enantiomers of chlorpheniramine and dimethindene. Br J Pharmacol. 1991 Sep;104(1):270-6.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; QTc Prolonging Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Propylamine Derivatives; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Substituted Alkylamines; Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Chlorphenamine H1-Antihistamine Action	drug_action		10259	46508253	D07398	PA448960		DAP000336	Chlorphenamine	CHEMBL505	2400
DB01114	Chlorpheniramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; QTc Prolonging Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Propylamine Derivatives; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Substituted Alkylamines; Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Chlorphenamine H1-Antihistamine Action	drug_action		10259	46508253	D07398	PA448960		DAP000336	Chlorphenamine	CHEMBL505	2400
DB01114	Chlorpheniramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; QTc Prolonging Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Propylamine Derivatives; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Substituted Alkylamines; Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Chlorphenamine H1-Antihistamine Action	drug_action		10259	46508253	D07398	PA448960		DAP000336	Chlorphenamine	CHEMBL505	2400
DB01114	Chlorpheniramine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; OCT2 Inhibitors; QTc Prolonging Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Propylamine Derivatives; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Serotonin Agents; Substituted Alkylamines; Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Cytochrome P-450 CYP3A7 Substrates	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Chlorphenamine H1-Antihistamine Action	drug_action		10259	46508253	D07398	PA448960		DAP000336	Chlorphenamine	CHEMBL505	2400
DB01115	Nifedipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 9846638; 19029287	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01115	Nifedipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	11160515; 19029287	"Bell DC, Butcher AJ, Berrow NS, Page KM, Brust PF, Nesterova A, Stauderman KA, Seabrook GR, Nurnberg B, Dolphin AC: Biophysical properties, pharmacology, and modulation of human, neuronal L-type (alpha(1D), Ca(V)1.3) voltage-dependent calcium currents. J Neurophysiol. 2001 Feb;85(2):816-27.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01115	Nifedipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	11752352; 25966690	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01115	Nifedipine	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	21291553	"Krasowski MD, Ai N, Hagey LR, Kollitz EM, Kullman SW, Reschly EJ, Ekins S: The evolution of farnesoid X, vitamin D, and pregnane X receptors: insights from the green-spotted pufferfish (Tetraodon nigriviridis) and other non-mammalian species. BMC Biochem. 2011 Feb 3;12:5. doi: 10.1186/1471-2091-12-5."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01115	Nifedipine	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	inhibitor	18096604	"Bett GC, Rasmusson RL: Modification of K+ channel-drug interactions by ancillary subunits. J Physiol. 2008 Feb 15;586(4):929-50. Epub 2007 Dec 20."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01115	Nifedipine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	inhibitor	16899990; 28611661	"Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Godfraind T: Discovery and Development of Calcium Channel Blockers. Front Pharmacol. 2017 May 29;8:286. doi: 10.3389/fphar.2017.00286. eCollection 2017."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01118	Amiodarone	BE0009629	KCNH2	Q9NS40	KCNH7_HUMAN	inhibitor	18505444; 14754422; 18604229	"Wang SP, Wang JA, Luo RH, Cui WY, Wang H: Potassium channel currents in rat mesenchymal stem cells and their possible roles in cell proliferation. Clin Exp Pharmacol Physiol. 2008 Sep;35(9):1077-84. doi: 10.1111/j.1440-1681.2008.04964.x. Epub 2008 May 25.@@Varro A, Biliczki P, Iost N, Virag L, Hala O, Kovacs P, Matyus P, Papp JG: Theoretical possibilities for the development of novel antiarrhythmic drugs. Curr Med Chem. 2004 Jan;11(1):1-11.@@Waldhauser KM, Brecht K, Hebeisen S, Ha HR, Konrad D, Bur D, Krahenbuhl S: Interaction with the hERG channel and cytotoxicity of amiodarone and amiodarone analogues. Br J Pharmacol. 2008 Oct;155(4):585-95. doi: 10.1038/bjp.2008.287. Epub 2008 Jul  7."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	1281221; 20221978; 7532747	"Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Lewalter T, Pittrow D, Goette A, Kirch W, Hohnloser S: [Clinical pharmacology and electrophysiological properties of dronedarone]. Dtsch Med Wochenschr. 2010 Mar;135 Suppl 2:S43-7. doi: 10.1055/s-0030-1249208. Epub 2010 Mar 10.@@Lubic SP, Nguyen KP, Dave B, Giacomini JC: Antiarrhythmic agent amiodarone possesses calcium channel blocker properties. J Cardiovasc Pharmacol. 1994 Nov;24(5):707-14. doi: 10.1097/00005344-199424050-00004."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0009739	CACNA1C	O00305	CACB4_HUMAN	inhibitor	1281221; 20221978; 7532747; 10960072	"Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Lewalter T, Pittrow D, Goette A, Kirch W, Hohnloser S: [Clinical pharmacology and electrophysiological properties of dronedarone]. Dtsch Med Wochenschr. 2010 Mar;135 Suppl 2:S43-7. doi: 10.1055/s-0030-1249208. Epub 2010 Mar 10.@@Lubic SP, Nguyen KP, Dave B, Giacomini JC: Antiarrhythmic agent amiodarone possesses calcium channel blocker properties. J Cardiovasc Pharmacol. 1994 Nov;24(5):707-14. doi: 10.1097/00005344-199424050-00004.@@Watanabe Y, Kimura J: Inhibitory effect of amiodarone on Na(+)/Ca(2+) exchange current in guinea-pig cardiac myocytes. Br J Pharmacol. 2000 Sep;131(1):80-4. doi: 10.1038/sj.bjp.0703527."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0009811	THRA	P10828	THB_HUMAN	antagonist	11806713; 2910914; 23148177	"Carlsson B, Singh BN, Temciuc M, Nilsson S, Li YL, Mellin C, Malm J: Synthesis and preliminary characterization of a novel antiarrhythmic compound (KB130015) with an improved toxicity profile compared with amiodarone. J Med Chem. 2002 Jan 31;45(3):623-30.@@Norman MF, Lavin TN: Antagonism of thyroid hormone action by amiodarone in rat pituitary tumor cells. J Clin Invest. 1989 Jan;83(1):306-13. doi: 10.1172/JCI113874.@@Narayana SK, Woods DR, Boos CJ: Management of amiodarone-related thyroid problems. Ther Adv Endocrinol Metab. 2011 Jun;2(3):115-26. doi: 10.1177/2042018811398516."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	24489787; 21123845	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014.@@Song M, Kim YJ, Ryu JC: Phospholipidosis induced by PPARgamma signaling in human bronchial epithelial (BEAS-2B) cells exposed to amiodarone. Toxicol Sci. 2011 Mar;120(1):98-108. doi: 10.1093/toxsci/kfq361. Epub 2010 Dec 1."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	24489787; 15265979	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014.@@McCarthy TC, Pollak PT, Hanniman EA, Sinal CJ: Disruption of hepatic lipid homeostasis in mice after amiodarone treatment is associated with peroxisome proliferator-activated receptor-alpha target gene activation. J Pharmacol Exp Ther. 2004 Dec;311(3):864-73. doi: 10.1124/jpet.104.072785. Epub 2004 Jul 20."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01118	Amiodarone	BE0009812	PPARGC1B	Q86YN6	PRGC2_HUMAN	agonist	24489787	"Szalowska E, van der Burg B, Man HY, Hendriksen PJ, Peijnenburg AA: Model steatogenic compounds (amiodarone, valproic acid, and tetracycline) alter lipid metabolism by different mechanisms in mouse liver slices. PLoS One. 2014 Jan 29;9(1):e86795. doi: 10.1371/journal.pone.0086795. eCollection 2014."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Sodium Channel Blockers; Cytochrome P-450 CYP2A6 Inhibitors (moderate); alpha-Galactosidase, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2A6 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Potassium Channel Blockers; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antiarrhythmics, Class III; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2		Amiodarone Action Pathway	drug_action		1400	46507387	D02910	PA448383		DAP000496	Amiodarone	CHEMBL633	703
DB01120	Gliclazide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	binder	11078468; 11078469; 11484080; 11574406; 12475777	"Gribble FM, Ashcroft FM: Sulfonylurea sensitivity of adenosine triphosphate-sensitive potassium channels from beta cells and extrapancreatic tissues. Metabolism. 2000 Oct;49(10 Suppl 2):3-6.@@Harrower A: Gliclazide modified release: from once-daily administration to 24-hour blood glucose control. Metabolism. 2000 Oct;49(10 Suppl 2):7-11.@@Lawrence CL, Proks P, Rodrigo GC, Jones P, Hayabuchi Y, Standen NB, Ashcroft FM: Gliclazide produces high-affinity block of KATP channels in mouse isolated pancreatic beta cells but not rat heart or arterial smooth muscle cells. Diabetologia. 2001 Aug;44(8):1019-25.@@Reimann F, Ashcroft FM, Gribble FM: Structural basis for the interference between nicorandil and sulfonylurea action. Diabetes. 2001 Oct;50(10):2253-9.@@Proks P, Reimann F, Green N, Gribble F, Ashcroft F: Sulfonylurea stimulation of insulin secretion. Diabetes. 2002 Dec;51 Suppl 3:S368-76."	Approved			Insulin Secretagogues; Amides; Benzene Derivatives; Blood Glucose Lowering Agents; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Sulfonylureas; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1		Gliclazide Action Pathway	drug_action		1327	46505475	D01599	PA10892		DAP000522	Gliclazide	CHEMBL427216	4816
DB01121	Phenacemide	BE0000141	SCN1A	P35498	SCN1A_HUMAN	inhibitor	17139284; 17016423; 3959032; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wong MG, Defina JA, Andrews PR: Conformational analysis of clinically active anticonvulsant drugs. J Med Chem. 1986 Apr;29(4):562-72.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Acetamides; Central Nervous System Depressants; Nervous System; Amides; Benzene Derivatives; Anticonvulsants	NC(=O)NC(=O)CC1=CC=CC=C1						46508400	D00504	PA164745309		DAP000501	Phenacemide	CHEMBL918	33253
DB01124	Tolbutamide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	18220763	"Mizuno CS, Chittiboyina AG, Kurtz TW, Pershadsingh HA, Avery MA: Type 2 diabetes and oral antihyperglycemic drugs. Curr Med Chem. 2008;15(1):61-74."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Insulin Secretagogues; Amides; Benzene Derivatives; OAT1/SLC22A6 inhibitors; Blood Glucose Lowering Agents; Tests for Diabetes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Oral Hypoglycemics; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Sulfonamides; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Diagnostic Agents; Sulfonylureas; OATP2B1/SLCO2B1 substrates; Cytochrome P-450 CYP2C18 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Benzenesulfonamides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1					9563	46508421	D00380	PA451718		DAP000136	Tolbutamide	CHEMBL782	10635
DB01126	Dutasteride	BE0000539	SRD5A1	P18405	S5A1_HUMAN	inhibitor	11752352; 16818707; 20426708; 19879888; 19707263; 19543428; 18318566; 19200641; 19091347	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Xu Y, Dalrymple SL, Becker RE, Denmeade SR, Isaacs JT: Pharmacologic basis for the enhanced efficacy of dutasteride against prostatic cancers. Clin Cancer Res. 2006 Jul 1;12(13):4072-9.@@Rathnayake D, Sinclair R: Male androgenetic alopecia. Expert Opin Pharmacother. 2010 Jun;11(8):1295-304. doi: 10.1517/14656561003752730.@@Aggarwal S, Thareja S, Verma A, Bhardwaj TR, Kumar M: An overview on 5alpha-reductase inhibitors. Steroids. 2010 Feb;75(2):109-53. doi: 10.1016/j.steroids.2009.10.005. Epub 2009 Oct 30.@@Smith AB, Carson CC: Finasteride in the treatment of patients with benign prostatic hyperplasia: a review. Ther Clin Risk Manag. 2009 Jun;5(3):535-45. Epub 2009 Jul 12.@@Goldenberg L, So A, Fleshner N, Rendon R, Drachenberg D, Elhilali M: The role of 5-alpha reductase inhibitors in prostate pathophysiology: Is there an additional advantage to inhibition of type 1 isoenzyme? Can Urol Assoc J. 2009 Jun;3(3 Suppl 2):S109-14.@@Keam SJ, Scott LJ: Dutasteride: a review of its use in the management of prostate disorders. Drugs. 2008;68(4):463-85.@@Rittmaster RS, Fleshner NE, Thompson IM: Pharmacological approaches to reducing the risk of prostate cancer. Eur Urol. 2009 May;55(5):1064-73. doi: 10.1016/j.eururo.2009.01.037. Epub 2009 Feb 5.@@Shah SK, Trump DL, Sartor O, Tan W, Wilding GE, Mohler JL: Phase II study of Dutasteride for recurrent prostate cancer during androgen deprivation therapy. J Urol. 2009 Feb;181(2):621-6. doi: 10.1016/j.juro.2008.10.014. Epub 2008 Dec 16."	Approved; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Steroids; 5-alpha Reductase Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Adrenergic Antagonists; Cytochrome P-450 CYP3A Substrates; Urologicals; Adrenergic alpha-Antagonists; Agents that produce hypertension; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Drugs Used in Benign Prostatic Hypertrophy; Steroid Synthesis Inhibitors; Azasteroids"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F					12580	46504830	D03820	PA164749300		DAP000044	Dutasteride	CHEMBL1200969	228790
DB01126	Dutasteride	BE0000585	SRD5A2	P31213	S5A2_HUMAN	inhibitor	11752352; 20426708; 19879888; 19707263; 19543428; 18318566; 16818707; 19200641; 19091347	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Rathnayake D, Sinclair R: Male androgenetic alopecia. Expert Opin Pharmacother. 2010 Jun;11(8):1295-304. doi: 10.1517/14656561003752730.@@Aggarwal S, Thareja S, Verma A, Bhardwaj TR, Kumar M: An overview on 5alpha-reductase inhibitors. Steroids. 2010 Feb;75(2):109-53. doi: 10.1016/j.steroids.2009.10.005. Epub 2009 Oct 30.@@Smith AB, Carson CC: Finasteride in the treatment of patients with benign prostatic hyperplasia: a review. Ther Clin Risk Manag. 2009 Jun;5(3):535-45. Epub 2009 Jul 12.@@Goldenberg L, So A, Fleshner N, Rendon R, Drachenberg D, Elhilali M: The role of 5-alpha reductase inhibitors in prostate pathophysiology: Is there an additional advantage to inhibition of type 1 isoenzyme? Can Urol Assoc J. 2009 Jun;3(3 Suppl 2):S109-14.@@Keam SJ, Scott LJ: Dutasteride: a review of its use in the management of prostate disorders. Drugs. 2008;68(4):463-85.@@Xu Y, Dalrymple SL, Becker RE, Denmeade SR, Isaacs JT: Pharmacologic basis for the enhanced efficacy of dutasteride against prostatic cancers. Clin Cancer Res. 2006 Jul 1;12(13):4072-9.@@Rittmaster RS, Fleshner NE, Thompson IM: Pharmacological approaches to reducing the risk of prostate cancer. Eur Urol. 2009 May;55(5):1064-73. doi: 10.1016/j.eururo.2009.01.037. Epub 2009 Feb 5.@@Shah SK, Trump DL, Sartor O, Tan W, Wilding GE, Mohler JL: Phase II study of Dutasteride for recurrent prostate cancer during androgen deprivation therapy. J Urol. 2009 Feb;181(2):621-6. doi: 10.1016/j.juro.2008.10.014. Epub 2008 Dec 16."	Approved; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Steroids; 5-alpha Reductase Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Adrenergic Antagonists; Cytochrome P-450 CYP3A Substrates; Urologicals; Adrenergic alpha-Antagonists; Agents that produce hypertension; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Drugs Used in Benign Prostatic Hypertrophy; Steroid Synthesis Inhibitors; Azasteroids"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F					12580	46504830	D03820	PA164749300		DAP000044	Dutasteride	CHEMBL1200969	228790
DB01127	Econazole	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	17998298	"Svecova L, Vrzal R, Burysek L, Anzenbacherova E, Cerveny L, Grim J, Trejtnar F, Kunes J, Pour M, Staud F, Anzenbacher P, Dvorak Z, Pavek P: Azole antimycotics differentially affect rifampicin-induced pregnane X receptor-mediated CYP3A4 gene expression. Drug Metab Dispos. 2008 Feb;36(2):339-48. Epub 2007 Nov 12."	Approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	"Imidazole Derivatives; Enzyme Inhibitors; Dermatologicals; Hormone Antagonists; Antifungal Agents; 14-alpha Demethylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Antifungals for Dermatological Use; Genito Urinary System and Sex Hormones; Azole Antifungals; Imidazole and Triazole Derivatives; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Antifungal Agents (Vaginal); Steroid Synthesis Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Antifungals for Topical Use; Cytochrome P-450 CYP3A4 Inhibitors (strong); Gynecological Antiinfectives and Antiseptics; Hormones, Hormone Substitutes, and Hormone Antagonists"	ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1					2110	46508881	D03936	PA164746010		DAP001269	Econazole	CHEMBL808	3743
DB01129	Rabeprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	10551440; 11772142; 11752352	"Langtry HD, Markham A: Rabeprazole: a review of its use in acid-related gastrointestinal disorders. Drugs. 1999 Oct;58(4):725-42.@@Carswell CI, Goa KL: Rabeprazole: an update of its use in acid-related disorders. Drugs. 2001;61(15):2327-56.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Topical Products for Joint and Muscular Pain; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Cytochrome P-450 CYP2C8 Inhibitors; Anti-Ulcer Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Hydroxy Acids; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Pyrazolones; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Acetates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Sulfoxides; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; Butylpyrazolidines; Pyrazoles; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles; Proton-pump Inhibitors"	COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1		Rabeprazole Action Pathway; Rabeprazole Metabolism Pathway	drug_metabolism; drug_action		12149	46506366	D08463	PA451216		DAP000727	Rabeprazole	CHEMBL1219	114979
DB01130	Prednicarbate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	2879901; 19482847	"Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93.@@Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7559	46506799		PA164749394		DAP001189	Prednicarbate	CHEMBL1200386	34369
DB01131	Proguanil	BE0000330	DHFR	P00374	DYR_HUMAN	inhibitor	10068594; 10998224; 11295178; 11740746; 12667224; 11752352	"Kaneko A, Bergqvist Y, Takechi M, Kalkoa M, Kaneko O, Kobayakawa T, Ishizaki T, Bjorkman A: Intrinsic efficacy of proguanil against falciparum and vivax malaria independent of the metabolite cycloguanil. J Infect Dis. 1999 Apr;179(4):974-9.@@Vasconcelos KF, Plowe CV, Fontes CJ, Kyle D, Wirth DF, Pereira da Silva LH, Zalis MG: Mutations in Plasmodium falciparum dihydrofolate reductase and dihydropteroate synthase of isolates from the Amazon region of Brazil. Mem Inst Oswaldo Cruz. 2000 Sep-Oct;95(5):721-8.@@Tahar R, de Pecoulas PE, Basco LK, Chiadmi M, Mazabraud A: Kinetic properties of dihydrofolate reductase from wild-type and mutant Plasmodium vivax expressed in Escherichia coli. Mol Biochem Parasitol. 2001 Apr 6;113(2):241-9.@@Durand R, Jafari S, Bouchaud O, Ralaimazava P, Keundjian A, Le Bras J: Plasmodium falciparum: pfcrt and DHFR mutations are associated with failure of chloroquine plus proguanil prophylaxis in travelers. J Infect Dis. 2001 Dec 15;184(12):1633-4.@@Le Bras J, Durand R: The mechanisms of resistance to antimalarial drugs in Plasmodium falciparum. Fundam Clin Pharmacol. 2003 Apr;17(2):147-53.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	1-arylbiguanides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	"Cytochrome P-450 CYP2D6 Inhibitors; Antimetabolites; Cytochrome P-450 CYP2D6 Inhibitors (weak); Noxae; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Guanidines; Antiprotozoals; Antimalarials; Cytochrome P-450 CYP2C19 Substrates; Biguanides; Folic Acid Antagonists; Antiparasitic Agents; Anti-Infective Agents; Cytochrome P-450 CYP2C9 Substrates; Amidines; Toxic Actions"	CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1					11436	46506228		PA451124		DAP000634	Proguanil	CHEMBL1377	2382
DB01132	Pioglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	20018750; 15356026; 9568680; 8576907	"Sugii S, Olson P, Sears DD, Saberi M, Atkins AR, Barish GD, Hong SH, Castro GL, Yin YQ, Nelson MC, Hsiao G, Greaves DR, Downes M, Yu RT, Olefsky JM, Evans RM: PPARgamma activation in adipocytes is sufficient for systemic insulin sensitization. Proc Natl Acad Sci U S A. 2009 Dec 29;106(52):22504-9. doi: 10.1073/pnas.0912487106. Epub 2009 Dec 16.@@Miyazaki Y, Mahankali A, Wajcberg E, Bajaj M, Mandarino LJ, DeFronzo RA: Effect of pioglitazone on circulating adipocytokine levels and insulin sensitivity in type 2 diabetic patients. J Clin Endocrinol Metab. 2004 Sep;89(9):4312-9.@@Spiegelman BM: PPAR-gamma: adipogenic regulator and thiazolidinedione receptor. Diabetes. 1998 Apr;47(4):507-14.@@Willson TM, Cobb JE, Cowan DJ, Wiethe RW, Correa ID, Prakash SR, Beck KD, Moore LB, Kliewer SA, Lehmann JM: The structure-activity relationship between peroxisome proliferator-activated receptor gamma agonism and the antihyperglycemic activity of thiazolidinediones. J Med Chem. 1996 Feb 2;39(3):665-8."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity	CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1					12012	46507136	D08378	PA450970		DAP000272	Pioglitazone	CHEMBL595	33738
DB01132	Pioglitazone	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	22282722	"Binda C, Aldeco M, Geldenhuys WJ, Tortorici M, Mattevi A, Edmondson DE: Molecular Insights into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs. ACS Med Chem Lett. 2011 Oct 15;3(1):39-42."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Peroxisome Proliferator Receptor gamma Agonist; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Oral Hypoglycemics; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C9 Substrates; Hypoglycemia-Associated Agents; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Peroxisome Proliferator-activated Receptor Activity	CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1					12012	46507136	D08378	PA450970		DAP000272	Pioglitazone	CHEMBL595	33738
DB01133	Tiludronic acid	BE0009940	PTPN12	Q05209	PTN12_HUMAN	inhibitor	9145236; 19189046	"Murakami H, Takahashi N, Tanaka S, Nakamura I, Udagawa N, Nakajo S, Nakaya K, Abe M, Yuda Y, Konno F, Barbier A, Suda T: Tiludronate inhibits protein tyrosine phosphatase activity in osteoclasts. Bone. 1997 May;20(5):399-404.@@Sheng MH, Lau KH: Role of protein-tyrosine phosphatases in regulation of osteoclastic activity. Cell Mol Life Sci. 2009 Jun;66(11-12):1946-61. doi: 10.1007/s00018-009-8811-5."	Approved; Investigational; Vet_approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	"Phospholipases A, antagonists & inhibitors; Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs that are Mainly Renally Excreted; Drugs for Treatment of Bone Diseases"	OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O					11362	46505302		PA451688			Tiludronic_acid	CHEMBL1350	57230
DB01133	Tiludronic acid	BE0003568	PTPRE	P23469	PTPRE_HUMAN	inhibitor	9145236; 19189046	"Murakami H, Takahashi N, Tanaka S, Nakamura I, Udagawa N, Nakajo S, Nakaya K, Abe M, Yuda Y, Konno F, Barbier A, Suda T: Tiludronate inhibits protein tyrosine phosphatase activity in osteoclasts. Bone. 1997 May;20(5):399-404.@@Sheng MH, Lau KH: Role of protein-tyrosine phosphatases in regulation of osteoclastic activity. Cell Mol Life Sci. 2009 Jun;66(11-12):1946-61. doi: 10.1007/s00018-009-8811-5."	Approved; Investigational; Vet_approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	"Phospholipases A, antagonists & inhibitors; Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs that are Mainly Renally Excreted; Drugs for Treatment of Bone Diseases"	OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O					11362	46505302		PA451688			Tiludronic_acid	CHEMBL1350	57230
DB01134	Desoxycorticosterone pivalate	BE0000668	NR3C2	P08235	MCR_HUMAN	agonist	17139284; 17016423; 6227474; 11752352; 744157	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Beaumont K, Fanestil DD: Characterization of rat brain aldosterone receptors reveals high affinity for corticosterone. Endocrinology. 1983 Dec;113(6):2043-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sekihara H, Island DP, Liddle GW: New mineralocorticoids: 5alpha-dihydroaldosterone and 5alpha-dihydro-11-deoxycorticosterone. Endocrinology. 1978 Oct;103(4):1450-2."	Experimental; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Pregnenes; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C					22599	46506381		PA449245		DAP001106	Desoxycorticosterone_pivalate	CHEMBL1200592	22537
DB01135	Doxacurium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 18633030; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved			"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11342	46506733	D00760	PA164744927		DAP000350	Doxacurium_chloride	CHEMBL1237123	23651
DB01135	Doxacurium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 9523819	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50."	Approved			"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Drugs that are Mainly Renally Excreted; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11342	46506733	D00760	PA164744927		DAP000350	Doxacurium_chloride	CHEMBL1237123	23651
DB01136	Carvedilol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	24368739; 19919991	"O'Connell TD, Jensen BC, Baker AJ, Simpson PC: Cardiac alpha1-adrenergic receptors: novel aspects of expression, signaling mechanisms, physiologic function, and clinical importance. Pharmacol Rev. 2013 Dec 24;66(1):308-33. doi: 10.1124/pr.112.007203. Print 2014.@@Jensen BC, Swigart PM, De Marco T, Hoopes C, Simpson PC: {alpha}1-Adrenergic receptor subtypes in nonfailing and failing human myocardium. Circ Heart Fail. 2009 Nov;2(6):654-63. doi: 10.1161/CIRCHEARTFAILURE.108.846212. Epub 2009 Aug 6."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2		Carvedilol Action Pathway	drug_action		1188	46505146	D00255	PA448817		DAP000135	Carvedilol	CHEMBL723	20352
DB01136	Carvedilol	BE0000173	NDUFC2	O95298	NDUC2_HUMAN	inhibitor	10666308	"Oliveira PJ, Santos DJ, Moreno AJ: Carvedilol inhibits the exogenous NADH dehydrogenase in rat heart mitochondria. Arch Biochem Biophys. 2000 Feb 15;374(2):279-85."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2		Carvedilol Action Pathway	drug_action		1188	46505146	D00255	PA448817		DAP000135	Carvedilol	CHEMBL723	20352
DB01136	Carvedilol	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15306222	"Koshimizu TA, Tsujimoto G, Hirasawa A, Kitagawa Y, Tanoue A: Carvedilol selectively inhibits oscillatory intracellular calcium changes evoked by human alpha1D- and alpha1B-adrenergic receptors. Cardiovasc Res. 2004 Sep 1;63(4):662-72."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2		Carvedilol Action Pathway	drug_action		1188	46505146	D00255	PA448817		DAP000135	Carvedilol	CHEMBL723	20352
DB01136	Carvedilol	BE0001074	SELE	P16581	LYAM2_HUMAN	inhibitor	15374848	"Chen JW, Lin FY, Chen YH, Wu TC, Chen YL, Lin SJ: Carvedilol inhibits tumor necrosis factor-alpha-induced endothelial transcription factor activation, adhesion molecule expression, and adhesiveness to human mononuclear cells. Arterioscler Thromb Vasc Biol. 2004 Nov;24(11):2075-81. Epub 2004 Sep 16."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2		Carvedilol Action Pathway	drug_action		1188	46505146	D00255	PA448817		DAP000135	Carvedilol	CHEMBL723	20352
DB01136	Carvedilol	BE0002374	HIF1A	Q16665	HIF1A_HUMAN	modulator	15732037	"Shyu KG, Lu MJ, Chang H, Sun HY, Wang BW, Kuan P: Carvedilol modulates the expression of hypoxia-inducible factor-1alpha and vascular endothelial growth factor in a rat model of volume-overload heart failure. J Card Fail. 2005 Mar;11(2):152-9."	Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Antioxidants; UGT2B7 substrates; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Adrenergic alpha-Antagonists; Indoles; Hypotensive Agents; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Alpha and Beta Blocking Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Adrenergic beta2-Antagonists; Alcohols; Negative Inotrope; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Biological Factors; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Propanols; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Propanolamines; Cytochrome P-450 CYP2C9 Substrates; Adrenergic beta-Antagonists; Carbazoles; UGT1A1 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2		Carvedilol Action Pathway	drug_action		1188	46505146	D00255	PA448817		DAP000135	Carvedilol	CHEMBL723	20352
DB01138	Sulfinpyrazone	BE0000785	ABCC1	P33527	MRP1_HUMAN	inhibitor	10917554; 9685354; 10727523; 15044619; 9885294; 11752352	"Evers R, de Haas M, Sparidans R, Beijnen J, Wielinga PR, Lankelma J, Borst P: Vinblastine and sulfinpyrazone export by the multidrug resistance protein MRP2 is associated with glutathione export. Br J Cancer. 2000 Aug;83(3):375-83.@@Morrow CS, Smitherman PK, Diah SK, Schneider E, Townsend AJ: Coordinated action of glutathione S-transferases (GSTs) and multidrug resistance protein 1 (MRP1) in antineoplastic drug detoxification. Mechanism of GST A1-1- and MRP1-associated resistance to chlorambucil in MCF7 breast carcinoma cells. J Biol Chem. 1998 Aug 7;273(32):20114-20.@@Bakos E, Evers R, Sinko E, Varadi A, Borst P, Sarkadi B: Interactions of the human multidrug resistance proteins MRP1 and MRP2 with organic anions. Mol Pharmacol. 2000 Apr;57(4):760-8.@@Depeille P, Cuq P, Mary S, Passagne I, Evrard A, Cupissol D, Vian L: Glutathione S-transferase M1 and multidrug resistance protein 1 act in synergy to protect melanoma cells from vincristine effects. Mol Pharmacol. 2004 Apr;65(4):897-905.@@Raggers RJ, van Helvoort A, Evers R, van Meer G: The human multidrug resistance protein MRP1 translocates sphingolipid analogs across the plasma membrane. J Cell Sci. 1999 Feb;112 ( Pt 3):415-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenyl sulfoxides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl sulfoxides	Cytochrome P-450 CYP3A Substrates; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrazolones; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP2B6 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Uricosuric Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antigout Preparations; Pyrazoles; Cytochrome P-450 CYP3A Inducers	O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1					8151	46504918	D00449	PA451550		DAP000794	Sulfinpyrazone	CHEMBL832	10205
DB01138	Sulfinpyrazone	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	14977870	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58."	Approved	Phenyl sulfoxides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl sulfoxides	Cytochrome P-450 CYP3A Substrates; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrazolones; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP2B6 Inducers; Musculo-Skeletal System; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Substrates; Uricosuric Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antigout Preparations; Pyrazoles; Cytochrome P-450 CYP3A Inducers	O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1					8151	46504918	D00449	PA451550		DAP000794	Sulfinpyrazone	CHEMBL832	10205
DB01142	Doxepin	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	15286093; 7238574; 15255990; 3011460; 6086881; 7855217; 19179941; 17685877; 2141000; 11752352	"Tashiro M, Sakurada Y, Iwabuchi K, Mochizuki H, Kato M, Aoki M, Funaki Y, Itoh M, Iwata R, Wong DF, Yanai K: Central effects of fexofenadine and cetirizine: measurement of psychomotor performance, subjective sleepiness, and brain histamine H1-receptor occupancy using 11C-doxepin positron emission tomography. J Clin Pharmacol. 2004 Aug;44(8):890-900.@@Tran VT, Lebovitz R, Toll L, Snyder SH: [3H]doxepin interactions with histamine H1-receptors and other sites in guinea pig and rat brain homogenates. Eur J Pharmacol. 1981 Apr 9;70(4):501-9.@@Kano M, Fukudo S, Tashiro A, Utsumi A, Tamura D, Itoh M, Iwata R, Tashiro M, Mochizuki H, Funaki Y, Kato M, Hongo M, Yanai K: Decreased histamine H1 receptor binding in the brain of depressed patients. Eur J Neurosci. 2004 Aug;20(3):803-10.@@Claro E, Arbones L, Garcia A, Picatoste F: Phosphoinositide hydrolysis mediated by histamine H1-receptors in rat brain cortex. Eur J Pharmacol. 1986 Apr 16;123(2):187-96.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38.@@Singh H, Becker PM: Novel therapeutic usage of low-dose doxepin hydrochloride. Expert Opin Investig Drugs. 2007 Aug;16(8):1295-305.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	2897127; 2141000	"Beil W, Hannemann H, Sewing KF: Interaction of antidepressants and neuroleptics with histamine stimulated parietal cell adenylate cyclase and H+ secretion. Pharmacology. 1988;36(3):198-203.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821; 19179941	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9537821; 19179941	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	7855217; 309138	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Maj J, Gancarczyk L, Gorszczyk L, Rawlow A: Doxepin as a blocker of central serotonin receptors. Pharmakopsychiatr Neuropsychopharmakol. 1977 Dec;10(6):318-24."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	7855217; 2329499; 2141000	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7855217; 2329499; 2141000	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	7855217; 2329499; 2141000	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Ehlert FJ, Delen FM, Yun SH, Liem HA: The interaction of amitriptyline, doxepin, imipramine and their N-methyl quaternary ammonium derivatives with subtypes of muscarinic receptors in brain and heart. J Pharmacol Exp Ther. 1990 Apr;253(1):13-9.@@Figueiredo A, Ribeiro CA, Goncalo M, Almeida L, Poiares-Baptista A, Teixeira F: Mechanism of action of doxepin in the treatment of chronic urticaria. Fundam Clin Pharmacol. 1990;4(2):147-58."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7855217; 19179941; 6086881	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	7855217; 19179941; 6086881	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Stahl SM: Selective histamine H1 antagonism: novel hypnotic and pharmacologic actions challenge classical notions of antihistamines. CNS Spectr. 2008 Dec;13(12):1027-38.@@Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102."	Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01142	Doxepin	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder			Approved; Investigational	Dibenzoxepines	Organic compounds; Organoheterocyclic compounds; Benzoxepines; Dibenzoxepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Dermatologicals; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Histamine H2 Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Antipruritics and Local Anesthetics; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Dibenzoxepins; Cytochrome P-450 CYP2C19 Substrates; Ethers, Cyclic; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Serotonin Modulators; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Tertiary amine tricyclic antidepressants; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Muscarinic Antagonists; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates"	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12		Doxepin Metabolism Pathway; Doxepin H1-Antihistamine Action	drug_metabolism; drug_action		5691	46505232	D07875	PA449409		DAP000177	Doxepin	CHEMBL1628227	3638
DB01144	Diclofenamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	14684332; 9336012; 17228881; 19648295; 19019313	"Winum JY, Casini A, Mincione F, Starnotti M, Montero JL, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits. Bioorg Med Chem Lett. 2004 Jan 5;14(1):225-9.@@Lindskog S: Structure and mechanism of carbonic anhydrase. Pharmacol Ther. 1997;74(1):1-20.@@Nishimori I, Minakuchi T, Onishi S, Vullo D, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. DNA cloning, characterization, and inhibition studies of the human secretory isoform VI, a new target for sulfonamide and sulfamate inhibitors. J Med Chem. 2007 Jan 25;50(2):381-8.@@Giacomotto J, Pertl C, Borrel C, Walter MC, Bulst S, Johnsen B, Baillie DL, Lochmuller H, Thirion C, Segalat L: Evaluation of the therapeutic potential of carbonic anhydrase inhibitors in two animal models of dystrophin deficient muscular dystrophy. Hum Mol Genet. 2009 Nov 1;18(21):4089-101. doi: 10.1093/hmg/ddp358. Epub 2009 Jul 31.@@Cleland JC, Griggs RC: Treatment of neuromuscular channelopathies: current concepts and future prospects. Neurotherapeutics. 2008 Oct;5(4):607-12. doi: 10.1016/j.nurt.2008.09.001."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Hypotensive Agents; Ophthalmologicals; Sulfones; Enzyme Inhibitors; Diuretics; Antiglaucoma Preparations and Miotics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Carbonic Anhydrase Inhibitors; Sensory Organs; Ophthalmics	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O						46505039	D00518	PA164745512		DAP000601	Diclofenamide	CHEMBL17	3353
DB01144	Diclofenamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	18336310	"Mincione F, Scozzafava A, Supuran CT: The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Hypotensive Agents; Ophthalmologicals; Sulfones; Enzyme Inhibitors; Diuretics; Antiglaucoma Preparations and Miotics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Carbonic Anhydrase Inhibitors; Sensory Organs; Ophthalmics	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O						46505039	D00518	PA164745512		DAP000601	Diclofenamide	CHEMBL17	3353
DB01144	Diclofenamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Hypotensive Agents; Ophthalmologicals; Sulfones; Enzyme Inhibitors; Diuretics; Antiglaucoma Preparations and Miotics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Carbonic Anhydrase Inhibitors; Sensory Organs; Ophthalmics	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O						46505039	D00518	PA164745512		DAP000601	Diclofenamide	CHEMBL17	3353
DB01146	Diphenylpyraline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 1912125; 1678430; 18977145; 15627433; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nakai T, Kitamura N, Hashimoto T, Kajimoto Y, Nishino N, Mita T, Tanaka C: Decreased histamine H1 receptors in the frontal cortex of brains from patients with chronic schizophrenia. Biol Psychiatry. 1991 Aug 15;30(4):349-56.@@Taniguchi K, Masuda Y, Takanaka K: Inhibitory effects of histamine H1 receptor blocking drugs on metabolic activations of neutrophils. J Pharmacobiodyn. 1991 Feb;14(2):87-93.@@Weis R, Schweiger K, Faist J, Rajkovic E, Kungl AJ, Fabian WM, Schunack W, Seebacher W: Antimycobacterial and H1-antihistaminic activity of 2-substituted piperidine derivatives. Bioorg Med Chem. 2008 Dec 15;16(24):10326-31. doi: 10.1016/j.bmc.2008.10.042. Epub 2008 Oct 22.@@Lapa GB, Mathews TA, Harp J, Budygin EA, Jones SR: Diphenylpyraline, a histamine H1 receptor antagonist, has psychostimulant properties. Eur J Pharmacol. 2005 Jan 4;506(3):237-40. Epub 2004 Dec 8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Aminoalkyl Ethers; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use	CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1		Diphenylpyraline H1-Antihistamine Action	drug_action		9613	46504936	D07862	PA164746377		DAP001071	Diphenylpyraline	CHEMBL1492	23386
DB01146	Diphenylpyraline	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	15627433	"Lapa GB, Mathews TA, Harp J, Budygin EA, Jones SR: Diphenylpyraline, a histamine H1 receptor antagonist, has psychostimulant properties. Eur J Pharmacol. 2005 Jan 4;506(3):237-40. Epub 2004 Dec 8."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Aminoalkyl Ethers; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use	CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1		Diphenylpyraline H1-Antihistamine Action	drug_action		9613	46504936	D07862	PA164746377		DAP001071	Diphenylpyraline	CHEMBL1492	23386
DB01148	Flavoxate	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17139284; 17016423; 19002123; 10858873; 3247311	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Greco KA, McVary KT: The role of combination medical therapy in benign prostatic hyperplasia. Int J Impot Res. 2008 Dec;20 Suppl 3:S33-43. doi: 10.1038/ijir.2008.51.@@Uckert S, Stief CG, Odenthal KP, Truss MC, Lietz B, Jonas U: Responses of isolated normal human detrusor muscle to various spasmolytic drugs commonly used in the treatment of the overactive bladder. Arzneimittelforschung. 2000 May;50(5):456-60.@@Abbiati GA, Ceserani R, Nardi D, Pietra C, Testa R: Receptor binding studies of the flavone, REC 15/2053, and other bladder spasmolytics. Pharm Res. 1988 Jul;5(7):430-3."	Approved	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Benzopyrans; Agents producing tachycardia; Pyrans; Autonomic Agents; Urological Agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Urologicals; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Flavonoids; Drugs for Urinary Frequency and Incontinence; Flavones; Muscarinic Antagonists"	CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1					9419	46505138		PA164781386		DAP001114	Flavoxate	CHEMBL1493	4440
DB01149	Nefazodone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	16433010; 11752352	"Millan MJ: Serotonin 5-HT2C receptors as a target for the treatment of depressive and anxious states: focus on novel therapeutic strategies. Therapie. 2005 Sep-Oct;60(5):441-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01149	Nefazodone	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	7475971; 9472845; 9537821; 7649970; 9098663	"Owens MJ, Ieni JR, Knight DL, Winders K, Nemeroff CB: The serotonergic antidepressant nefazodone inhibits the serotonin transporter: in vivo and ex vivo studies. Life Sci. 1995;57(24):PL373-80.@@Narayan M, Anderson G, Cellar J, Mallison RT, Price LH, Nelson JC: Serotonin transporter-blocking properties of nefazodone assessed by measurement of platelet serotonin. J Clin Psychopharmacol. 1998 Feb;18(1):67-71.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Taylor DP, Carter RB, Eison AS, Mullins UL, Smith HL, Torrente JR, Wright RN, Yocca FD: Pharmacology and neurochemistry of nefazodone, a novel antidepressant drug. J Clin Psychiatry. 1995;56 Suppl 6:3-11.@@Davis R, Whittington R, Bryson HM: Nefazodone. A review of its pharmacology and clinical efficacy in the management of major depression. Drugs. 1997 Apr;53(4):608-36."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01149	Nefazodone	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	7475971; 10512149; 9537821; 7649970; 9098663	"Owens MJ, Ieni JR, Knight DL, Winders K, Nemeroff CB: The serotonergic antidepressant nefazodone inhibits the serotonin transporter: in vivo and ex vivo studies. Life Sci. 1995;57(24):PL373-80.@@Owen D, Du L, Bakish D, Lapierre YD, Hrdina PD: Norepinephrine transporter gene polymorphism is not associated with susceptibility to major depression. Psychiatry Res. 1999 Jul 30;87(1):1-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Taylor DP, Carter RB, Eison AS, Mullins UL, Smith HL, Torrente JR, Wright RN, Yocca FD: Pharmacology and neurochemistry of nefazodone, a novel antidepressant drug. J Clin Psychiatry. 1995;56 Suppl 6:3-11.@@Davis R, Whittington R, Bryson HM: Nefazodone. A review of its pharmacology and clinical efficacy in the management of major depression. Drugs. 1997 Apr;53(4):608-36."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01149	Nefazodone	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01149	Nefazodone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	other/unknown	11752352; 17139284; 17016423	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01149	Nefazodone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7649970; 7855217	"Taylor DP, Carter RB, Eison AS, Mullins UL, Smith HL, Torrente JR, Wright RN, Yocca FD: Pharmacology and neurochemistry of nefazodone, a novel antidepressant drug. J Clin Psychiatry. 1995;56 Suppl 6:3-11.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT1 Receptor Antagonists; P-glycoprotein inducers; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; BSEP/ABCB11 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs); Antidepressive Agents, Second-Generation; Antidepressive Agents, Triazolopyridine"	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1					449	46508323	D08257	PA450603		DAP000042	Nefazodone	CHEMBL623	31565
DB01151	Desipramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	10424850; 12137927; 12837768; 15002740; 15814154; 11752352; 9537821	"Zavosh A, Schaefer J, Ferrel A, Figlewicz DP: Desipramine treatment decreases 3H-nisoxetine binding and norepinephrine transporter mRNA in SK-N-SHSY5Y cells. Brain Res Bull. 1999 Jul 1;49(4):291-5.@@Weinshenker D, White SS, Javors MA, Palmiter RD, Szot P: Regulation of norepinephrine transporter abundance by catecholamines and desipramine in vivo. Brain Res. 2002 Aug 16;946(2):239-46.@@Bryan-Lluka LJ, Bonisch H, Lewis RJ: chi-Conopeptide MrIA partially overlaps desipramine and cocaine binding sites on the human norepinephrine transporter. J Biol Chem. 2003 Oct 10;278(41):40324-9. Epub 2003 Jul 1.@@Zhu MY, Kyle PB, Hume AS, Ordway GA: The persistent membrane retention of desipramine causes lasting inhibition of norepinephrine transporter function. Neurochem Res. 2004 Feb;29(2):419-27.@@Ordway GA, Jia W, Li J, Zhu MY, Mandela P, Pan J: Norepinephrine transporter function and desipramine: residual drug effects versus short-term regulation. J Neurosci Methods. 2005 Apr 30;143(2):217-25. Epub 2004 Dec 30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	12464448; 16140280; 16300628; 9422361; 9537821	"Holmes A, Yang RJ, Murphy DL, Crawley JN: Evaluation of antidepressant-related behavioral responses in mice lacking the serotonin transporter. Neuropsychopharmacology. 2002 Dec;27(6):914-23.@@Gould GG, Altamirano AV, Javors MA, Frazer A: A comparison of the chronic treatment effects of venlafaxine and other antidepressants on serotonin and norepinephrine transporters. Biol Psychiatry. 2006 Mar 1;59(5):408-14. Epub 2005 Sep 2.@@Zhou L, Huang KX, Kecojevic A, Welsh AM, Koliatsos VE: Evidence that serotonin reuptake modulators increase the density of serotonin innervation in the forebrain. J Neurochem. 2006 Jan;96(2):396-406. Epub 2005 Nov 21.@@Hoffman AF, Gerhardt GA: In vivo electrochemical studies of dopamine clearance in the rat substantia nigra: effects of locally applied uptake inhibitors and unilateral 6-hydroxydopamine lesions. J Neurochem. 1998 Jan;70(1):179-89.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	10467920; 7855217	"Sawynok J, Esser MJ, Reid AR: Peripheral antinociceptive actions of desipramine and fluoxetine in an inflammatory and neuropathic pain test in the rat. Pain. 1999 Aug;82(2):149-58.@@Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	7855217; 17139284; 17016423	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	binder	8876023	"Palvimaki EP, Roth BL, Majasuo H, Laakso A, Kuoppamaki M, Syvalahti E, Hietala J: Interactions of selective serotonin reuptake inhibitors with the serotonin 5-HT2c receptor. Psychopharmacology (Berl). 1996 Aug;126(3):234-40."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01151	Desipramine	BE0000756	DRD2	P14416	DRD2_HUMAN	binder	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antidepressive Agents Indicated for Depression; Dibenzazepines; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12		Imipramine Metabolism Pathway; Imipramine Action Pathway; Desipramine Metabolism Pathway; Desipramine Action Pathway	drug_metabolism; drug_action		11181	46504624	D07791	PA449233		DAP001151	Desipramine	CHEMBL72	3247
DB01156	Bupropion	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	12183670; 12185406; 12589396; 14550679; 15787205; 11752352; 9537821; 15361919; 28220701; 27541930; 16923164	"Miller DK, Sumithran SP, Dwoskin LP: Bupropion inhibits nicotine-evoked [(3)H]overflow from rat striatal slices preloaded with [(3)H]dopamine and from rat hippocampal slices preloaded with [(3)H]norepinephrine. J Pharmacol Exp Ther. 2002 Sep;302(3):1113-22.@@Meyer JH, Goulding VS, Wilson AA, Hussey D, Christensen BK, Houle S: Bupropion occupancy of the dopamine transporter is low during clinical treatment. Psychopharmacology (Berl). 2002 Aug;163(1):102-5. Epub 2002 Jul 13.@@Kugaya A, Seneca NM, Snyder PJ, Williams SA, Malison RT, Baldwin RM, Seibyl JP, Innis RB: Changes in human in vivo serotonin and dopamine transporter availabilities during chronic antidepressant administration. Neuropsychopharmacology. 2003 Feb;28(2):413-20. Epub 2002 Jul 19.@@Learned-Coughlin SM, Bergstrom M, Savitcheva I, Ascher J, Schmith VD, Langstrom B: In vivo activity of bupropion at the human dopamine transporter as measured by positron emission tomography. Biol Psychiatry. 2003 Oct 15;54(8):800-5.@@Szabo Z, Argyelan M, Kanyo B, Pavics L, Janka Z: [Change of dopamine transporter activity (DAT) during the action of bupropion (in depression)]. Neuropsychopharmacol Hung. 2004 Jun;6(2):79-81.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Stahl SM, Pradko JF, Haight BR, Modell JG, Rockett CB, Learned-Coughlin S: A Review of the Neuropharmacology of Bupropion, a Dual Norepinephrine and Dopamine Reuptake Inhibitor. Prim Care Companion J Clin Psychiatry. 2004;6(4):159-166.@@Shalabi AR, Walther D, Baumann MH, Glennon RA: Deconstructed Analogues of Bupropion Reveal Structural Requirements for Transporter Inhibition versus Substrate-Induced Neurotransmitter Release. ACS Chem Neurosci. 2017 Jun 21;8(6):1397-1403. doi: 10.1021/acschemneuro.7b00055. Epub 2017 Feb 27.@@Simonsen U, Comerma-Steffensen S, Andersson KE: Modulation of Dopaminergic Pathways to Treat Erectile Dysfunction. Basic Clin Pharmacol Toxicol. 2016 Oct;119 Suppl 3:63-74. doi: 10.1111/bcpt.12653.@@Mortensen OV, Amara SG: Gain of function mutants reveal sites important for the interaction of the atypical inhibitors benztropine and bupropion with monoamine transporters. J Neurochem. 2006 Sep;98(5):1531-40. doi: 10.1111/j.1471-4159.2006.04060.x."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Enzyme Inhibitors; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; Aminoketone Antidepressants; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Substrates; Smoking Cessation Agents; Ketones; Agents that reduce seizure threshold; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2D6 Inhibitors (strong); Increased Norepinephrine Activity; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Increased Dopamine Activity; Dopamine And Norepinephrine Reuptake Inhibitors"	CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1					11772	46506896	D07591	PA448687		DAP000052	Bupropion	CHEMBL894	42347
DB01156	Bupropion	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	12909199; 16893531; 11752352; 15361919; 28220701; 16923164	"Bondarev ML, Bondareva TS, Young R, Glennon RA: Behavioral and biochemical investigations of bupropion metabolites. Eur J Pharmacol. 2003 Aug 1;474(1):85-93.@@Mitchell HA, Ahern TH, Liles LC, Javors MA, Weinshenker D: The effects of norepinephrine transporter inactivation on locomotor activity in mice. Biol Psychiatry. 2006 Nov 15;60(10):1046-52. Epub 2006 Aug 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Stahl SM, Pradko JF, Haight BR, Modell JG, Rockett CB, Learned-Coughlin S: A Review of the Neuropharmacology of Bupropion, a Dual Norepinephrine and Dopamine Reuptake Inhibitor. Prim Care Companion J Clin Psychiatry. 2004;6(4):159-166.@@Shalabi AR, Walther D, Baumann MH, Glennon RA: Deconstructed Analogues of Bupropion Reveal Structural Requirements for Transporter Inhibition versus Substrate-Induced Neurotransmitter Release. ACS Chem Neurosci. 2017 Jun 21;8(6):1397-1403. doi: 10.1021/acschemneuro.7b00055. Epub 2017 Feb 27.@@Mortensen OV, Amara SG: Gain of function mutants reveal sites important for the interaction of the atypical inhibitors benztropine and bupropion with monoamine transporters. J Neurochem. 2006 Sep;98(5):1531-40. doi: 10.1111/j.1471-4159.2006.04060.x."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Enzyme Inhibitors; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Centrally Acting Antiobesity Products; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; Aminoketone Antidepressants; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Substrates; Smoking Cessation Agents; Ketones; Agents that reduce seizure threshold; Antiobesity Preparations, Excl. Diet Products; Norepinephrine Uptake Inhibitors; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP2D6 Inhibitors (strong); Increased Norepinephrine Activity; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents; Increased Dopamine Activity; Dopamine And Norepinephrine Reuptake Inhibitors"	CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1					11772	46506896	D07591	PA448687		DAP000052	Bupropion	CHEMBL894	42347
DB01157	Trimetrexate	BE0000330	DHFR	P00374	DYR_HUMAN	inhibitor	10386066; 11448221; 11752096; 12416030; 12649191; 10091649; 21234348	"Bertino JR, Zhao SC, Mineishi S, Ercikan-Abali EA, Banerjee D: Use of variants of dihydrofolate reductase in gene transfer to produce resistance to methotrexate and trimetrexate. Prog Exp Tumor Res. 1999;36:82-94.@@Graffner-Nordberg M, Kolmodin K, Aqvist J, Queener SF, Hallberg A: Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii. J Med Chem. 2001 Jul 19;44(15):2391-402.@@Warlick CA, Diers MD, Wagner JE, McIvor RS: In vivo selection of antifolate-resistant transgenic hematopoietic stem cells in a murine bone marrow transplant model. J Pharmacol Exp Ther. 2002 Jan;300(1):50-6.@@Zhu WY, Bunni M, Priest DG, DiCapua JL, Dressler JM, Chen Z, Melera PW: Severe folate restriction results in depletion of and alteration in the composition of the intracellular folate pool, moderate sensitization to methotrexate and trimetrexate, upregulation of endogenous DHFR activity, and overexpression of metallothionein II and folate receptor alpha that, upon folate repletion, confer drug resistance to CHL cells. J Exp Ther Oncol. 2002 Sep-Oct;2(5):264-77.@@Sweeney CL, Frandsen JL, Verfaillie CM, McIvor RS: Trimetrexate inhibits progression of the murine 32Dp210 model of chronic myeloid leukemia in animals expressing drug-resistant dihydrofolate reductase. Cancer Res. 2003 Mar 15;63(6):1304-10.@@Polshakov VI, Birdsall B, Frenkiel TA, Gargaro AR, Feeney J: Structure and dynamics in solution of the complex of Lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate. Protein Sci. 1999 Mar;8(3):467-81.@@Sowers R, Wenzel BD, Richardson C, Meyers PA, Healey JH, Levy AS, Gorlick R: Impairment of methotrexate transport is common in osteosarcoma tumor samples. Sarcoma. 2011;2011:834170. doi: 10.1155/2011/834170. Epub 2010 Dec 22."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Enzyme Inhibitors; Antimetabolites; Carbohydrates; Noxae; Uronic Acids; Hydroxy Acids; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Folic Acid Antagonists; Acids, Aldehydic; Acids, Acyclic; Sugar Acids; Anti-Infective Agents; Pharmaceutical Preparations; Narrow Therapeutic Index Drugs; Toxic Actions; Quinazolines"	COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC					11345	46505247	D06238	PA451790		DAP000635	Trimetrexate	CHEMBL119	42333
DB01158	Bretylium	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	1334399; 15121098; 1662173; 1667290	"Dzimiri N, Almotrefi AA: Inhibition of myocardial Na(+)-K(+)-ATPase activity by bretylium: role of potassium. Arch Int Pharmacodyn Ther. 1992 Jul-Aug;318:76-85.@@Helms JB, Arnett KL, Gatto C, Milanick MA: Bretylium, an organic quaternary amine, inhibits the Na,K-ATPase by binding to the extracellular K-site. Blood Cells Mol Dis. 2004 May-Jun;32(3):394-400.@@Dzimiri N, Almotrefi AA: Interaction of bretylium tosylate with guinea-pig myocardial Na(+)-K(+)-ATPase. Gen Pharmacol. 1991;22(5):935-8.@@Tiku PE, Nowell PT: Selective inhibition of K(+)-stimulation of Na,K-ATPase by bretylium. Br J Pharmacol. 1991 Dec;104(4):895-900."	Approved	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Potential QTc-Prolonging Agents; Quaternary Ammonium Compounds; QTc Prolonging Agents; Amines; Cardiac Therapy; Adrenergic Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Bretylium Compounds; Bradycardia-Causing Agents; Adrenergic Agents; Benzylammonium Compounds; Antiarrhythmics, Class III"	CC[N+](C)(C)CC1=CC=CC=C1Br					5917	46505320	D00645	PA448662		DAP000939	Bretylium	CHEMBL1199080	19685
DB01159	Halothane	BE0003583	KCNK9	Q9NPC2	KCNK9_HUMAN	binder	20519544; 20217349	"Lazarenko RM, Willcox SC, Shu S, Berg AP, Jevtovic-Todorovic V, Talley EM, Chen X, Bayliss DA: Motoneuronal TASK channels contribute to immobilizing effects of inhalational general anesthetics. J Neurosci. 2010 Jun 2;30(22):7691-704. doi: 10.1523/JNEUROSCI.1655-10.2010.@@Pandit JJ, Buckler KJ: Halothane and sevoflurane exert different degrees of inhibition on carotid body glomus cell intracellular Ca2+ response to hypoxia. Adv Exp Med Biol. 2010;669:201-4. doi: 10.1007/978-1-4419-5692-7_40."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0009972	ATP2B1	P23634	AT2B4_HUMAN	inhibitor	7499320; 10814537	"Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45.@@Brennan LK, Froemming GR, Ohlendieck K: Effect of halothane on the oligomerization of the sarcoplasmic reticulum Ca(2+)-ATPase. Biochem Biophys Res Commun. 2000 May 19;271(3):770-6. doi: 10.1006/bbrc.2000.2688."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN	inhibitor	10794813; 10592235	"Namba T, Ishii TM, Ikeda M, Hisano T, Itoh T, Hirota K, Adelman JP, Fukuda K: Inhibition of the human intermediate conductance Ca(2+)-activated K(+) channel, hIK1, by volatile anesthetics. Eur J Pharmacol. 2000 Apr 28;395(2):95-101.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	8968191	"Perouansky M, Kirson ED, Yaari Y: Halothane blocks synaptic excitation of inhibitory interneurons. Anesthesiology. 1996 Dec;85(6):1431-8; discussion 29A."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	antagonist	8968191	"Perouansky M, Kirson ED, Yaari Y: Halothane blocks synaptic excitation of inhibitory interneurons. Anesthesiology. 1996 Dec;85(6):1431-8; discussion 29A."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	allosteric modulator	17139284; 17016423; 15287733	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Schofield CM, Trudell JR, Harrison NL: Alanine-scanning mutagenesis in the signature disulfide loop of the glycine receptor alpha 1 subunit: critical residues for activation and modulation. Biochemistry. 2004 Aug 10;43(31):10058-63."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0001030	KCNJ6	P48051	KCNJ6_HUMAN	inhibitor	15175324; 16243998	"Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2.@@Hara K, Yamakura T, Sata T, Harris RA: The effects of anesthetics and ethanol on alpha2 adrenoceptor subtypes expressed with G protein-coupled inwardly rectifying potassium channels in Xenopus oocytes. Anesth Analg. 2005 Nov;101(5):1381-8."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN	inhibitor	11455015; 11465552; 15175324	"Weigl LG, Schreibmayer W: G protein-gated inwardly rectifying potassium channels are targets for volatile anesthetics. Mol Pharmacol. 2001 Aug;60(2):282-9.@@Yamakura T, Lewohl JM, Harris RA: Differential effects of general anesthetics on G protein-coupled inwardly rectifying and other potassium channels. Anesthesiology. 2001 Jul;95(1):144-53.@@Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0001080	GNG2	P59768	GBG2_HUMAN	other/unknown	10913255; 11961592; 12657848; 12826849; 15175324	"Ishizawa Y, Sharp R, Liebman PA, Eckenhoff RG: Halothane binding to a G protein coupled receptor in retinal membranes by photoaffinity labeling. Biochemistry. 2000 Jul 25;39(29):8497-502.@@Zang WJ, Yu XJ, Zang YM: [Effect of halothane on the muscarinic potassium current of the heart]. Sheng Li Xue Bao. 2000 Apr;52(2):175-8.@@Yoshimura H, Jones KA, Perkins WJ, Warner DO: Dual effects of hexanol and halothane on the regulation of calcium sensitivity in airway smooth muscle. Anesthesiology. 2003 Apr;98(4):871-80.@@Streiff J, Jones K, Perkins WJ, Warner DO, Jones KA: Effect of halothane on the guanosine 5' triphosphate binding activity of G-protein alphai subunits. Anesthesiology. 2003 Jul;99(1):105-11.@@Milovic S, Steinecker-Frohnwieser B, Schreibmayer W, Weigl LG: The sensitivity of G protein-activated K+ channels toward halothane is essentially determined by the C terminus. J Biol Chem. 2004 Aug 13;279(33):34240-9. Epub 2004 Jun 2."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01159	Halothane	BE0000948	NPSR1	Q6W5P4	NPSR1_HUMAN	other/unknown	10913255; 11961111; 12826849	"Ishizawa Y, Sharp R, Liebman PA, Eckenhoff RG: Halothane binding to a G protein coupled receptor in retinal membranes by photoaffinity labeling. Biochemistry. 2000 Jul 25;39(29):8497-502.@@Ishizawa Y, Pidikiti R, Liebman PA, Eckenhoff RG: G protein-coupled receptors as direct targets of inhaled anesthetics. Mol Pharmacol. 2002 May;61(5):945-52.@@Streiff J, Jones K, Perkins WJ, Warner DO, Jones KA: Effect of halothane on the guanosine 5' triphosphate binding activity of G-protein alphai subunits. Anesthesiology. 2003 Jul;99(1):105-11."	Approved; Vet_approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2B6 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Anesthetics, General; Cytochrome P-450 CYP2A6 Substrates; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Anesthetics; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists"	[H]C(Cl)(Br)C(F)(F)F					9670	46506589	D00542	PA449845		DAP000692	Halothane	CHEMBL931	5095
DB01160	Dinoprost tromethamine	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist	8777582	"Sakamoto K, Kamimura M, Kurozumi S, Ito S: Prostaglandin F2 alpha receptor. J Lipid Mediat Cell Signal. 1995 Oct;12(2-3):405-11."	Approved; Vet_approved	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Reproductive Control Agents; Inflammation Mediators; Biological Factors; Uterotonic agents; Prostaglandins; Lipids; Autacoids; Abortifacient Agents; Angiography; Fatty Acids; Prostaglandins F; Eicosanoids; Fatty Acids, Unsaturated; Abortifacient Agents, Nonsteroidal"	NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O					11487	46509164	D01352	PA164781385		DAP000826	Prostaglandin_F2alpha	CHEMBL1200896	23321
DB01161	Chloroprocaine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	17175824	"Becker DE, Reed KL: Essentials of local anesthetic pharmacology. Anesth Prog. 2006 Fall;53(3):98-108; quiz 109-10. doi: 10.2344/0003-3006(2006)53[98:EOLAP]2.0.CO;2."	Approved; Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Local Anesthesia; Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Esters of Aminobenzoic Acid; Nervous System; Local Anesthetics (Ester); Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1		Chloroprocaine Action Pathway	drug_action		5999	46508245	D07678	PA448946		DAP000131	Chloroprocaine	CHEMBL1179047	20859
DB01161	Chloroprocaine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	11605081; 7768269; 10078990; 11255924	"Wilcox KM, Paul IA, Ordway GA, Woolverton WL: Role of the dopamine transporter and the sodium channel in the cocaine-like discriminative stimulus effects of local anesthetics in rats. Psychopharmacology (Berl). 2001 Sep;157(3):260-8.@@Mansbach RS, Jortani SA, Balster RL: Discriminative stimulus effects of esteratic local anesthetics in squirrel monkeys. Eur J Pharmacol. 1995 Feb 14;274(1-3):167-73.@@Wilcox KM, Paul IA, Woolverton WL: Comparison between dopamine transporter affinity and self-administration potency of local anesthetics in rhesus monkeys. Eur J Pharmacol. 1999 Feb 19;367(2-3):175-81.@@Wilcox KM, Rowlett JK, Paul IA, Ordway GA, Woolverton WL: On the relationship between the dopamine transporter and the reinforcing effects of local anesthetics in rhesus monkeys: practical and theoretical concerns. Psychopharmacology (Berl). 2000 Dec;153(1):139-47."	Approved; Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Local Anesthesia; Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Esters of Aminobenzoic Acid; Nervous System; Local Anesthetics (Ester); Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1		Chloroprocaine Action Pathway	drug_action		5999	46508245	D07678	PA448946		DAP000131	Chloroprocaine	CHEMBL1179047	20859
DB01162	Terazosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	9732824; 11752352; 9352700; 8736427; 10503165; 14767264	"Chapple CR: Medical therapy and quality of life. Eur Urol. 1998;34 Suppl 2:10-7; discussion 46.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Lee E, Lee C: Clinical comparison of selective and non-selective alpha 1A-adrenoreceptor antagonists in benign prostatic hyperplasia: studies on tamsulosin in a fixed dose and terazosin in increasing doses. Br J Urol. 1997 Oct;80(4):606-11.@@Michel MC, Grubbel B, Taguchi K, Verfurth F, Otto T, Kropfl D: Drugs for treatment of benign prostatic hyperplasia: affinity comparison at cloned alpha 1-adrenoceptor subtypes and in human prostate. J Auton Pharmacol. 1996 Feb;16(1):21-8.@@Na YJ, Guo YL, Gu FL: Clinical comparison of selective and non-selective alpha 1A-adrenoceptor antagonists for bladder outlet obstruction associated with benign prostatic hyperplasia: studies on tamsulosin and terazosin in Chinese patients. The Chinese Tamsulosin Study Group. J Med. 1998;29(5-6):289-304.@@Roehrborn CG, Schwinn DA: Alpha1-adrenergic receptors and their inhibitors in lower urinary tract symptoms and benign prostatic hyperplasia. J Urol. 2004 Mar;171(3):1029-35."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1					1262	46509129	D08569	PA451612		DAP000371	Terazosin	CHEMBL611	37798
DB01162	Terazosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	11711348; 11752352; 2988814; 1358918	"Boyle P, Robertson C, Manski R, Padley RJ, Roehrborn CG: Meta-analysis of randomized trials of terazosin in the treatment of benign prostatic hyperplasia. Urology. 2001 Nov;58(5):717-22.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Simpson P: Stimulation of hypertrophy of cultured neonatal rat heart cells through an alpha 1-adrenergic receptor and induction of beating through an alpha 1- and beta 1-adrenergic receptor interaction. Evidence for independent regulation of growth and beating. Circ Res. 1985 Jun;56(6):884-94.@@Vincent J, Dachman W, Blaschke TF, Hoffman BB: Pharmacological tolerance to alpha 1-adrenergic receptor antagonism mediated by terazosin in humans. J Clin Invest. 1992 Nov;90(5):1763-8."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1					1262	46509129	D08569	PA451612		DAP000371	Terazosin	CHEMBL611	37798
DB01162	Terazosin	BE0000984	TGFB1	P01137	TGFB1_HUMAN	inducer	23518907; 11170131	"Papadopoulos G, Vlachodimitropoulos D, Kyroudi A, Kouloukoussa M, Perrea D, Mitropoulos D: Terazosin treatment induces caspase-3 expression in the rat ventral prostate. J Clin Med Res. 2013 Apr;5(2):127-31. doi: 10.4021/jocmr1215w. Epub 2013 Feb 25.@@Glassman DT, Chon JK, Borkowski A, Jacobs SC, Kyprianou N: Combined effect of terazosin and finasteride on apoptosis, cell proliferation, and transforming growth factor-beta expression in benign prostatic hyperplasia. Prostate. 2001 Jan 1;46(1):45-51."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1					1262	46509129	D08569	PA451612		DAP000371	Terazosin	CHEMBL611	37798
DB01162	Terazosin	BE0000699	KCNH7	Q9NS40	KCNH7_HUMAN	inhibitor	15098086	"Thomas D, Wimmer AB, Wu K, Hammerling BC, Ficker EK, Kuryshev YA, Kiehn J, Katus HA, Schoels W, Karle CA: Inhibition of human ether-a-go-go-related gene potassium channels by alpha 1-adrenoceptor antagonists prazosin, doxazosin, and terazosin. Naunyn Schmiedebergs Arch Pharmacol. 2004 May;369(5):462-72. Epub 2004 Apr 20."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Hypotensive Agents; P-glycoprotein inhibitors; Antihypertensive Agents Indicated for Hypertension; Urological Agents; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Neurotransmitter Agents; Urologicals; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Adrenergic Agents; Genitourinary Agents; Quinazolines; Drugs Used in Benign Prostatic Hypertrophy"	COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1					1262	46509129	D08569	PA451612		DAP000371	Terazosin	CHEMBL611	37798
DB01166	Cilostazol	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	11752352; 16472148; 12180353; 19218671; 18282775	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hong KW, Lee JH, Kima KY, Park SY, Lee WS: Cilostazol: therapeutic potential against focal cerebral ischemic damage. Curr Pharm Des. 2006;12(5):565-73.@@Schror K: The pharmacology of cilostazol. Diabetes Obes Metab. 2002 Mar;4 Suppl 2:S14-9.@@Mokry J, Mokra D, Nosalova G, Beharkova M, Feherova Z: Influence of selective inhibitors of phosphodiesterase 3 and 4 on cough and airway reactivity. J Physiol Pharmacol. 2008 Dec;59 Suppl 6:473-82.@@Parkkonen J, Hasala H, Moilanen E, Giembycz MA, Kankaanranta H: Phosphodiesterase 4 inhibitors delay human eosinophil and neutrophil apoptosis in the absence and presence of salbutamol. Pulm Pharmacol Ther. 2008;21(3):499-506. doi: 10.1016/j.pupt.2007.11.003. Epub 2007 Nov 22."	Approved; Investigational	Hydroquinolones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives	"QTc Prolonging Agents; Enzyme Inhibitors; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Agents producing tachycardia; Quinolines; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Bronchodilator Agents; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Tetrazoles; Vasodilating Agents; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Fibrin Modulating Agents; Peripheral Nervous System Agents; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Phosphodiesterase 3 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Neuroprotective Agents"	O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2		Cilostazol Action Pathway	drug_action			46506317	D01896	PA164746334		DAP000191	Cilostazol	CHEMBL799	21107
DB01168	Procarbazine	BE0004909	MAOA	P27338	AOFB_HUMAN	inhibitor	1359073; 24038727	"Holt A, Sharman DF, Callingham BA, Kettler R: Characteristics of procarbazine as an inhibitor in-vitro of rat semicarbazide-sensitive amine oxidase. J Pharm Pharmacol. 1992 Jun;44(6):487-93.@@Kraft SL, Baker NM, Carpenter J, Bostwick JR: Procarbazine and antidepressants: a retrospective review of the risk of serotonin toxicity. Psychooncology. 2014 Jan;23(1):108-13. doi: 10.1002/pon.3378. Epub 2013 Aug 29."	Approved; Investigational	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Myelosuppressive Agents; Alkylating Activity; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Methylhydrazines; Antineoplastic Agents; Serotonin Modulators; Agents Causing Muscle Toxicity; Acids, Carbocyclic; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Serotonin Agents; Monoamine Oxidase Inhibitors; Alkylating Drugs; Narrow Therapeutic Index Drugs"	CNNCC1=CC=C(C=C1)C(=O)NC(C)C					11354	46507706	D08423	PA451112		DAP000986	Procarbazine	CHEMBL1321	8702
DB01169	Arsenic trioxide	BE0001154	IKBKB	O14920	IKKB_HUMAN	inducer	16230390; 16387740; 17450217; 11752352	"Ouyang W, Ma Q, Li J, Zhang D, Liu ZG, Rustgi AK, Huang C: Cyclin D1 induction through IkappaB kinase beta/nuclear factor-kappaB pathway is responsible for arsenite-induced increased cell cycle G1-S phase transition in human keratinocytes. Cancer Res. 2005 Oct 15;65(20):9287-93.@@Ouyang W, Li J, Ma Q, Huang C: Essential roles of PI-3K/Akt/IKKbeta/NFkappaB pathway in cyclin D1 induction by arsenite in JB6 Cl41 cells. Carcinogenesis. 2006 Apr;27(4):864-73. Epub 2005 Dec 29.@@Ouyang W, Zhang D, Ma Q, Li J, Huang C: Cyclooxygenase-2 induction by arsenite through the IKKbeta/NFkappaB pathway exerts an antiapoptotic effect in mouse epidermal Cl41 cells. Environ Health Perspect. 2007 Apr;115(4):513-8. Epub 2006 Dec 14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01169	Arsenic trioxide	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN	inhibitor	17640917	"Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01169	Arsenic trioxide	BE0000923	MAPK1	P28482	MK01_HUMAN	inducer	12426127; 12529330	"Dong Z: The molecular mechanisms of arsenic-induced cell transformation and apoptosis. Environ Health Perspect. 2002 Oct;110 Suppl 5:757-9.@@He Z, Ma WY, Liu G, Zhang Y, Bode AM, Dong Z: Arsenite-induced phosphorylation of histone H3 at serine 10 is mediated by Akt1, extracellular signal-regulated kinase 2, and p90 ribosomal S6 kinase 2 but not mitogen- and stress-activated protein kinase 1. J Biol Chem. 2003 Mar 21;278(12):10588-93. Epub 2003 Jan 14."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01169	Arsenic trioxide	BE0009012	CDKN1A	P38936	CDN1A_HUMAN		20074581	"Huang HS, Liu ZM, Hong DY: Blockage of JNK pathway enhances arsenic trioxide-induced apoptosis in human keratinocytes. Toxicol Appl Pharmacol. 2010 Apr 15;244(2):234-41. doi: 10.1016/j.taap.2009.12.037. Epub 2010 Jan 11."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01169	Arsenic trioxide	BE0002365	HDAC1	Q13547	HDAC1_HUMAN		20074581	"Huang HS, Liu ZM, Hong DY: Blockage of JNK pathway enhances arsenic trioxide-induced apoptosis in human keratinocytes. Toxicol Appl Pharmacol. 2010 Apr 15;244(2):234-41. doi: 10.1016/j.taap.2009.12.037. Epub 2010 Jan 11."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01169	Arsenic trioxide	BE0005808	PML	P29590	PML_HUMAN		20378816	"Zhang XW, Yan XJ, Zhou ZR, Yang FF, Wu ZY, Sun HB, Liang WX, Song AX, Lallemand-Breitenbach V, Jeanne M, Zhang QY, Yang HY, Huang QH, Zhou GB, Tong JH, Zhang Y, Wu JH, Hu HY, de The H, Chen SJ, Chen Z: Arsenic trioxide controls the fate of the PML-RARalpha oncoprotein by directly binding PML. Science. 2010 Apr 9;328(5975):240-3. doi: 10.1126/science.1183424."	Approved; Investigational	Metalloid oxides	Inorganic compounds; Mixed metal/non-metal compounds; Metalloid organides; Metalloid oxides	Myelosuppressive Agents; QTc Prolonging Agents; Arsenicals; Hyperglycemia-Associated Agents; Hypotensive Agents; Oxides; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Oxygen Compounds	O=[As]O[As]=O					3812	46506448	D02106	PA448486		DNC000255	Arsenic_trioxide	CHEMBL1200978	18330
DB01170	Guanethidine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inducer	11403930; 16126010; 8710929	"Joyce PI, Atcheson R, Marcus RJ, Heffernan AM, Rowbotham DJ, Lambert DG: Interaction of local anaesthetic agents with the endogenous norepinephrine transporter in SH-SY5Y human neuroblastoma cells. Neurosci Lett. 2001 Jun 15;305(3):161-4.@@Yi E, Love JA: Alpha-adrenergic modulation of synaptic transmission in rabbit pancreatic ganglia. Auton Neurosci. 2005 Oct 30;122(1-2):45-57. Epub 2005 Aug 25.@@Galli A, Blakely RD, DeFelice LJ: Norepinephrine transporters have channel modes of conduction. Proc Natl Acad Sci U S A. 1996 Aug 6;93(16):8671-6."	Approved	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	"Guanidine Derivatives; Antihypertensive Agents; Autonomic Agents; Cardiovascular Agents; Guanidines; Sympatholytics; Antiadrenergic Agents, Peripherally Acting; Antiglaucoma Preparations and Miotics; Drugs that are Mainly Renally Excreted; Guanidine Derivatives and Diuretics; Adrenergic Antagonists; Peripheral Nervous System Agents; Gastrointestinal Acidifying Agents; Catecholamine-depleting Sympatholytic; Ophthalmologicals; Amidines; Neurotransmitter Agents; Adrenergic Agents; Sensory Organs"	NC(N)=NCCN1CCCCCCC1					9629	46507567	D02237	PA449823		DAP000124	Guanethidine	CHEMBL765	5036
DB01171	Moclobemide	BE0004909	MAOA	P27338	AOFB_HUMAN	antagonist	12595913	Bonnet U: Moclobemide: therapeutic use and clinical studies. CNS Drug Rev. 2003 Spring;9(1):97-140. doi: 10.1111/j.1527-3458.2003.tb00245.x.	Approved; Investigational	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Monoamine Oxidase A Inhibitors; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Psychoanaleptics; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Acids, Carbocyclic; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Chlorobenzoates; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1					7943	46504667	D02561	PA452615		DAP000576	Moclobemide	CHEMBL86304	30121
DB01171	Moclobemide	BE0002196	MAOB	P27338	AOFB_HUMAN	antagonist	12595913	Bonnet U: Moclobemide: therapeutic use and clinical studies. CNS Drug Rev. 2003 Spring;9(1):97-140. doi: 10.1111/j.1527-3458.2003.tb00245.x.	Approved; Investigational	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Monoamine Oxidase A Inhibitors; Antidepressive Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Psychoanaleptics; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Acids, Carbocyclic; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Chlorobenzoates; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	ClC1=CC=C(C=C1)C(=O)NCCN1CCOCC1					7943	46504667	D02561	PA452615		DAP000576	Moclobemide	CHEMBL86304	30121
DB01173	Orphenadrine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17139284; 17016423; 8788072	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Kornhuber J, Parsons CG, Hartmann S, Retz W, Kamolz S, Thome J, Riederer P: Orphenadrine is an uncompetitive N-methyl-D-aspartate (NMDA) receptor antagonist: binding and patch clamp studies. J Neural Transm Gen Sect. 1995;102(3):237-46."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C		Orphenadrine H1-Antihistamine Action	drug_action		10171	46506085	D08305	PA450715		DAP000858	Orphenadrine	CHEMBL900	7715
DB01173	Orphenadrine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 2578597	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rumore MM, Schlichting DA: Analgesic effects of antihistaminics. Life Sci. 1985 Feb 4;36(5):403-16."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C		Orphenadrine H1-Antihistamine Action	drug_action		10171	46506085	D08305	PA450715		DAP000858	Orphenadrine	CHEMBL900	7715
DB01173	Orphenadrine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	10344632	"Pubill D, Canudas AM, Pallas M, Sureda FX, Escubedo E, Camins A, Camarasa J: Assessment of the adrenergic effects of orphenadrine in rat vas deferens. J Pharm Pharmacol. 1999 Mar;51(3):307-12."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C		Orphenadrine H1-Antihistamine Action	drug_action		10171	46506085	D08305	PA450715		DAP000858	Orphenadrine	CHEMBL900	7715
DB01173	Orphenadrine	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	inhibitor	10344632	"Pubill D, Canudas AM, Pallas M, Sureda FX, Escubedo E, Camins A, Camarasa J: Assessment of the adrenergic effects of orphenadrine in rat vas deferens. J Pharm Pharmacol. 1999 Mar;51(3):307-12."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Miscellaneous Skeletal Muscle Relaxants; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Agents producing tachycardia; Benzene Derivatives; Cholinergic Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Autonomic Agents; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Inhibitors (strong); Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Muscle Relaxants; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Musculo-Skeletal System; Anti-Parkinson Drugs; Cytochrome P-450 CYP2D6 Inhibitors (strong); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Ethers, Chemically Close to Antihistamines; Peripheral Nervous System Agents; Parasympatholytics; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Benzhydryl Compounds; Ethylamines; Centrally-mediated Muscle Relaxation; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C		Orphenadrine H1-Antihistamine Action	drug_action		10171	46506085	D08305	PA450715		DAP000858	Orphenadrine	CHEMBL900	7715
DB01174	Phenobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1					8280	46505776	D00506	PA450911		DAP000061	Phenobarbital	CHEMBL40	8134
DB01174	Phenobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1					8280	46505776	D00506	PA450911		DAP000061	Phenobarbital	CHEMBL40	8134
DB01174	Phenobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207; 20051697	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Jin LJ, Schlesinger F, Song YP, Dengler R, Krampfl K: The interaction of the neuroprotective compounds riluzole and phenobarbital with AMPA-type glutamate receptors: a patch-clamp study. Pharmacology. 2010;85(1):54-62. doi: 10.1159/000268641. Epub 2009 Dec 23."	Approved; Investigational	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1					8280	46505776	D00506	PA450911		DAP000061	Phenobarbital	CHEMBL40	8134
DB01174	Phenobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Investigational	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1					8280	46505776	D00506	PA450911		DAP000061	Phenobarbital	CHEMBL40	8134
DB01174	Phenobarbital	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	14977870; 15039302	"Faucette SR, Wang H, Hamilton GA, Jolley SL, Gilbert D, Lindley C, Yan B, Negishi M, LeCluyse EL: Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers. Drug Metab Dispos. 2004 Mar;32(3):348-58.@@Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved; Investigational	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	UGT1A1 Inducers; BSEP/ABCB11 inducers; Nicotinic Antagonists; Cytochrome P-450 CYP2E1 Inducers (weak); Cytochrome P-450 CYP1A2 Inducers; Phenobarbital and similars; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP3A7 Inducers; Excitatory Amino Acid Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates and Derivatives; Cytochrome P-450 CYP2E1 Inducers (strength unknown); GABA Agents; Cytochrome P-450 CYP3A5 Inducers (strong); Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2B6 Inducers; Anticholinergic Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inducers; GABA Modulators; UGT2B7 inducers; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers (strong); Cytochrome P-450 CYP2C18 Substrates; Barbiturates; Methemoglobinemia Associated Agents; Pyrimidinones; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Chemically-Induced Disorders; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1					8280	46505776	D00506	PA450911		DAP000061	Phenobarbital	CHEMBL40	8134
DB01175	Escitalopram	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	11543737; 12387707; 12665392; 12719960; 17916059; 12876551; 19616061; 24424469	"Owens MJ, Knight DL, Nemeroff CB: Second-generation SSRIs: human monoamine transporter binding profile of escitalopram and R-fluoxetine. Biol Psychiatry. 2001 Sep 1;50(5):345-50.@@Burke WJ: Escitalopram. Expert Opin Investig Drugs. 2002 Oct;11(10):1477-86.@@Waugh J, Goa KL: Escitalopram : a review of its use in the management of major depressive and anxiety disorders. CNS Drugs. 2003;17(5):343-62.@@Sanchez C, Bergqvist PB, Brennum LT, Gupta S, Hogg S, Larsen A, Wiborg O: Escitalopram, the S-(+)-enantiomer of citalopram, is a selective serotonin reuptake inhibitor with potent effects in animal models predictive of antidepressant and anxiolytic activities. Psychopharmacology (Berl). 2003 Jun;167(4):353-62. Epub 2003 Apr 26.@@Bareggi SR, Mundo E, Dell'Osso B, Altamura AC: The use of escitalopram beyond major depression: pharmacological aspects, efficacy and tolerability in anxiety disorders. Expert Opin Drug Metab Toxicol. 2007 Oct;3(5):741-53.@@Fabre V, Hamon M: [Mechanisms of action of antidepressants: new data from Escitalopram]. Encephale. 2003 May-Jun;29(3 Pt 1):259-65.@@Zhong H, Hansen KB, Boyle NJ, Han K, Muske G, Huang X, Egebjerg J, Sanchez C: An allosteric binding site at the human serotonin transporter mediates the inhibition of escitalopram by R-citalopram: kinetic binding studies with the ALI/VFL-SI/TT mutant. Neurosci Lett. 2009 Oct 25;462(3):207-12. doi: 10.1016/j.neulet.2009.07.030. Epub 2009 Jul 16.@@Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01175	Escitalopram	BE0000442	HRH1	P35367	HRH1_HUMAN	inhibitor	24424469	"Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01175	Escitalopram	BE0000533	HTR2C	P28335	5HT2C_HUMAN	inhibitor	24424469	"Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01175	Escitalopram	BE0000756	DRD2	P14416	DRD2_HUMAN	inhibitor	24424469	"Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01175	Escitalopram	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	24424469	"Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01175	Escitalopram	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	24424469	"Sanchez C, Reines EH, Montgomery SA: A comparative review of escitalopram, paroxetine, and sertraline: Are they all alike? Int Clin Psychopharmacol. 2014 Jul;29(4):185-96. doi: 10.1097/YIC.0000000000000023."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Psychoanaleptics; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Nitriles; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Highest Risk QTc-Prolonging Agents; Monoamine Oxidase A Substrates; Neurotransmitter Agents; Benzofurans; Nervous System; Antidepressive Agents, Second-Generation; Propylamines"	CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1		Escitalopram Action Pathway	drug_action		13585	46507040		PA10074		DAP000741	Escitalopram	CHEMBL1508	321988
DB01176	Cyclizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11752352; 1983158	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Leza JC, Lizasoain I, Lorenzo P: H1- and H2-histamine receptor blockers and opiate analgesia in mice. Methods Find Exp Clin Pharmacol. 1990 Dec;12(10):671-8."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Piperazines; Histamine H1 Antagonists; Gastrointestinal Agents; Autonomic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Potential QTc-Prolonging Agents; Piperazine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Peripheral Nervous System Agents; Central Nervous System Agents; Neurotransmitter Agents; Antiemetics; Antihistamines for Systemic Use; Histamine Agents	CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cyclizine H1-Antihistamine Action	drug_action		9109	46506232	D03621	PA164742937		DAP000337	Cyclizine	CHEMBL648	2977
DB01179	Podofilox	BE0001391	TUBA4A	P68366	TBA4A_HUMAN	inhibitor	20979080; 20814887; 20810285; 20657644; 19286405; 1411635	"Labruere R, Gautier B, Testud M, Seguin J, Lenoir C, Desbene-Finck S, Helissey P, Garbay C, Chabot GG, Vidal M, Giorgi-Renault S: Design, synthesis, and biological evaluation of the first podophyllotoxin analogues as potential vascular-disrupting agents. ChemMedChem. 2010 Dec 3;5(12):2016-25. doi: 10.1002/cmdc.201000305.@@Li CM, Lu Y, Ahn S, Narayanan R, Miller DD, Dalton JT: Competitive mass spectrometry binding assay for characterization of three binding sites of tubulin. J Mass Spectrom. 2010 Oct;45(10):1160-6. doi: 10.1002/jms.1804.@@Kim ND, Park ES, Kim YH, Moon SK, Lee SS, Ahn SK, Yu DY, No KT, Kim KH: Structure-based virtual screening of novel tubulin inhibitors and their characterization as anti-mitotic agents. Bioorg Med Chem. 2010 Oct 1;18(19):7092-100. doi: 10.1016/j.bmc.2010.07.072. Epub 2010 Aug 6.@@Screpanti E, Santaguida S, Nguyen T, Silvestri R, Gussio R, Musacchio A, Hamel E, De Wulf P: A screen for kinetochore-microtubule interaction inhibitors identifies novel antitubulin compounds. PLoS One. 2010 Jul 15;5(7):e11603. doi: 10.1371/journal.pone.0011603.@@Alam MA, Naik PK: Applying linear interaction energy method for binding affinity calculations of podophyllotoxin analogues with tubulin using continuum solvent model and prediction of cytotoxic activity. J Mol Graph Model. 2009 Jun-Jul;27(8):930-43. doi: 10.1016/j.jmgm.2009.02.003. Epub 2009 Feb 20.@@Clark PI: Clinical pharmacology and schedule dependency of the podophyllotoxin derivatives. Semin Oncol. 1992 Apr;19(2 Suppl 6):20-7."	Approved	Podophyllotoxins	"Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins"	"Mitosis Modulators; Tubulin Modulators; Lignans; Antiviral Agents; Decreased Mitosis; Antimitotic Agents; Naphthalenes; Tetrahydronaphthalenes; Antineoplastic Agents, Phytogenic; Benzyl Compounds; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Benzene Derivatives; Keratolytic Agents"	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O					910	46505716		PA450993		DNC001139	Podophyllotoxin	CHEMBL61	8463
DB01179	Podofilox	BE0000143	TUBB	P07437	TBB5_HUMAN	inhibitor	2011590	"Wolff J, Knipling L, Cahnmann HJ, Palumbo G: Direct photoaffinity labeling of tubulin with colchicine. Proc Natl Acad Sci U S A. 1991 Apr 1;88(7):2820-4."	Approved	Podophyllotoxins	"Organic compounds; Lignans, neolignans and related compounds; Lignan lactones; Podophyllotoxins"	"Mitosis Modulators; Tubulin Modulators; Lignans; Antiviral Agents; Decreased Mitosis; Antimitotic Agents; Naphthalenes; Tetrahydronaphthalenes; Antineoplastic Agents, Phytogenic; Benzyl Compounds; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Benzene Derivatives; Keratolytic Agents"	[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O					910	46505716		PA450993		DNC001139	Podophyllotoxin	CHEMBL61	8463
DB01180	Rescinnamine	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	17139284; 17016423; 16431399; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azhar I, Mazhar F, Manzar QN, Hussain I, Shamim S: Colorimetric determination of indolic drugs. Pak J Pharm Sci. 2005 Apr;18(2):48-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"Agents Acting on the Renin-Angiotensin System; Secologanin Tryptamine Alkaloids; Antiadrenergic Agents, Centrally Acting; Heterocyclic Compounds, Fused-Ring; Agents causing hyperkalemia; Indole Alkaloids; Indolizidines; Agents causing angioedema; Antihypertensive Agents; Alkaloids; Agents that produce hypertension; Angiotensin-Converting Enzyme Inhibitors; Indolizines; Indoles"	[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2		Rescinnamine Action Pathway	drug_action			46507786	D00198	PA164768818		DAP000910	Rescinnamine	CHEMBL1668	9259
DB01181	Ifosfamide	BE0000956	NR1I2	O75469	NR1I2_HUMAN		18839173	"Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7."	Approved	Isofamides	Organic compounds; Organoheterocyclic compounds; Oxazaphosphinanes; Isofamides	"Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Alkylating Activity; Organophosphorus Compounds; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Nitrogen Mustard Analogues; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Noxae; Nitrogen Mustard Compounds; Phosphoramides; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C18 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antineoplastic Agents, Alkylating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Methemoglobinemia Associated Agents; Hydrocarbons, Halogenated; Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Alkylating Drugs; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Phosphoramide Mustards; Narrow Therapeutic Index Drugs; Toxic Actions"	ClCCNP1(=O)OCCCN1CCCl		Ifosfamide Action Pathway; Ifosfamide Metabolism Pathway	drug_metabolism; drug_action		1747	46508335	D00343	PA449964		DAP000537	Ifosfamide	CHEMBL1024	5657
DB01182	Propafenone	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	16463141	"Edrich T, Wang SY, Wang GK: State-dependent block of human cardiac hNav1.5 sodium channels by propafenone. J Membr Biol. 2005 Sep;207(1):35-43. doi: 10.1007/s00232-005-0801-4."	Approved	"Linear 1,3-diarylpropanoids"	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids"	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Propiophenones; Cytochrome P-450 CYP3A Substrates; Antiarrhythmics, Class Ic; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Ketones; Adrenergic Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Adrenergic beta-Antagonists; Cardiac Therapy; Antiarrhythmics, Class I; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCCNCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1					1893	46504529	D08435	PA451131		DAP000497	Propafenone	CHEMBL631	8754
DB01183	Naloxone	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	17305578; 17367258; 18354714	"Peng X, Neumeyer JL: Kappa receptor bivalent ligands. Curr Top Med Chem. 2007;7(4):363-73.@@van Dorp E, Yassen A, Dahan A: Naloxone treatment in opioid addiction: the risks and benefits. Expert Opin Drug Saf. 2007 Mar;6(2):125-32.@@Helm S, Trescot AM, Colson J, Sehgal N, Silverman S: Opioid antagonists, partial agonists, and agonists/antagonists: the role of office-based detoxification. Pain Physician. 2008 Mar-Apr;11(2):225-35."	Approved; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation"	OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O		Naloxone Action Pathway	drug_action		20137	46508816	D08249	PA450586		DAP000097	Naloxone	CHEMBL80	7242
DB01183	Naloxone	BE0000958	CREB1	P16220	CREB1_HUMAN	other/unknown	12956944; 12969258; 14653953; 15953421; 16417577	"Li J, Li YH, Yuan XR: Changes of phosphorylation of cAMP response element binding protein in rat nucleus accumbens after chronic ethanol intake: naloxone reversal. Acta Pharmacol Sin. 2003 Sep;24(9):930-6.@@Chartoff EH, Papadopoulou M, Konradi C, Carlezon WA Jr: Dopamine-dependent increases in phosphorylation of cAMP response element binding protein (CREB) during precipitated morphine withdrawal in primary cultures of rat striatum. J Neurochem. 2003 Oct;87(1):107-18.@@Gao C, Chen LW, Tao YM, Chen J, Xu XJ, Chi ZQ: Effects of ohmefentanyl stereoisomers on phosphorylation of cAMP- response element binding protein in cultured rat hippocampal neurons. Acta Pharmacol Sin. 2003 Dec;24(12):1253-8.@@Walters CL, Cleck JN, Kuo YC, Blendy JA: Mu-opioid receptor and CREB activation are required for nicotine reward. Neuron. 2005 Jun 16;46(6):933-43.@@Hawes JJ, Narasimhaiah R, Picciotto MR: Galanin attenuates cyclic AMP regulatory element-binding protein (CREB) phosphorylation induced by chronic morphine and naloxone challenge in Cath.a cells and primary striatal cultures. J Neurochem. 2006 Feb;96(4):1160-8. Epub 2006 Jan 17."	Approved; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation"	OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O		Naloxone Action Pathway	drug_action		20137	46508816	D08249	PA450586		DAP000097	Naloxone	CHEMBL80	7242
DB01183	Naloxone	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	16546975	"Farooqui M, Geng ZH, Stephenson EJ, Zaveri N, Yee D, Gupta K: Naloxone acts as an antagonist of estrogen receptor activity in MCF-7 cells. Mol Cancer Ther. 2006 Mar;5(3):611-20."	Approved; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Natural Opium Alkaloids; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Antidotes; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peripheral Opioid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C18 Substrates; Phenanthrenes; Morphinans; Central Nervous System Agents; UGT1A1 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Nervous System; Opiate Alkaloids; Opiate Antagonists; Drugs for Constipation"	OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O		Naloxone Action Pathway	drug_action		20137	46508816	D08249	PA450586		DAP000097	Naloxone	CHEMBL80	7242
DB01184	Domperidone	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	8301582	"Freedman SB, Patel S, Marwood R, Emms F, Seabrook GR, Knowles MR, McAllister G: Expression and pharmacological characterization of the human D3 dopamine receptor. J Pharmacol Exp Ther. 1994 Jan;268(1):417-26."	Approved; Investigational; Vet_approved	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; Peripheral Nervous System Agents; Piperidines; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Benzimidazoles"	ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2					1840	46508314	D01745	PA134711056		DAP001368	Domperidone	CHEMBL219916	3626
DB01184	Domperidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12010185; 15894081; 1683559; 11752352; 18970411	"Cavallotti C, Nuti F, Bruzzone P, Mancone M: Age-related changes in dopamine D2 receptors in rat heart and coronary vessels. Clin Exp Pharmacol Physiol. 2002 May-Jun;29(5-6):412-8.@@Osinski MA, Uchic ME, Seifert T, Shaughnessy TK, Miller LN, Nakane M, Cox BF, Brioni JD, Moreland RB: Dopamine D2, but not D4, receptor agonists are emetogenic in ferrets. Pharmacol Biochem Behav. 2005 May;81(1):211-9.@@de Mey C, Enterling D, Meineke I, Yeulet S: Interactions between domperidone and ropinirole, a novel dopamine D2-receptor agonist. Br J Clin Pharmacol. 1991 Oct;32(4):483-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ali I, Gupta VK, Singh P, Pant HV: Screening of domperidone in wastewater by high performance liquid chromatography and solid phase extraction methods. Talanta. 2006 Jan 15;68(3):928-31. doi: 10.1016/j.talanta.2005.06.027. Epub 2005  Jul 22."	Approved; Investigational; Vet_approved	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; Peripheral Nervous System Agents; Piperidines; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Benzimidazoles"	ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2					1840	46508314	D01745	PA134711056		DAP001368	Domperidone	CHEMBL219916	3626
DB01185	Fluoxymesterone	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	16538529; 10637238; 7044524; 8622076; 3058238	"Ingle JN, Suman VJ, Mailliard JA, Kugler JW, Krook JE, Michalak JC, Pisansky TM, Wold LE, Donohue JH, Goetz MP, Perez EA: Randomized trial of tamoxifen alone or combined with fluoxymesterone as adjuvant therapy in postmenopausal women with resected estrogen receptor positive breast cancer. North Central Cancer Treatment Group Trial 89-30-52. Breast Cancer Res Treat. 2006 Jul;98(2):217-22. Epub 2006 Mar 15.@@Sledge GW Jr, Hu P, Falkson G, Tormey D, Abeloff M: Comparison of chemotherapy with chemohormonal therapy as first-line therapy for metastatic, hormone-sensitive breast cancer: An Eastern Cooperative Oncology Group study. J Clin Oncol. 2000 Jan;18(2):262-6.@@Pearson OH, Manni A, Arafah BM: Antiestrogen treatment of breast cancer: an overview. Cancer Res. 1982 Aug;42(8 Suppl):3424s-3429s.@@Perloff M, Norton L, Korzun AH, Wood WC, Carey RW, Gottlieb A, Aust JC, Bank A, Silver RT, Saleh F, Canellos GP, Perry MC, Weiss RB, Holland JF: Postsurgical adjuvant chemotherapy of stage II breast carcinoma with or without crossover to a non-cross-resistant regimen: a Cancer and Leukemia Group B study. J Clin Oncol. 1996 May;14(5):1589-98.@@Swain SM, Steinberg SM, Bagley C, Lippman ME: Tamoxifen and fluoxymesterone versus tamoxifen and danazol in metastatic breast cancer--a randomized study. Breast Cancer Res Treat. 1988 Sep;12(1):51-7."	Approved; Illicit	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Steroids, Fluorinated; Androgens; Androstenols; 3-Oxoandrosten (4) Derivatives; Androstanes; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Steroids; Androstenes; Androstenediols; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7460	46508867	D00327	PA164744518		DAP000904	Fluoxymesterone	CHEMBL1445	4494
DB01185	Fluoxymesterone	BE0000794	NR3C1	P04150	GCR_HUMAN	antagonist	173192	"Mayer M, Rosen F: Interaction of anabolic steroids with glucocorticoid receptor sites in rat muscle cytosol. Am J Physiol. 1975 Nov;229(5):1381-6."	Approved; Illicit	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Steroids, Fluorinated; Androgens; Androstenols; 3-Oxoandrosten (4) Derivatives; Androstanes; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Steroids; Androstenes; Androstenediols; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7460	46508867	D00327	PA164744518		DAP000904	Fluoxymesterone	CHEMBL1445	4494
DB01186	Pergolide	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	2860228; 1674528; 18691132; 10641988; 10516878; 16842172; 3828803	"Fuller RW, Hemrick-Luecke SK, Perry KW, Toomey RE: Pergolide elevation of MHPG sulphate concentration in rat hypothalamus blocked by spiperone and mimicked by other dopamine agonists. J Pharm Pharmacol. 1985 Apr;37(4):268-70.@@Huettl P, Gerhardt GA, Browning MD, Masserano JM: Effects of dopamine receptor agonists and antagonists on catecholamine release in bovine chromaffin cells. J Pharmacol Exp Ther. 1991 May;257(2):567-74.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Linazasoro G, Obeso JA, Gomez JC, Martinez M, Antonini A, Leenders KL: Modification of dopamine D2 receptor activity by pergolide in Parkinson's disease: an in vivo study by PET. Clin Neuropharmacol. 1999 Sep-Oct;22(5):277-80.@@Mehta MA, Riedel WJ: Dopaminergic enhancement of cognitive function. Curr Pharm Des. 2006;12(20):2487-500.@@Paturle L, Fage D, Fourrier O, Vernier P, Feuerstein C, Demenge P, Scatton B: Cortical ablation fails to influence striatal dopamine target cell supersensitivity induced by nigrostriatal denervation in the rat. Brain Res. 1987 Feb 3;402(2):383-6."	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01186	Pergolide	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132; 10641988; 1683537	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Wachtel H: Antiparkinsonian dopamine agonists: a review of the pharmacokinetics and neuropharmacology in animals and humans. J Neural Transm Park Dis Dement Sect. 1991;3(3):151-201."	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01186	Pergolide	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	18691132; 10641988	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01186	Pergolide	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	18703043; 18691132; 10641988	"Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01186	Pergolide	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	10641988	Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01186	Pergolide	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	10641988	Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.	Approved; Investigational; Vet_approved; Withdrawn	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Adrenergic alpha-Agonists; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Ergot-derived Dopamine Receptor Agonist; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Neurotransmitter Agents; Nervous System; Dopamine Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC					11339	46507604		PA450873		DAP000069	Pergolide	CHEMBL531	8047
DB01188	Ciclopirox	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	binder	12760852	"Niewerth M, Kunze D, Seibold M, Schaller M, Korting HC, Hube B: Ciclopirox olamine treatment affects the expression pattern of Candida albicans genes encoding virulence factors, iron metabolism proteins, and drug resistance factors. Antimicrob Agents Chemother. 2003 Jun;47(6):1805-17."	Approved; Investigational	Pyridinones	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	"Decreased RNA Replication; Anti-Infective Agents; Decreased Protein Synthesis; Decreased DNA Replication; Cycloparaffins; Antifungals for Topical Use; Pyridones; Antifungal Agents; Protein Synthesis Inhibitors; Gynecological Antiinfectives and Antiseptics; Antifungals for Dermatological Use; Dermatologicals; Genito Urinary System and Sex Hormones; Cyclohexanes; Vaginal Creams, Foams, and Jellies; Pyridines; Hydroxypyridones"	CC1=CC(=O)N(O)C(=C1)C1CCCCC1					12378	46506333	D03488	PA164747060		DAP000466	Ciclopirox	CHEMBL1413	21090
DB01189	Desflurane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	11752090; 18384456	"Mohler H, Fritschy JM, Rudolph U: A new benzodiazepine pharmacology. J Pharmacol Exp Ther. 2002 Jan;300(1):2-8.@@Riss J, Cloyd J, Gates J, Collins S: Benzodiazepines in epilepsy: pharmacology and pharmacokinetics. Acta Neurol Scand. 2008 Aug;118(2):69-86. doi: 10.1111/j.1600-0404.2008.01004.x. Epub 2008 Mar 31."	Approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated"	FC(F)OC(F)C(F)(F)F					8	46505270	D00546	PA164749136		DAP000693	Desflurane	CHEMBL1200733	27340
DB01189	Desflurane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	17139284; 17016423; 16973644	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Grasshoff C, Antkowiak B: Effects of isoflurane and enflurane on GABAA and glycine receptors contribute equally to depressant actions on spinal ventral horn neurones in rats. Br J Anaesth. 2006 Nov;97(5):687-94. doi: 10.1093/bja/ael239. Epub 2006 Sep 13."	Approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated"	FC(F)OC(F)C(F)(F)F					8	46505270	D00546	PA164749136		DAP000693	Desflurane	CHEMBL1200733	27340
DB01189	Desflurane	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	17139284; 17016423; 8786535	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dildy-Mayfield JE, Eger EI 2nd, Harris RA: Anesthetics produce subunit-selective actions on glutamate receptors. J Pharmacol Exp Ther. 1996 Mar;276(3):1058-65."	Approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated"	FC(F)OC(F)C(F)(F)F					8	46505270	D00546	PA164749136		DAP000693	Desflurane	CHEMBL1200733	27340
DB01189	Desflurane	BE0010002	ATP2C1	P16615	AT2A2_HUMAN	inhibitor	7873420	Kosk-Kosicka D: Plasma membrane Ca(2+)-ATPase as a target for volatile anesthetics. Adv Pharmacol. 1994;31:313-22.	Approved	Organofluorides	Organic compounds; Organohalogen compounds; Organofluorides	"Cytochrome P-450 CYP2E1 Substrates; Hydrocarbons, Halogenated; Hypotensive Agents; Potential QTc-Prolonging Agents; Anesthetics, General; Methyl Ethers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; QTc Prolonging Agents; Anesthetics; Ethers; Nervous System; Agents that produce hypertension; Anesthetics, Inhalation; Ethyl Ethers; Hydrocarbons, Fluorinated"	FC(F)OC(F)C(F)(F)F					8	46505270	D00546	PA164749136		DAP000693	Desflurane	CHEMBL1200733	27340
DB01191	Dexfenfluramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	11259539; 11325413; 14515341; 14675103; 15266556	"Eddahibi S, Adnot S, Frisdal E, Levame M, Hamon M, Raffestin B: Dexfenfluramine-associated changes in 5-hydroxytryptamine transporter expression and development of hypoxic pulmonary hypertension in rats. J Pharmacol Exp Ther. 2001 Apr;297(1):148-54.@@Russell BR, Laverty R: The effect of (R)-HA966 or ACEA 1021 on dexfenfluramine or (S)-MDMA-induced changes in temperature, activity, and neurotoxicity. Pharmacol Biochem Behav. 2001 Mar;68(3):565-74.@@Rothman RB, Jayanthi S, Wang X, Dersch CM, Cadet JL, Prisinzano T, Rice KC, Baumann MH: High-dose fenfluramine administration decreases serotonin transporter binding, but not serotonin transporter protein levels, in rat forebrain. Synapse. 2003 Dec 1;50(3):233-9.@@Johnson GJ, Leis LA, Dunlop PC, Weir EK: The effect of the anorectic agent, d-fenfluramine, and its primary metabolite, d-norfenfluramine, on intact human platelet serotonin uptake and efflux. J Thromb Haemost. 2003 Dec;1(12):2663-8.@@Wang X, Baumann MH, Xu H, Rothman RB: 3,4-methylenedioxymethamphetamine (MDMA) administration to rats decreases brain tissue serotonin but not serotonin transporter protein and glial fibrillary acidic protein. Synapse. 2004 Sep 15;53(4):240-8."	Approved; Illicit; Investigational; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP2E1 Inhibitors (weak); Phenethylamines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Neurotransmitter Agents; Ethylamines; Cytochrome P-450 CYP1A2 Substrates"	CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F						46508388	D07805	PA164747936		DAP001224	Dexfenfluramine	CHEMBL248702	3268
DB01191	Dexfenfluramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	10353435; 11198050; 11489456; 11888565; 12678838	"Vickers SP, Clifton PG, Dourish CT, Tecott LH: Reduced satiating effect of d-fenfluramine in serotonin 5-HT(2C) receptor mutant mice. Psychopharmacology (Berl). 1999 Apr;143(3):309-14.@@Wilson AW, Costall B, Neill JC: Manipulation of operant responding for an ethanol-paired conditioned stimulus in the rat by pharmacological alteration of the serotonergic system. J Psychopharmacol. 2000;14(4):340-6.@@Vickers SP, Dourish CT, Kennett GA: Evidence that hypophagia induced by d-fenfluramine and d-norfenfluramine in the rat is mediated by 5-HT2C receptors. Neuropharmacology. 2001 Aug;41(2):200-9.@@Tomkins DM, Joharchi N, Tampakeras M, Martin JR, Wichmann J, Higgins GA: An investigation of the role of 5-HT(2C) receptors in modifying ethanol self-administration behaviour. Pharmacol Biochem Behav. 2002 Apr;71(4):735-44.@@Bickerdike MJ: 5-HT2C receptor agonists as potential drugs for the treatment of obesity. Curr Top Med Chem. 2003;3(8):885-97."	Approved; Illicit; Investigational; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Centrally Acting Antiobesity Products; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2D6 Substrates; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP2E1 Inhibitors (weak); Phenethylamines; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Neurotransmitter Agents; Ethylamines; Cytochrome P-450 CYP1A2 Substrates"	CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F						46508388	D07805	PA164747936		DAP001224	Dexfenfluramine	CHEMBL248702	3268
DB01194	Brinzolamide	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	14684332; 11224713	"Winum JY, Casini A, Mincione F, Starnotti M, Montero JL, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits. Bioorg Med Chem Lett. 2004 Jan 5;14(1):225-9.@@Herkel U, Pfeiffer N: Update on topical carbonic anhydrase inhibitors. Curr Opin Ophthalmol. 2001 Apr;12(2):88-93."	Approved	Thienothiazines	Organic compounds; Organoheterocyclic compounds; Thienothiazines	Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11799	46507071	D00652	PA164744929		DAP000602	Brinzolamide	CHEMBL220491	194881
DB01194	Brinzolamide	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	14971907	"Vullo D, Franchi M, Gallori E, Antel J, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem. 2004 Feb 26;47(5):1272-9."	Approved	Thienothiazines	Organic compounds; Organoheterocyclic compounds; Thienothiazines	Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11799	46507071	D00652	PA164744929		DAP000602	Brinzolamide	CHEMBL220491	194881
DB01194	Brinzolamide	BE0003626	CA5A	P35218	CAH5A_HUMAN	inhibitor	14971907	"Vullo D, Franchi M, Gallori E, Antel J, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides. J Med Chem. 2004 Feb 26;47(5):1272-9."	Approved	Thienothiazines	Organic compounds; Organoheterocyclic compounds; Thienothiazines	Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11799	46507071	D00652	PA164744929		DAP000602	Brinzolamide	CHEMBL220491	194881
DB01194	Brinzolamide	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Approved	Thienothiazines	Organic compounds; Organoheterocyclic compounds; Thienothiazines	Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Ophthalmics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Antiglaucoma Preparations and Miotics; Genito Urinary System and Sex Hormones; Sulfonamides; Cytochrome P-450 CYP2A6 Substrates; Diuretics; Cytochrome P-450 CYP3A4 Substrates; Carbonic Anhydrase Inhibitors; Ophthalmologicals; Cytochrome P-450 CYP2C9 Substrates; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Sensory Organs	CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O					11799	46507071	D00652	PA164744929		DAP000602	Brinzolamide	CHEMBL220491	194881
DB01195	Flecainide	BE0002083	SCN4A	P35499	SCN4A_HUMAN	inhibitor	14608015	"Desaphy JF, De Luca A, Didonna MP, George AL Jr, Camerino Conte D: Different flecainide sensitivity of hNav1.4 channels and myotonic mutants explained by state-dependent block. J Physiol. 2004 Jan 15;554(Pt 2):321-34. Epub 2003 Nov 7."	Approved; Withdrawn	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Sodium Channel Blockers; QTc Prolonging Agents; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Antiarrhythmics, Class Ic; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Piperidines; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1		Flecainide Action Pathway	drug_action		1864	46508078	D07962	PA449646		DAP000518	Flecainide	CHEMBL652	4441
DB01195	Flecainide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	10617684; 10758053; 10961955; 11307783; 11535580; 15272045; 11196553; 12601084; 11752352	"Nagatomo T, January CT, Makielski JC: Preferential block of late sodium current in the LQT3 DeltaKPQ mutant by the class I(C) antiarrhythmic flecainide. Mol Pharmacol. 2000 Jan;57(1):101-7.@@Benhorin J, Taub R, Goldmit M, Kerem B, Kass RS, Windman I, Medina A: Effects of flecainide in patients with new SCN5A mutation: mutation-specific therapy for long-QT syndrome? Circulation. 2000 Apr 11;101(14):1698-706.@@Priori SG, Napolitano C, Schwartz PJ, Bloise R, Crotti L, Ronchetti E: The elusive link between LQT3 and Brugada syndrome: the role of flecainide challenge. Circulation. 2000 Aug 29;102(9):945-7.@@Cerrone M, Crotti L, Faggiano G, De Michelis V, Napolitano C, Schwartz PJ, Priori SG: [Long QT syndrome and Brugada syndrome: 2 aspects of the same disease?]. Ital Heart J Suppl. 2001 Mar;2(3):253-7.@@Viswanathan PC, Bezzina CR, George AL Jr, Roden DM, Wilde AA, Balser JR: Gating-dependent mechanisms for flecainide action in SCN5A-linked arrhythmia syndromes. Circulation. 2001 Sep 4;104(10):1200-5.@@Ramos E, O'leary ME: State-dependent trapping of flecainide in the cardiac sodium channel. J Physiol. 2004 Oct 1;560(Pt 1):37-49. Epub 2004 Jul 22.@@Shimizu W, Antzelevitch C, Suyama K, Kurita T, Taguchi A, Aihara N, Takaki H, Sunagawa K, Kamakura S: Effect of sodium channel blockers on ST segment, QRS duration, and corrected QT interval in patients with Brugada syndrome. J Cardiovasc Electrophysiol. 2000 Dec;11(12):1320-9.@@Liu H, Atkins J, Kass RS: Common molecular determinants of flecainide and lidocaine block of heart Na+ channels: evidence from experiments with neutral and quaternary flecainide analogues. J Gen Physiol. 2003 Mar;121(3):199-214.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Withdrawn	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Sodium Channel Blockers; QTc Prolonging Agents; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Antiarrhythmics, Class Ic; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Piperidines; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1		Flecainide Action Pathway	drug_action		1864	46508078	D07962	PA449646		DAP000518	Flecainide	CHEMBL652	4441
DB01195	Flecainide	BE0005295	RYR2	Q92736	RYR2_HUMAN	inhibitor	25274603	"Mehra D, Imtiaz MS, van Helden DF, Knollmann BC, Laver DR: Multiple modes of ryanodine receptor 2 inhibition by flecainide. Mol Pharmacol. 2014 Dec;86(6):696-706. doi: 10.1124/mol.114.094623. Epub 2014 Oct 1."	Approved; Withdrawn	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Sodium Channel Blockers; QTc Prolonging Agents; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Antiarrhythmics, Class Ic; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Piperidines; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Substrates"	FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1		Flecainide Action Pathway	drug_action		1864	46508078	D07962	PA449646		DAP000518	Flecainide	CHEMBL652	4441
DB01196	Estramustine	BE0000792	ESR2	Q92731	ESR2_HUMAN	other/unknown	14755680	Ho SM: Estrogens and anti-estrogens: key mediators of prostate carcinogenesis and new therapeutic candidates. J Cell Biochem. 2004 Feb 15;91(3):491-503.	Approved; Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]					2103	46508765	D04066	PA449507		DAP001307	Estramustine	CHEMBL1575	4089
DB01196	Estramustine	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	3314674; 3989343; 7703721; 6364362	"Ferno M, Borg A, Ingvar C, Jonsson PE: Estrogen receptor and binding site for estramustine in metastatic malignant melanoma. Anticancer Res. 1987 Jul-Aug;7(4B):741-3.@@Yoshizumi N: [The effects of site-directed chemotherapy due to E2 as a drug carrier to the human endometrial adenocarcinoma cells in vitro]. Nihon Sanka Fujinka Gakkai Zasshi. 1985 Apr;37(4):637-45.@@von Schoultz E, Carlstrom K, Henriksson R, Lagerlof B, Hansson J: Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5.@@Tew KD: The mechanism of action of estramustine. Semin Oncol. 1983 Sep;10(3 Suppl 3):21-6."	Approved; Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]					2103	46508765	D04066	PA449507		DAP001307	Estramustine	CHEMBL1575	4089
DB01196	Estramustine	BE0001100	MAP2	P11137	MTAP2_HUMAN	antagonist	1599956; 1647395; 1908244; 2125244; 2679799; 6364362	"Moraga D, Rivas-Berrios A, Farias G, Wallin M, Maccioni RB: Estramustine-phosphate binds to a tubulin binding domain on microtubule-associated proteins MAP-2 and tau. Biochim Biophys Acta. 1992 May 22;1121(1-2):97-103.@@Stearns ME, Wang M, Sousa O: Evidence that estramustine binds MAP-1A to inhibit type IV collagenase secretion. J Cell Sci. 1991 Jan;98 ( Pt 1):55-63.@@Friden B, Rutberg M, Deinum J, Wallin M: The effect of estramustine derivatives on microtubule assembly in vitro depends on the charge of the substituent. Biochem Pharmacol. 1991 Aug 8;42(5):997-1006.@@Burns RG: Stoichiometry of estramustine phosphate binding to MAP2 measured by the disassembly of chick brain MAP2:tubulin microtubules. Cell Motil Cytoskeleton. 1990;17(3):167-73.@@Falconer MM, Vielkind U, Brown DL: Association of acetylated microtubules, vimentin intermediate filaments, and MAP 2 during early neural differentiation in EC cell culture. Biochem Cell Biol. 1989 Sep;67(9):537-44.@@Tew KD: The mechanism of action of estramustine. Semin Oncol. 1983 Sep;10(3 Suppl 3):21-6."	Approved; Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Alkylating Activity; Cytochrome P-450 CYP3A Substrates; Mustard Compounds; Noxae; Estradiol Congeners; Nitrogen Mustard Compounds; Estrenes; Cytochrome P-450 Substrates; Estranes; Steroids; Antineoplastic Agents; P-glycoprotein inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Alkylating; Hydrocarbons, Halogenated; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Antineoplastic Agents, Hormonal; Toxic Actions"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]					2103	46508765	D04066	PA449507		DAP001307	Estramustine	CHEMBL1575	4089
DB01197	Captopril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	17618628; 20014331; 15236580; 11030016; 11929321; 16889963; 11752352	"Andujar-Sanchez M, Jara-Perez V, Camara-Artigas A: Thermodynamic determination of the binding constants of angiotensin-converting enzyme inhibitors by a displacement method. FEBS Lett. 2007 Jul 24;581(18):3449-54. Epub 2007 Jun 27.@@Dalkas GA, Marchand D, Galleyrand JC, Martinez J, Spyroulias GA, Cordopatis P, Cavelier F: Study of a lipophilic captopril analogue binding to angiotensin I converting enzyme. J Pept Sci. 2010 Feb;16(2):91-7. doi: 10.1002/psc.1201.@@Natesh R, Schwager SL, Evans HR, Sturrock ED, Acharya KR: Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme. Biochemistry. 2004 Jul 13;43(27):8718-24.@@Piepho RW: Overview of the angiotensin-converting-enzyme inhibitors. Am J Health Syst Pharm. 2000 Oct 1;57 Suppl 1:S3-7.@@Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24.@@Tzakos AG, Naqvi N, Comporozos K, Pierattelli R, Theodorou V, Husain A, Gerothanassis IP: The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5084-7. Epub 2006 Aug 2.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Drugs causing inadvertant photosensitivity; OAT1/SLC22A6 Substrates; Imino Acids; Amino Acids, Cyclic"	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O		Captopril Action Pathway	drug_action		1983	46506879	D00251	PA448780		DAP000589	Captopril	CHEMBL1560	1998
DB01197	Captopril	BE0000642	MMP2	P08253	MMP2_HUMAN	inhibitor	17308006; 19057128; 10328230; 12381651; 15993560; 20184869	"Brower GL, Levick SP, Janicki JS: Inhibition of matrix metalloproteinase activity by ACE inhibitors prevents left ventricular remodeling in a rat model of heart failure. Am J Physiol Heart Circ Physiol. 2007 Jun;292(6):H3057-64. Epub 2007 Feb 16.@@Okada M, Kikuzuki R, Harada T, Hori Y, Yamawaki H, Hara Y: Captopril attenuates matrix metalloproteinase-2 and -9 in monocrotaline-induced right ventricular hypertrophy in rats. J Pharmacol Sci. 2008 Dec;108(4):487-94. Epub 2008 Dec 5.@@Prontera C, Mariani B, Rossi C, Poggi A, Rotilio D: Inhibition of gelatinase A (MMP-2) by batimastat and captopril reduces tumor growth and lung metastases in mice bearing Lewis lung carcinoma. Int J Cancer. 1999 May 31;81(5):761-6.@@Reinhardt D, Sigusch HH, Hensse J, Tyagi SC, Korfer R, Figulla HR: Cardiac remodelling in end stage heart failure: upregulation of matrix metalloproteinase (MMP) irrespective of the underlying disease, and evidence for a direct inhibitory effect of ACE inhibitors on MMP. Heart. 2002 Nov;88(5):525-30.@@Williams RN, Parsons SL, Morris TM, Rowlands BJ, Watson SA: Inhibition of matrix metalloproteinase activity and growth of gastric adenocarcinoma cells by an angiotensin converting enzyme inhibitor in in vitro and murine models. Eur J Surg Oncol. 2005 Nov;31(9):1042-50. Epub 2005 Jul 1.@@Yamamoto D, Takai S, Hirahara I, Kusano E: Captopril directly inhibits matrix metalloproteinase-2 activity in continuous ambulatory peritoneal dialysis therapy. Clin Chim Acta. 2010 May 2;411(9-10):762-4. doi: 10.1016/j.cca.2010.02.059. Epub  2010 Feb 22."	Approved	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Drugs causing inadvertant photosensitivity; OAT1/SLC22A6 Substrates; Imino Acids; Amino Acids, Cyclic"	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O		Captopril Action Pathway	drug_action		1983	46506879	D00251	PA448780		DAP000589	Captopril	CHEMBL1560	1998
DB01197	Captopril	BE0001680	LTA4H	P09960	LKHA4_HUMAN	inhibitor	12207002	"Thunnissen MM, Andersson B, Samuelsson B, Wong CH, Haeggstrom J: Crystal structures of leukotriene A4 hydrolase in complex with captopril and two competitive tight-binding inhibitors. FASEB J. 2002 Oct;16(12):1648-50. Epub 2002 Aug 7."	Approved	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Amino Acids; Drugs causing inadvertant photosensitivity; OAT1/SLC22A6 Substrates; Imino Acids; Amino Acids, Cyclic"	C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O		Captopril Action Pathway	drug_action		1983	46506879	D00251	PA448780		DAP000589	Captopril	CHEMBL1560	1998
DB01198	Zopiclone	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	19942638; 18973287; 20303942	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m.@@Ramerstorfer J, Furtmuller R, Vogel E, Huck S, Sieghart W: The point mutation gamma 2F77I changes the potency and efficacy of benzodiazepine site ligands in different GABAA receptor subtypes. Eur J Pharmacol. 2010 Jun 25;636(1-3):18-27. doi: 10.1016/j.ejphar.2010.03.015. Epub 2010 Mar 19."	Approved	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Aza Compounds; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Psycholeptics; Sleep Initiation and Maintenance Disorders; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Methemoglobinemia Associated Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System	CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					1200	46505233	D01372	PA10236		DAP000427	Zopiclone	CHEMBL135400	40001
DB01198	Zopiclone	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	19942638; 18973287; 20303942	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m.@@Ramerstorfer J, Furtmuller R, Vogel E, Huck S, Sieghart W: The point mutation gamma 2F77I changes the potency and efficacy of benzodiazepine site ligands in different GABAA receptor subtypes. Eur J Pharmacol. 2010 Jun 25;636(1-3):18-27. doi: 10.1016/j.ejphar.2010.03.015. Epub 2010 Mar 19."	Approved	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Aza Compounds; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Psycholeptics; Sleep Initiation and Maintenance Disorders; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Methemoglobinemia Associated Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System	CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					1200	46505233	D01372	PA10236		DAP000427	Zopiclone	CHEMBL135400	40001
DB01198	Zopiclone	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	19942638; 18973287; 6135616; 20303942	"Nutt DJ, Stahl SM: Searching for perfect sleep: the continuing evolution of GABAA receptor modulators as hypnotics. J Psychopharmacol. 2010 Nov;24(11):1601-12. doi: 10.1177/0269881109106927. Epub 2009 Nov 26.@@Hanson SM, Morlock EV, Satyshur KA, Czajkowski C: Structural requirements for eszopiclone and zolpidem binding to the gamma-aminobutyric acid type-A (GABAA) receptor are different. J Med Chem. 2008 Nov 27;51(22):7243-52. doi: 10.1021/jm800889m.@@Skerritt JH, Johnston GA: Enhancement of GABA binding by benzodiazepines and related anxiolytics. Eur J Pharmacol. 1983 May 6;89(3-4):193-8.@@Ramerstorfer J, Furtmuller R, Vogel E, Huck S, Sieghart W: The point mutation gamma 2F77I changes the potency and efficacy of benzodiazepine site ligands in different GABAA receptor subtypes. Eur J Pharmacol. 2010 Jun 25;636(1-3):18-27. doi: 10.1016/j.ejphar.2010.03.015. Epub 2010 Mar 19."	Approved	Cyclopyrrolones	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrazines; Cyclopyrrolones	Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Aza Compounds; Zopiclone and prodrugs; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics (Nonbenzodiazepine); Photosensitizing Agents; Psycholeptics; Sleep Initiation and Maintenance Disorders; Miscellaneous Anxiolytics Sedatives and Hypnotics; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Methemoglobinemia Associated Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Nervous System	CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1					1200	46505233	D01372	PA10236		DAP000427	Zopiclone	CHEMBL135400	40001
DB01199	Tubocurarine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17139284; 17016423; 11562442; 20338223; 19417616; 18633030; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wenningmann I, Dilger JP: The kinetics of inhibition of nicotinic acetylcholine receptors by (+)-tubocurarine and pancuronium. Mol Pharmacol. 2001 Oct;60(4):790-6.@@Nishimura K, Kitamura Y, Taniguchi T, Agata K: Analysis of motor function modulated by cholinergic neurons in planarian Dugesia japonica. Neuroscience. 2010 Jun 16;168(1):18-30. doi: 10.1016/j.neuroscience.2010.03.038.  Epub 2010 Mar 23.@@Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3.@@Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Curare Alkaloids; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Central Nervous System Depressants; Muscle Relaxants; Alkaloids; Tetrahydroisoquinolines; Anticholinergic Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Isoquinolines; Peripheral Nervous System Agents; Neurotoxic agents; Benzylisoquinolines; Neuromuscular Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Ganglion Blockers; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3					8831	46505279		PA451811		DAP000351	Tubocurarine_chloride	CHEMBL339427	10917
DB01199	Tubocurarine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		10082212	"Briggs CA, McKenna DG, Monteggia LM, Touma E, Roch JM, Arneric SP, Gopalakrishnan M, Sullivan JP: Gain of function mutation of the alpha7 nicotinic receptor: distinct pharmacology of the human alpha7V274T variant. Eur J Pharmacol. 1999 Feb 5;366(2-3):301-8."	Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Curare Alkaloids; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Central Nervous System Depressants; Muscle Relaxants; Alkaloids; Tetrahydroisoquinolines; Anticholinergic Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Isoquinolines; Peripheral Nervous System Agents; Neurotoxic agents; Benzylisoquinolines; Neuromuscular Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Neurotransmitter Agents; Ganglion Blockers; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3					8831	46505279		PA451811		DAP000351	Tubocurarine_chloride	CHEMBL339427	10917
DB01200	Bromocriptine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	12010185; 11752352; 18691132; 10641988; 10626749; 12753422; 10721819; 11444429	"Cavallotti C, Nuti F, Bruzzone P, Mancone M: Age-related changes in dopamine D2 receptors in rat heart and coronary vessels. Clin Exp Pharmacol Physiol. 2002 May-Jun;29(5-6):412-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Lahlou S: Cardiovascular responses to intrathecal dopamine receptor agonists in conscious DOCA-salt hypertensive rats. Fundam Clin Pharmacol. 1999;13(6):624-34.@@Lahlou S, Araujo Lima PF, Interaminense LF, Duarte GP: Blunted central bromocriptine-induced tachycardia in conscious, malnourished rats. Pharmacol Toxicol. 2003 Apr;92(4):189-94.@@Lahlou S, Lima GC, Leao-Filho CS, Duarte GP: Effects of long-term pretreatment with isoproterenol on bromocriptine-induced tachycardia in conscious rats. Can J Physiol Pharmacol. 2000 Mar;78(3):260-5.@@Stefaneanu L, Kovacs K, Horvath E, Buchfelder M, Fahlbusch R, Lancranjan L: Dopamine D2 receptor gene expression in human adenohypophysial adenomas. Endocrine. 2001 Apr;14(3):329-36."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132; 10641988	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist	18691132; 10641988	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	18703043; 18691132; 10641988	"Cussac D, Boutet-Robinet E, Ailhaud MC, Newman-Tancredi A, Martel JC, Danty N, Rauly-Lestienne I: Agonist-directed trafficking of signalling at serotonin 5-HT2A, 5-HT2B and 5-HT2C-VSV receptors mediated Gq/11 activation and calcium mobilisation in CHO cells. Eur J Pharmacol. 2008 Oct 10;594(1-3):32-8. doi: 10.1016/j.ejphar.2008.07.040. Epub 2008 Jul 30.@@Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67.@@Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	10641988; 43367	"Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Gibson A, Samini M: The effects of bromocriptine on pre-synaptic and post-synaptic alpha-adrenoceptors in the mouse vas deferens. J Pharm Pharmacol. 1979 Dec;31(12):826-30."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	10641988; 43367	"Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S.@@Gibson A, Samini M: The effects of bromocriptine on pre-synaptic and post-synaptic alpha-adrenoceptors in the mouse vas deferens. J Pharm Pharmacol. 1979 Dec;31(12):826-30."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01200	Bromocriptine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	18996971	"Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov  7."	Approved; Investigational; Withdrawn	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Adrenergic alpha-Agonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Hormone Antagonists; Antidepressive Agents; Blood Glucose Lowering Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Ergolines; Cytochrome P-450 CYP3A4 Inhibitors; Ergot Alkaloids and Derivatives; Serotonin 5-HT2 Receptor Agonists; P-glycoprotein inhibitors; Serotonin Modulators; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Ergotamines; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Prolactine Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Ergot-derivative Dopamine Receptor Agonists; Adrenergic alpha-1 Receptor Agonists; Dopamine Agonists; Serotonin Agents; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C					11220	46505504	D03165	PA448671		DAP001462	Bromocriptine	CHEMBL493	1760
DB01202	Levetiracetam	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	17461889; 11879381	"De Smedt T, Raedt R, Vonck K, Boon P: Levetiracetam: the profile of a novel anticonvulsant drug-part I: preclinical data. CNS Drug Rev. 2007 Spring;13(1):43-56.@@Lukyanetz EA, Shkryl VM, Kostyuk PG: Selective blockade of N-type calcium channels by levetiracetam. Epilepsia. 2002 Jan;43(1):9-18."	Approved	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Miscellaneous Anticonvulsants; Acetamides; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Nervous System; Amides; Pyrrolidinones; P-glycoprotein substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CC[C@H](N1CCCC1=O)C(N)=O					13107	46508406	D00709	PA450206		DAP000502	Levetiracetam	CHEMBL1286	114477
DB01202	Levetiracetam	BE0000993	SV2A	Q7L0J3	SV2A_HUMAN	agonist	15210974; 15367040; 18072813; 17461889	"Lynch BA, Lambeng N, Nocka K, Kensel-Hammes P, Bajjalieh SM, Matagne A, Fuks B: The synaptic vesicle protein SV2A is the binding site for the antiepileptic drug levetiracetam. Proc Natl Acad Sci U S A. 2004 Jun 29;101(26):9861-6. Epub 2004 Jun 21.@@Stahl SM: Psychopharmacology of anticonvulsants: levetiracetam as a synaptic vesicle protein modulator. J Clin Psychiatry. 2004 Sep;65(9):1162-3.@@Johannessen Landmark C: Antiepileptic drugs in non-epilepsy disorders: relations between mechanisms of action and clinical efficacy. CNS Drugs. 2008;22(1):27-47.@@De Smedt T, Raedt R, Vonck K, Boon P: Levetiracetam: the profile of a novel anticonvulsant drug-part I: preclinical data. CNS Drug Rev. 2007 Spring;13(1):43-56."	Approved	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Miscellaneous Anticonvulsants; Acetamides; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Nervous System; Amides; Pyrrolidinones; P-glycoprotein substrates; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CC[C@H](N1CCCC1=O)C(N)=O					13107	46508406	D00709	PA450206		DAP000502	Levetiracetam	CHEMBL1286	114477
DB01205	Flumazenil	BE0000471	GABRA5	P31644	GBRA5_HUMAN	antagonist	19907641	"Clement Y, Le Guisquet AM, Venault P, Chapouthier G, Belzung C: Pharmacological alterations of anxious behaviour in mice depending on both strain and the behavioural situation. PLoS One. 2009 Nov 11;4(11):e7745. doi: 10.1371/journal.pone.0007745."	Approved	"Imidazo[1,5-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzodiazepine Antagonist; Benzazepines; GABA Agents; Heterocyclic Compounds, Fused-Ring; Antidotes; Benzodiazepinones; Neurotransmitter Agents; Protective Agents; GABA Modulators; Drugs that are Mainly Renally Excreted; Miscellaneous Central Nervous System Agents; Compounds used in a research, industrial, or household setting"	CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1					1227	46507438	D00697	PA449659		DAP000685	Flumazenil	CHEMBL407	4457
DB01205	Flumazenil	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved	"Imidazo[1,5-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzodiazepine Antagonist; Benzazepines; GABA Agents; Heterocyclic Compounds, Fused-Ring; Antidotes; Benzodiazepinones; Neurotransmitter Agents; Protective Agents; GABA Modulators; Drugs that are Mainly Renally Excreted; Miscellaneous Central Nervous System Agents; Compounds used in a research, industrial, or household setting"	CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1					1227	46507438	D00697	PA449659		DAP000685	Flumazenil	CHEMBL407	4457
DB01207	Ridogrel	BE0001893	TBXAS1	P24557	THAS_HUMAN	inhibitor	11270983; 11856082; 8313547; 8376914; 10848666; 10592235	"Park SJ, Lee JJ, Vanhoutte PM: Endothelin-1 releases endothelium-derived endoperoxides and thromboxane A2 in porcine coronary arteries with regenerated endothelium. Zhongguo Yao Li Xue Bao. 1999 Oct;20(10):872-8.@@Tytgat GN, Van Nueten L, Van De Velde I, Joslyn A, Hanauer SB: Efficacy and safety of oral ridogrel in the treatment of ulcerative colitis: two multicentre, randomized, double-blind studies. Aliment Pharmacol Ther. 2002 Jan;16(1):87-99.@@Authors unspecified: Randomized trial of ridogrel, a combined thromboxane A2 synthase inhibitor and thromboxane A2/prostaglandin endoperoxide receptor antagonist, versus aspirin as adjunct to thrombolysis in patients with acute myocardial infarction. The Ridogrel Versus Aspirin Patency Trial (RAPT). Circulation. 1994 Feb;89(2):588-95.@@De Cree J, Geukens H, Gutwirth P, De Clerck F, Vercammen E, Verhaegen H: The effect of a combined administration of ridogrel and ketanserin in patients with intermittent claudication. Int Angiol. 1993 Mar;12(1):59-68.@@Carty E, Macey M, McCartney SA, Rampton DS: Ridogrel, a dual thromboxane synthase inhibitor and receptor antagonist: anti-inflammatory profile in inflammatory bowel disease. Aliment Pharmacol Ther. 2000 Jun;14(6):807-17.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Fatty Acids, Volatile; Valerates; Enzyme Inhibitors; Lipids; Hematologic Agents; Thromboxane-A Synthase, antagonists & inhibitors; Acids, Acyclic; Fatty Acids; Gastrointestinal Agents; Antiplatelet agents"	OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F						46506774		PA164746413		DAP000469		CHEMBL280728	
DB01207	Ridogrel	BE0000759	TBXA2R	P21731	TA2R_HUMAN	antagonist	11752352; 8831771; 8289199; 10522750; 9272380; 8697470	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Heinisch G, Holzer W, Kunz F, Langer T, Lukavsky P, Pechlaner C, Weissenberger H: On the bioisosteric potential of diazines: diazine analogues of the combined thromboxane A2 receptor antagonist and synthetase inhibitor Ridogrel. J Med Chem. 1996 Sep 27;39(20):4058-64.@@Soyka R, Heckel A, Nickl J, Eisert W, Muller TH, Weisenberger H: 6,6-Disubstituted Hex-5-enoic acid derivatives as combined thromboxane A2 receptor antagonists and synthetase inhibitors. J Med Chem. 1994 Jan 7;37(1):26-39.@@Hempelmann RG, Pradel RH, Mehdorn HM, Ziegler A: Threshold concentrations of endothelin-1: the effects on contractions induced by 5-hydroxytryptamine in isolated rat cerebral and mesenteric arteries. Pharmacol Toxicol. 1999 Sep;85(3):115-22.@@Carvalho MH, Fortes ZB, Nigro D, Oliveira MA, Scivoletto R: The role of thromboxane A2 in the altered microvascular reactivity in two-kidney, one-clip hypertension. Endothelium. 1997;5(3):167-78.@@Ragni M, Golino P, Cirillo P, Pascucci I, Scognamiglio A, Ravera A, Esposito N, Battaglia C, Guarino A, Chiariello M: [Inactivated factor VII exercises a powerful antithrombotic activity in an experimental model of recurrent arterial thrombosis]. Cardiologia. 1996 Jan;41(1):51-8."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Fatty Acids, Volatile; Valerates; Enzyme Inhibitors; Lipids; Hematologic Agents; Thromboxane-A Synthase, antagonists & inhibitors; Acids, Acyclic; Fatty Acids; Gastrointestinal Agents; Antiplatelet agents"	OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F						46506774		PA164746413		DAP000469		CHEMBL280728	
DB01209	Dezocine	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	17139284; 17016423; 16433932; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Gharagozlou P, Hashemi E, DeLorey TM, Clark JD, Lameh J: Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	Sensory System Agents; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Naphthalenes; Nervous System; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Opioids	[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N		Dezocine Action Pathway	drug_action			46508770	D00838	PA164746059		DAP001100	Dezocine	CHEMBL1685	22713
DB01211	Clarithromycin	BE0003659	SLCO1B3	Q9NPD5	SO1B3_HUMAN		23571415	"De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP: Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol. 2013 Jun;83(6):1257-67. doi: 10.1124/mol.112.084152. Epub 2013 Apr 9."	Approved	Aminoglycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); OATP1B1/SLCO1B1 Inhibitors; Erythromycin and similars; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Drugs for Acid Related Disorders; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 Substrates; Macrolide Antimicrobial; Cytochrome P-450 Enzyme Inhibitors; Protein Synthesis Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Macrolides; P-glycoprotein substrates; Other Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Macrolides, Lincosamides and Streptogramins; Lactones; Polyketides; Antibacterials for Systemic Use; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Anti-Infective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates"	[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC		Clarithromycin Action Pathway	drug_action		8318	46506489	D00276	PA449028		DAP000410	Clarithromycin	CHEMBL1741	21212
DB01212	Ceftriaxone	BE0000879	SLC22A11	Q9NSA0	S22AB_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Third-Generation Cephalosporins; Anti-Bacterial Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; P-glycoprotein inhibitors; Cephacetrile; Thiazines; Heterocyclic Compounds, Fused-Ring; beta Lactam Antibiotics; Cephalosporins; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Sulfur Compounds"	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11309	46506458	D07659	PA448866		DAP000145	Ceftriaxone	CHEMBL161	2193
DB01212	Ceftriaxone	BE0001066	SLC22A6	Q4U2R8	S22A6_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Third-Generation Cephalosporins; Anti-Bacterial Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; P-glycoprotein inhibitors; Cephacetrile; Thiazines; Heterocyclic Compounds, Fused-Ring; beta Lactam Antibiotics; Cephalosporins; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Sulfur Compounds"	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11309	46506458	D07659	PA448866		DAP000145	Ceftriaxone	CHEMBL161	2193
DB01212	Ceftriaxone	BE0003645	SLC22A8	Q8TCC7	S22A8_HUMAN		11909604	"Takeda M, Babu E, Narikawa S, Endou H: Interaction of human organic anion transporters with various cephalosporin antibiotics. Eur J Pharmacol. 2002 Mar 8;438(3):137-42."	Approved	Cephalosporins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Third-Generation Cephalosporins; Anti-Bacterial Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; P-glycoprotein inhibitors; Cephacetrile; Thiazines; Heterocyclic Compounds, Fused-Ring; beta Lactam Antibiotics; Cephalosporins; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Sulfur Compounds"	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11309	46506458	D07659	PA448866		DAP000145	Ceftriaxone	CHEMBL161	2193
DB01212	Ceftriaxone	BE0001018	SLC15A1	P46059	S15A1_HUMAN		15567297	"Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24."	Approved	Cephalosporins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Third-Generation Cephalosporins; Anti-Bacterial Agents; Nephrotoxic agents; Amides; OAT1/SLC22A6 inhibitors; Antiinfectives for Systemic Use; Drugs that are Mainly Renally Excreted; P-glycoprotein inhibitors; Cephacetrile; Thiazines; Heterocyclic Compounds, Fused-Ring; beta Lactam Antibiotics; Cephalosporins; Antibacterials for Systemic Use; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Lactams; Sulfur Compounds"	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O					11309	46506458	D07659	PA448866		DAP000145	Ceftriaxone	CHEMBL161	2193
DB01213	Fomepizole	BE0000227	ADH1A	P07327	ADH1A_HUMAN	inhibitor	8997246; 16790752; 2789998; 19458366; 16871118; 16946442	"Nagata H, Sekizuka E, Morishita T, Tatemichi M, Kurokawa T, Mizuki A, Ishii H: Adenosine A2-receptor mediates ethanol-induced arteriolar dilation in rat stomach. Am J Physiol. 1996 Dec;271(6 Pt 1):G1028-33.@@Mukherjee PK, Mohamed S, Chandra J, Kuhn D, Liu S, Antar OS, Munyon R, Mitchell AP, Andes D, Chance MR, Rouabhia M, Ghannoum MA: Alcohol dehydrogenase restricts the ability of the pathogen Candida albicans to form a biofilm on catheter surfaces through an ethanol-based mechanism. Infect Immun. 2006 Jul;74(7):3804-16.@@Nussrallah BA, Dam R, Wagner FW: Characterization of Coturnix quail liver alcohol dehydrogenase enzymes. Biochemistry. 1989 Jul 25;28(15):6245-51.@@Brent J: Fomepizole for ethylene glycol and methanol poisoning. N Engl J Med. 2009 May 21;360(21):2216-23. doi: 10.1056/NEJMct0806112.@@Calello DP, Osterhoudt KC, Henretig FM: New and novel antidotes in pediatrics. Pediatr Emerg Care. 2006 Jul;22(7):523-30.@@Betten DP, Vohra RB, Cook MD, Matteucci MJ, Clark RF: Antidote use in the critically ill poisoned patient. J Intensive Care Med. 2006 Sep-Oct;21(5):255-77."	Approved; Vet_approved	Pyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Antidotes; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Pyrazoles; Protective Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inducers; Compounds used in a research, industrial, or household setting"	CC1=CNN=C1					12038	46508566	D00707	PA449697		DAP000568	Fomepizole	CHEMBL1308	15226
DB01213	Fomepizole	BE0000465	ADH1C	P00326	ADH1G_HUMAN	inhibitor	11391066; 19458366; 16871118; 16946442	"Eriksson CJ, Fukunaga T, Sarkola T, Chen WJ, Chen CC, Ju JM, Cheng AT, Yamamoto H, Kohlenberg-Muller K, Kimura M, Murayama M, Matsushita S, Kashima H, Higuchi S, Carr L, Viljoen D, Brooke L, Stewart T, Foroud T, Su J, Li TK, Whitfield JB: Functional relevance of human adh polymorphism. Alcohol Clin Exp Res. 2001 May;25(5 Suppl ISBRA):157S-163S.@@Brent J: Fomepizole for ethylene glycol and methanol poisoning. N Engl J Med. 2009 May 21;360(21):2216-23. doi: 10.1056/NEJMct0806112.@@Calello DP, Osterhoudt KC, Henretig FM: New and novel antidotes in pediatrics. Pediatr Emerg Care. 2006 Jul;22(7):523-30.@@Betten DP, Vohra RB, Cook MD, Matteucci MJ, Clark RF: Antidote use in the critically ill poisoned patient. J Intensive Care Med. 2006 Sep-Oct;21(5):255-77."	Approved; Vet_approved	Pyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Antidotes; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Pyrazoles; Protective Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inducers; Compounds used in a research, industrial, or household setting"	CC1=CNN=C1					12038	46508566	D00707	PA449697		DAP000568	Fomepizole	CHEMBL1308	15226
DB01215	Estazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1					1846	46507430	D00311	PA449502		DAP000930	Estazolam	CHEMBL285674	4077
DB01215	Estazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,2,4-triazolo[4,3-a][1,4]benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Triazolobenzodiazepines; Drugs causing inadvertant photosensitivity; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1					1846	46507430	D00311	PA449502		DAP000930	Estazolam	CHEMBL285674	4077
DB01216	Finasteride	BE0000585	SRD5A2	P31213	S5A2_HUMAN	inhibitor	12773767; 16818707; 12670724; 20460827; 19707263; 19543428; 16019620	"Bowman CJ, Barlow NJ, Turner KJ, Wallace DG, Foster PM: Effects of in utero exposure to finasteride on androgen-dependent reproductive development in the male rat. Toxicol Sci. 2003 Aug;74(2):393-406. Epub 2003 May 28.@@Xu Y, Dalrymple SL, Becker RE, Denmeade SR, Isaacs JT: Pharmacologic basis for the enhanced efficacy of dutasteride against prostatic cancers. Clin Cancer Res. 2006 Jul 1;12(13):4072-9.@@Ha SJ, Kim JS, Myung JW, Lee HJ, Kim JW: Analysis of genetic polymorphisms of steroid 5alpha-reductase type 1 and 2 genes in Korean men with androgenetic alopecia. J Dermatol Sci. 2003 Apr;31(2):135-41.@@Suzuki R, Satoh H, Ohtani H, Hori S, Sawada Y: Saturable binding of finasteride to steroid 5alpha-reductase as determinant of nonlinear pharmacokinetics. Drug Metab Pharmacokinet. 2010;25(2):208-13.@@Smith AB, Carson CC: Finasteride in the treatment of patients with benign prostatic hyperplasia: a review. Ther Clin Risk Manag. 2009 Jun;5(3):535-45. Epub 2009 Jul 12.@@Goldenberg L, So A, Fleshner N, Rendon R, Drachenberg D, Elhilali M: The role of 5-alpha reductase inhibitors in prostate pathophysiology: Is there an additional advantage to inhibition of type 1 isoenzyme? Can Urol Assoc J. 2009 Jun;3(3 Suppl 2):S109-14.@@Joseph MA, Jayaseelan E, Ganapathi B, Stephen J: Hidradenitis suppurativa treated with finasteride. J Dermatolog Treat. 2005 Apr;16(2):75-8."	Approved	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Dermatologicals; Hormone Antagonists; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Misc. Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Steroids; Azasteroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Urologicals; Androstanes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C					768	46507645	D00321	PA449627		DAP000045	Finasteride	CHEMBL710	25025
DB01216	Finasteride	BE0000539	SRD5A1	P18405	S5A1_HUMAN	inhibitor	1314830; 7734398; 8117686; 20460827; 19707263	"Thigpen AE, Russell DW: Four-amino acid segment in steroid 5 alpha-reductase 1 confers sensitivity to finasteride, a competitive inhibitor. J Biol Chem. 1992 Apr 25;267(12):8577-83.@@Levy MA, Brandt M, Sheedy KM, Holt DA, Heaslip JI, Trill JJ, Ryan PJ, Morris RA, Garrison LM, Bergsma DJ: Cloning, expression and functional characterization of type 1 and type 2 steroid 5 alpha-reductases from Cynomolgus monkey: comparisons with human and rat isoenzymes. J Steroid Biochem Mol Biol. 1995 Apr;52(4):307-19.@@Tian G, Stuart JD, Moss ML, Domanico PL, Bramson HN, Patel IR, Kadwell SH, Overton LK, Kost TA, Mook RA Jr, et al.: 17 beta-(N-tert-butylcarbamoyl)-4-aza-5 alpha-androstan-1-en-3-one is an active site-directed slow time-dependent inhibitor of human steroid 5 alpha-reductase 1. Biochemistry. 1994 Mar 1;33(8):2291-6.@@Suzuki R, Satoh H, Ohtani H, Hori S, Sawada Y: Saturable binding of finasteride to steroid 5alpha-reductase as determinant of nonlinear pharmacokinetics. Drug Metab Pharmacokinet. 2010;25(2):208-13.@@Smith AB, Carson CC: Finasteride in the treatment of patients with benign prostatic hyperplasia: a review. Ther Clin Risk Manag. 2009 Jun;5(3):535-45. Epub 2009 Jul 12."	Approved	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Dermatologicals; Hormone Antagonists; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Misc. Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Steroids; Azasteroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Urologicals; Androstanes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C					768	46507645	D00321	PA449627		DAP000045	Finasteride	CHEMBL710	25025
DB01216	Finasteride	BE0003610	AKR1D1	P51857	AK1D1_HUMAN	inhibitor	19515843	"Drury JE, Di Costanzo L, Penning TM, Christianson DW: Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex. J Biol Chem. 2009 Jul 24;284(30):19786-90. doi: 10.1074/jbc.C109.016931. Epub 2009 Jun 10."	Approved	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Dermatologicals; Hormone Antagonists; 5-alpha Reductase Inhibitors; Urological Agents; Cytochrome P-450 Substrates; Misc. Skin and Mucous Membrane Agents; Genito Urinary System and Sex Hormones; Steroids; Azasteroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Urologicals; Androstanes; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Steroid Synthesis Inhibitors; Cytochrome P-450 CYP3A7 Substrates; Drugs Used in Benign Prostatic Hypertrophy"	[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C					768	46507645	D00321	PA449627		DAP000045	Finasteride	CHEMBL710	25025
DB01217	Anastrozole	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	12404296; 14513432; 20923259	"Buzdar AU, Robertson JF, Eiermann W, Nabholtz JM: An overview of the pharmacology and pharmacokinetics of the newer generation aromatase inhibitors anastrozole, letrozole, and exemestane. Cancer. 2002 Nov 1;95(9):2006-16. doi: 10.1002/cncr.10908.@@Miller WR: Aromatase inhibitors: mechanism of action and role in the treatment of breast cancer. Semin Oncol. 2003 Aug;30(4 Suppl 14):3-11.@@Kelly CM, Buzdar AU: Anastrozole. Expert Opin Drug Saf. 2010 Nov;9(6):995-1003. doi: 10.1517/14740338.2010.515977."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Estrogen Antagonists; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates; Aromatase Inhibitors; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitriles; Cytochrome P-450 CYP3A4 Substrates; Steroid Synthesis Inhibitors; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; UGT1A4 substrates; Antineoplastic Agents, Hormonal; Triazoles; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N					27	46504987	D00960	PA448432		DAP000627	Anastrozole	CHEMBL1399	84857
DB01219	Dantrolene	BE0000739	RYR1	P21817	RYR1_HUMAN	antagonist	6704779; 9924249; 7362049; 7488490; 16945924; 15023108; 12666006; 12167662; 11752352	"Britt BA, Scott E, Frodis W, Clements MJ, Endrenyi L: Dantrolene--in vitro studies in malignant hyperthermia susceptible (MHS) and normal skeletal muscle. Can Anaesth Soc J. 1984 Mar;31(2):130-54.@@Harrison GG: Control of the malignant hyperpyrexic syndrome in MHS swine by dantrolene sodium. 1975. Br J Anaesth. 1998 Oct;81(4):626-9; discussion 625.@@Flewellen EH, Nelson TE: Dantrolene dose response in malignant hyperthermia-susceptible (MHS) swine: method to obtain prophylaxis and therapeusis. Anesthesiology. 1980 Apr;52(4):303-8.@@Tonner PH, Scholz J, Richter A, Loscher W, Steinfath M, Wappler F, Wlaz P, Hadji B, Roewer N, Schulte am Esch J: Alterations of inositol polyphosphates in skeletal muscle during porcine malignant hyperthermia. Br J Anaesth. 1995 Oct;75(4):467-71.@@Zhao X, Weisleder N, Han X, Pan Z, Parness J, Brotto M, Ma J: Azumolene inhibits a component of store-operated calcium entry coupled to the skeletal muscle ryanodine receptor. J Biol Chem. 2006 Nov 3;281(44):33477-86. Epub 2006 Aug 31.@@Krause T, Gerbershagen MU, Fiege M, Weisshorn R, Wappler F: Dantrolene--a review of its pharmacology, therapeutic use and new developments. Anaesthesia. 2004 Apr;59(4):364-73.@@Gerbershagen MU, Fiege M, Krause T, Agarwal K, Wappler F: [Dantrolene. Pharmacological and therapeutic aspects]. Anaesthesist. 2003 Mar;52(3):238-45.@@Paul-Pletzer K, Yamamoto T, Bhat MB, Ma J, Ikemoto N, Jimenez LS, Morimoto H, Williams PG, Parness J: Identification of a dantrolene-binding sequence on the skeletal muscle ryanodine receptor. J Biol Chem. 2002 Sep 20;277(38):34918-23. Epub 2002 Jul 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational			"Agents that produce neuromuscular block (indirect); Decreased Striated Muscle Tone; Muscle Relaxants, Centrally Acting Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Muscle Relaxants; Decreased Striated Muscle Contraction; Imidazoles; Thyroxine-binding globulin substrates; Musculo-Skeletal System; Hepatotoxic Agents; Peripheral Nervous System Agents; Neuromuscular Agents; Hydantoins; Central Nervous System Agents; Imidazolidines; Dantrolene and Derivatives; Direct-acting Skeletal Muscle Relaxants"	[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O					2402	46504976	D02347	PA449208		DNC001623	Dantrolene	CHEMBL1201288	3105
DB01220	Rifaximin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	20627999; 17442842	"Cheng J, Shah YM, Ma X, Pang X, Tanaka T, Kodama T, Krausz KW, Gonzalez FJ: Therapeutic role of rifaximin in inflammatory bowel disease: clinical implication of human pregnane X receptor activation. J Pharmacol Exp Ther. 2010 Oct;335(1):32-41. doi: 10.1124/jpet.110.170225. Epub 2010 Jul 13.@@Ma X, Shah YM, Guo GL, Wang T, Krausz KW, Idle JR, Gonzalez FJ: Rifaximin is a gut-specific human pregnane X receptor activator. J Pharmacol Exp Ther. 2007 Jul;322(1):391-8. Epub 2007 Apr 18."	Approved; Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	"Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Lactams, Macrocyclic; Cytochrome P-450 CYP3A Inducers (strong); Dermatologicals; Cytochrome P-450 CYP3A4 Inducers (strong); Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Rifamycin Antibacterial; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C8 Inducers; Intestinal Antiinfectives; Rifamycins; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inducers (strong); Anti-Infective Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Antibiotics for Topical Use; Cytochrome P-450 CYP3A Inducers"	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O					22137	46508705	D02554	PA164752443		DAP001006	Rifaximin	CHEMBL1617	35619
DB01221	Ketamine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17502428; 2858237; 18175098; 14740534	"Smothers CT, Woodward JJ: Pharmacological characterization of glycine-activated currents in HEK 293 cells expressing N-methyl-D-aspartate NR1 and NR3 subunits. J Pharmacol Exp Ther. 2007 Aug;322(2):739-48. Epub 2007 May 14.@@Harrison NL, Simmonds MA: Quantitative studies on some antagonists of N-methyl D-aspartate in slices of rat cerebral cortex. Br J Pharmacol. 1985 Feb;84(2):381-91.@@Sinner B, Graf BM: Ketamine. Handb Exp Pharmacol. 2008;(182):313-33. doi: 10.1007/978-3-540-74806-9_15.@@Radovanovic D, Pjevic M: [Ketamine: the past 30 years and its future]. Med Pregl. 2003 Sep-Oct;56(9-10):439-45."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	9806706	"Kohrs R, Durieux ME: Ketamine: teaching an old drug new tricks. Anesth Analg. 1998 Nov;87(5):1186-93."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	9806706	"Kohrs R, Durieux ME: Ketamine: teaching an old drug new tricks. Anesth Analg. 1998 Nov;87(5):1186-93."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0000067	NOS1	P29475	NOS1_HUMAN	inhibitor	9806706	"Kohrs R, Durieux ME: Ketamine: teaching an old drug new tricks. Anesth Analg. 1998 Nov;87(5):1186-93."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	12818951	"Okamoto T, Minami K, Uezono Y, Ogata J, Shiraishi M, Shigematsu A, Ueta Y: The inhibitory effects of ketamine and pentobarbital on substance p receptors expressed in Xenopus oocytes. Anesth Analg. 2003 Jul;97(1):104-10, table of contents."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	19391150	"Seeman P, Guan HC, Hirbec H: Dopamine D2High receptors stimulated by phencyclidines, lysergic acid diethylamide, salvinorin A, and modafinil. Synapse. 2009 Aug;63(8):698-704. doi: 10.1002/syn.20647."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	508488	"Salt PJ, Barnes PK, Beswick FJ: Inhibition of neuronal and extraneuronal uptake of noradrenaline by ketamine in the isolated perfused rat heart. Br J Anaesth. 1979 Sep;51(9):835-8."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	6246318; 8835358	"Smith DJ, Pekoe GM, Martin LL, Coalgate B: The interaction of ketamine with the opiate receptor. Life Sci. 1980 Mar 10;26(10):789-95.@@Hustveit O, Maurset A, Oye I: Interaction of the chiral forms of ketamine with opioid, phencyclidine, sigma and muscarinic receptors. Pharmacol Toxicol. 1995 Dec;77(6):355-9."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0004890	CHRM1	P08912	ACM5_HUMAN	binder	8835358	"Hustveit O, Maurset A, Oye I: Interaction of the chiral forms of ketamine with opioid, phencyclidine, sigma and muscarinic receptors. Pharmacol Toxicol. 1995 Dec;77(6):355-9."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0004957	HTR2A	P28335	5HT2C_HUMAN	antagonist	6460944	"Martin LL, Bouchal RL, Smith DJ: Ketamine inhibits serotonin uptake in vivo. Neuropharmacology. 1982 Feb;21(2):113-8."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01221	Ketamine	BE0004958	HTR1A	P30939	5HT1F_HUMAN	antagonist	6460944	"Martin LL, Bouchal RL, Smith DJ: Ketamine inhibits serotonin uptake in vivo. Neuropharmacology. 1982 Feb;21(2):113-8."	Approved; Vet_approved	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Excitatory Amino Acid Agonists; Sensory System Agents; Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Amino Acids, Acidic; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Anesthetics, Dissociative; Drugs that are Mainly Renally Excreted; Cyclohexanes; NMDA Receptor Antagonists; Amino Acids; Miscellaneous General Anesthetics; Anesthetics, Intravenous; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Amino Acids, Dicarboxylic; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System; N-Methylaspartate, agonists"	CNC1(CCCCC1=O)C1=CC=CC=C1Cl					11190	46508295	D08098	PA450144		DAP001148	Ketamine	CHEMBL742	6130
DB01222	Budesonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	11040338; 11258648; 11730731; 12601049; 12920235; 11752352	"Zhang X, Moilanen E, Kankaanranta H: Enhancement of human eosinophil apoptosis by fluticasone propionate, budesonide, and beclomethasone. Eur J Pharmacol. 2000 Oct 20;406(3):325-32.@@Henriksson G, Norlander T, Forsgren J, Stierna P: Effects of topical budesonide treatment on glucocorticoid receptor mRNA down-regulation and cytokine patterns in nasal polyps. Am J Rhinol. 2001 Jan-Feb;15(1):1-8.@@Zhang X, Moilanen E, Kankaanranta H: Beclomethasone, budesonide and fluticasone propionate inhibit human neutrophil apoptosis. Eur J Pharmacol. 2001 Nov 23;431(3):365-71.@@Kompella UB, Bandi N, Ayalasomayajula SP: Subconjunctival nano- and microparticles sustain retinal delivery of budesonide, a corticosteroid capable of inhibiting VEGF expression. Invest Ophthalmol Vis Sci. 2003 Mar;44(3):1192-201.@@Kunz S, Sandoval R, Carlsson P, Carlstedt-Duke J, Bloom JW, Miesfeld RL: Identification of a novel glucocorticoid receptor mutation in budesonide-resistant human bronchial epithelial cells. Mol Endocrinol. 2003 Dec;17(12):2566-82. Epub 2003 Aug 14.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Autonomic Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Intestinal Antiinflammatory Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7581	46504869	D00246	PA448681		DAP000320	Budesonide	CHEMBL1370	19831
DB01222	Budesonide	BE0000422	ANXA1	P04083	ANXA1_HUMAN	substrate	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Autonomic Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Corticosteroids Acting Locally; Bronchodilator Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Nasal Preparations; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Intestinal Antiinflammatory Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Pregnenediones; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP2C9 Inducers; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7581	46504869	D00246	PA448681		DAP000320	Budesonide	CHEMBL1370	19831
DB01223	Aminophylline	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	11939921; 11752352	"Hirota K, Yoshioka H, Kabara S, Koizumi Y, Abe H, Sato T, Matsuki A: Spasmolytic effects of colforsin daropate on serotonin-induced pulmonary hypertension and bronchoconstriction in dogs. Acta Anaesthesiol Scand. 2002 Mar;46(3):297-302.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Purines; Amines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cardiotonic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Polyamines; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Diamines; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Ethylenediamines; Purinergic Antagonists"	NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O					9963	46508784	D00227	PA164781029		DAP000613	Aminophylline	CHEMBL1370561	689
DB01223	Aminophylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	12735630; 8425287	"Yamamoto S, Nakanishi O, Matsui T, Shinohara N, Kinoshita H, Lambert C, Ishikawa T: Intrathecal adenosine A1 receptor agonist attenuates hyperalgesia without inhibiting spinal glutamate release in the rat. Cell Mol Neurobiol. 2003 Apr;23(2):175-85.@@Lerman BB: Response of nonreentrant catecholamine-mediated ventricular tachycardia to endogenous adenosine and acetylcholine. Evidence for myocardial receptor-mediated effects. Circulation. 1993 Feb;87(2):382-90."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Purines; Amines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cardiotonic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Polyamines; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Diamines; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Ethylenediamines; Purinergic Antagonists"	NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O					9963	46508784	D00227	PA164781029		DAP000613	Aminophylline	CHEMBL1370561	689
DB01223	Aminophylline	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	activator	12070353	"Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17."	Approved	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Purines; Amines; Enzyme Inhibitors; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Protective Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Purinergic Agents; Cardiotonic Agents; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Purinergic P1 Receptor Antagonists; Purinones; Polyamines; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Diamines; Xanthine derivatives; Phosphodiesterase Inhibitors; Compounds used in a research, industrial, or household setting; Pharmaceutical Preparations; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Neurotransmitter Agents; Narrow Therapeutic Index Drugs; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates; Ethylenediamines; Purinergic Antagonists"	NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O					9963	46508784	D00227	PA164781029		DAP000613	Aminophylline	CHEMBL1370561	689
DB01224	Quetiapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	10839333; 11132243; 11873706; 17848919	"Kapur S, Zipursky R, Jones C, Shammi CS, Remington G, Seeman P: A positron emission tomography study of quetiapine in schizophrenia: a preliminary finding of an antipsychotic effect with only transiently high dopamine D2 receptor occupancy. Arch Gen Psychiatry. 2000 Jun;57(6):553-9.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	ligand	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000476	HTR1E	P28566	5HT1E_HUMAN	ligand	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	ligand	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000650	HTR7	P34969	5HT7R_HUMAN	ligand	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000581	DRD3	P35462	DRD3_HUMAN	ligand	17848919; 20392299; 12544369	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Vernaleken I, Janouschek H, Raptis M, Hellmann S, Veselinovic T, Brocheler A, Boy C, Cumming P, Hiemke C, Rosch F, Schafer WM, Grunder G: Dopamine D2/3 receptor occupancy by quetiapine in striatal and extrastriatal areas. Int J Neuropsychopharmacol. 2010 Aug;13(7):951-60. doi: 10.1017/S1461145710000374. Epub 2010 Apr 15.@@Bressan RA, Erlandsson K, Jones HM, Mulligan RS, Ell PJ, Pilowsky LS: Optimizing limbic selective D2/D3 receptor occupancy by risperidone: a [123I]-epidepride SPET study. J Clin Psychopharmacol. 2003 Feb;23(1):5-14. doi: 10.1097/00004714-200302000-00002."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000560	CHRM2	P08172	ACM2_HUMAN	ligand	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11132243; 17848919; 21336576; 20066171	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@Vehof J, Risselada AJ, Al Hadithy AF, Burger H, Snieder H, Wilffert B, Arends J, Wunderink L, Knegtering H, Wiersma D, Cohen D, Mulder H, Bruggeman R: Association of genetic variants of the histamine H1 and muscarinic M3 receptors with BMI and HbA1c values in patients on antipsychotic medication. Psychopharmacology (Berl). 2011 Jul;216(2):257-65. doi: 10.1007/s00213-011-2211-x. Epub 2011 Feb 19.@@Muller C, Reuter H, Dohmen C: Intoxication after extreme oral overdose of quetiapine to attempt suicide: pharmacological concerns of side effects. Case Rep Med. 2009;2009:371698. doi: 10.1155/2009/371698. Epub 2010 Jan 3."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01224	Quetiapine	BE0000247	CHRM5	P08912	ACM5_HUMAN	ligand	11132243; 17848919	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11."	Approved	Dibenzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzothiazepines; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Azepines; Serotonin 5-HT1A Receptor Antagonists; Hypotensive Agents; Thiepins; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Thiazepines; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates"	OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12		Quetiapine H1-Antihistamine Action	drug_action		11718	46504800	D08456	PA451201		DAP000001	Quetiapine	CHEMBL716	51272
DB01226	Mivacurium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	19352159; 19417616; 16931985; 11752352	"Ihmsen H, Schmidt J, Schwilden H, Schmitt HJ, Muenster T: Influence of disease progression on the neuromuscular blocking effect of mivacurium in children and adolescents with Duchenne muscular dystrophy. Anesthesiology. 2009 May;110(5):1016-9. doi: 10.1097/ALN.0b013e31819daf31.@@Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3.@@Jonsson M, Gurley D, Dabrowski M, Larsson O, Johnson EC, Eriksson LI: Distinct pharmacologic properties of neuromuscular blocking agents on human neuronal nicotinic acetylcholine receptors: a possible explanation for the train-of-four fade. Anesthesiology. 2006 Sep;105(3):521-33.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11976	46505071		PA450528		DAP000716	Mivacurium_chloride	CHEMBL1182833	30077
DB01226	Mivacurium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	9523819	"Hou VY, Hirshman CA, Emala CW: Neuromuscular relaxants as antagonists for M2 and M3 muscarinic receptors. Anesthesiology. 1998 Mar;88(3):744-50."	Approved	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11976	46505071		PA450528		DAP000716	Mivacurium_chloride	CHEMBL1182833	30077
DB01226	Mivacurium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	19020136	"Habre W, Adamicza A, Lele E, Novak T, Sly PD, Petak F: The involvement of histaminic and muscarinic receptors in the bronchoconstriction induced by myorelaxant administration in sensitized rabbits. Anesth Analg. 2008 Dec;107(6):1899-906. doi: 10.1213/ane.0b013e318186587c."	Approved	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11976	46505071		PA450528		DAP000716	Mivacurium_chloride	CHEMBL1182833	30077
DB01226	Mivacurium	BE0002180	BCHE	P06276	CHLE_HUMAN		8922768	"Kao YJ, Le ND: The reversal of profound mivacurium-induced neuromuscular blockade. Can J Anaesth. 1996 Nov;43(11):1128-33."	Approved	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Nicotinic Antagonists; Central Nervous System Depressants; Muscle Relaxants; Cholinesterase substrates; Isoquinolines; Neuromuscular-Blocking Agents (Nondepolarizing); Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC					11976	46505071		PA450528		DAP000716	Mivacurium_chloride	CHEMBL1182833	30077
DB01227	Levacetylmethadol	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	other/unknown	11561100	"Xiao Y, Smith RD, Caruso FS, Kellar KJ: Blockade of rat alpha3beta4 nicotinic receptor function by methadone, its metabolites, and structural analogs. J Pharmacol Exp Ther. 2001 Oct;299(1):366-71."	Approved; Investigational; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Sensory System Agents; Nicotinic Antagonists; QTc Prolonging Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Anticholinergic Agents; Ketones; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Opioids	CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1		Levomethadyl Acetate Metabolism Pathway; Levomethadyl Acetate Action Action Pathway	drug_metabolism; drug_action			46507749	D04716	PA450215		DAP001139	Levacetylmethadol	CHEMBL1514	237005
DB01228	Encainide	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17016423; 1653123; 16751287; 9835260; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Starmer CF, Lastra AA, Nesterenko VV, Grant AO: Proarrhythmic response to sodium channel blockade. Theoretical model and numerical experiments. Circulation. 1991 Sep;84(3):1364-77.@@Guo J, Zhan S, Somers J, Westenbroek RE, Catterall WA, Roach DE, Sheldon RS, Lees-Miller JP, Li P, Shimoni Y, Duff HJ: Decrease in density of INa is in the common final pathway to heart block in murine hearts overexpressing calcineurin. Am J Physiol Heart Circ Physiol. 2006 Dec;291(6):H2669-79. Epub 2006 Jun 2.@@Krishnan SC, Josephson ME: ST segment elevation induced by class IC antiarrhythmic agents: underlying electrophysiologic mechanisms and insights into drug-induced proarrhythmia. J Cardiovasc Electrophysiol. 1998 Nov;9(11):1167-72.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Withdrawn	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Antiarrhythmic agents; Antiarrhythmics, Class Ic; Aniline Compounds; Cardiovascular Agents; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Sodium Channel Blockers; QTc Prolonging Agents; Amines; Cardiac Therapy; Cytochrome P-450 Substrates; Voltage-Gated Sodium Channel Blockers; Antiarrhythmics, Class I; Amides; Anilides; Membrane Transport Modulators"	COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C						46504470	D07894	PA449459		DAP000519	Encainide	CHEMBL315838	42368
DB01229	Paclitaxel	BE0000246	BCL2	P10415	BCL2_HUMAN	inhibitor	16741658; 16895478; 17062688; 17119350; 17230521	"Gan Y, Wientjes MG, Au JL: Expression of basic fibroblast growth factor correlates with resistance to paclitaxel in human patient tumors. Pharm Res. 2006 Jun;23(6):1324-31. Epub 2006 Jun 8.@@Thomadaki H, Talieri M, Scorilas A: Treatment of MCF-7 cells with taxol and etoposide induces distinct alterations in the expression of apoptosis-related genes BCL2, BCL2L12, BAX, CASPASE-9 and FAS. Biol Chem. 2006 Aug;387(8):1081-6.@@Yoshino T, Shiina H, Urakami S, Kikuno N, Yoneda T, Shigeno K, Igawa M: Bcl-2 expression as a predictive marker of hormone-refractory prostate cancer treated with taxane-based chemotherapy. Clin Cancer Res. 2006 Oct 15;12(20 Pt 1):6116-24.@@Matsuyoshi S, Shimada K, Nakamura M, Ishida E, Konishi N: Bcl-2 phosphorylation has pathological significance in human breast cancer. Pathobiology. 2006;73(4):205-12.@@Zhang X, Wang Q, Ling MT, Wong YC, Leung SC, Wang X: Anti-apoptotic role of TWIST and its association with Akt pathway in mediating taxol resistance in nasopharyngeal carcinoma cells. Int J Cancer. 2007 May 1;120(9):1891-8."	Approved; Vet_approved	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors"	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C		Paclitaxel Action Pathway	drug_action		732	46506910	D00491	PA450761		DNC001411	Paclitaxel	CHEMBL428647	56946
DB01229	Paclitaxel	BE0003475	MAP4	P27816	MAP4_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Vet_approved	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors"	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C		Paclitaxel Action Pathway	drug_action		732	46506910	D00491	PA450761		DNC001411	Paclitaxel	CHEMBL428647	56946
DB01229	Paclitaxel	BE0001100	MAP2	P11137	MTAP2_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Vet_approved	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors"	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C		Paclitaxel Action Pathway	drug_action		732	46506910	D00491	PA450761		DNC001411	Paclitaxel	CHEMBL428647	56946
DB01229	Paclitaxel	BE0003474	MAPT	P10636	TAU_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Vet_approved	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors"	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C		Paclitaxel Action Pathway	drug_action		732	46506910	D00491	PA450761		DNC001411	Paclitaxel	CHEMBL428647	56946
DB01229	Paclitaxel	BE0000956	NR1I2	O75469	NR1I2_HUMAN	inducer	18839173	"Harmsen S, Meijerman I, Beijnen JH, Schellens JH: Nuclear receptor mediated induction of cytochrome P450 3A4 by anticancer drugs: a key role for the pregnane X receptor. Cancer Chemother Pharmacol. 2009 Jun;64(1):35-43. doi: 10.1007/s00280-008-0842-3. Epub 2008 Oct 7."	Approved; Vet_approved	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Tubulin Modulators; Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; BSEP/ABCB11 Substrates with a Narrow Therapeutic Index; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Terpenes; P-glycoprotein inhibitors; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Antineoplastic Agents, Phytogenic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Neurotoxic agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Albumins; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors"	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C		Paclitaxel Action Pathway	drug_action		732	46506910	D00491	PA450761		DNC001411	Paclitaxel	CHEMBL428647	56946
DB01231	Diphenidol	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	10497897; 9851542; 9454790; 9059856; 8050463; 12185001; 10530931; 1863523	"Pelat M, Lazartigues E, Tran MA, Gharib C, Montastruc JL, Montastruc P, Rascol O: Characterization of the central muscarinic cholinoceptors involved in the cholinergic pressor response in anesthetized dogs. Eur J Pharmacol. 1999 Aug 27;379(2-3):117-24.@@Lazartigues E, Freslon JL, Tellioglu T, Brefel-Courbon C, Pelat M, Tran MA, Montastruc JL, Rascol O: Pressor and bradycardic effects of tacrine and other acetylcholinesterase inhibitors in the rat. Eur J Pharmacol. 1998 Nov 13;361(1):61-71.@@Kovacs I, Yamamura HI, Waite SL, Varga EV, Roeske WR: Pharmacological comparison of the cloned human and rat M2 muscarinic receptor genes expressed in the murine fibroblast (B82) cell line. J Pharmacol Exp Ther. 1998 Feb;284(2):500-7.@@Pavia J, Munoz M, Jimenez E, Martos F, Gonzalez-Correa JA, De la Cruz JP, Garcia V, Sanchez de la Cuesta F: Pharmacological characterization and distribution of muscarinic receptors in human placental syncytiotrophoblast brush-border and basal plasma membranes. Eur J Pharmacol. 1997 Feb 12;320(2-3):209-14.@@Jovanovic A, Grbovic L, Tulic I: Endothelium-dependent relaxation in response to acetylcholine in the human uterine artery. Eur J Pharmacol. 1994 Apr 21;256(2):131-9.@@Braverman AS, Tallarida RJ, Ruggieri MR Sr: Interaction between muscarinic receptor subtype signal transduction pathways mediating bladder contraction. Am J Physiol Regul Integr Comp Physiol. 2002 Sep;283(3):R663-8.@@Varoli L, Angeli P, Burnelli S, Marucci G, Recanatini M: Synthesis and antagonistic activity at muscarinic receptor subtypes of some 2-carbonyl derivatives of diphenidol. Bioorg Med Chem. 1999 Sep;7(9):1837-44.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Lambrecht G, Christophe J: Stereoselectivity of (R)- and (S)-hexahydro-difenidol binding to neuroblastoma M1, cardiac M2, pancreatic M3, and striatum M4 muscarinic receptors. Chirality. 1991;3(2):118-23."	Approved; Investigational; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Muscarinic Antagonists; Central Nervous System Agents; Antiemetics; Emesis Suppression; Agents producing tachycardia; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents	OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1						46506486	D03858	PA164746037		DAP001133	Diphenidol	CHEMBL936	23370
DB01231	Diphenidol	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 12185001; 10530931; 1863523	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Braverman AS, Tallarida RJ, Ruggieri MR Sr: Interaction between muscarinic receptor subtype signal transduction pathways mediating bladder contraction. Am J Physiol Regul Integr Comp Physiol. 2002 Sep;283(3):R663-8.@@Varoli L, Angeli P, Burnelli S, Marucci G, Recanatini M: Synthesis and antagonistic activity at muscarinic receptor subtypes of some 2-carbonyl derivatives of diphenidol. Bioorg Med Chem. 1999 Sep;7(9):1837-44.@@Waelbroeck M, Camus J, Tastenoy M, Mutschler E, Strohmann C, Tacke R, Lambrecht G, Christophe J: Stereoselectivity of (R)- and (S)-hexahydro-difenidol binding to neuroblastoma M1, cardiac M2, pancreatic M3, and striatum M4 muscarinic receptors. Chirality. 1991;3(2):118-23."	Approved; Investigational; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Muscarinic Antagonists; Central Nervous System Agents; Antiemetics; Emesis Suppression; Agents producing tachycardia; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents	OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1						46506486	D03858	PA164746037		DAP001133	Diphenidol	CHEMBL936	23370
DB01233	Metoclopramide	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	18948374; 21278804; 21585331	"Guillemot J, Compagnon P, Cartier D, Thouennon E, Bastard C, Lihrmann I, Pichon P, Thuillez C, Plouin PF, Bertherat J, Anouar Y, Kuhn JM, Yon L, Lefebvre H: Metoclopramide stimulates catecholamine- and granin-derived peptide secretion from pheochromocytoma cells through activation of serotonin type 4 (5-HT4) receptors. Endocr Relat Cancer. 2009 Mar;16(1):281-90. doi: 10.1677/ERC-08-0190. Epub 2008 Oct 23.@@Lee A, Kuo B: Metoclopramide in the treatment of diabetic gastroparesis. Expert Rev Endocrinol Metab. 2010;5(5):653-662.@@Bartolini A, Di Cesare Mannelli L, Ghelardini C: Analgesic and antineuropathic drugs acting through central cholinergic mechanisms. Recent Pat CNS Drug Discov. 2011 May 1;6(2):119-40."	Approved; Investigational	Aminophenyl ethers	Organic compounds; Benzenoids; Phenol ethers; Aminophenyl ethers	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Hydroxybenzoates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Gastrointestinal Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Aminobenzoates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; para-Aminobenzoates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Peripheral Nervous System Agents; Chlorobenzoates; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC					3775	46505631	D00726	PA450475		DAP000530	Metoclopramide	CHEMBL86	6915
DB01233	Metoclopramide	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	8730709; 8230103; 7745844; 8981558; 9876882; 15835479; 21585331	"See RE, Lynch AM, Sorg BA: Subchronic administration of clozapine, but not haloperidol or metoclopramide, decreases dopamine D2 receptor messenger RNA levels in the nucleus accumbens and caudate-putamen in rats. Neuroscience. 1996 May;72(1):99-104.@@Harrold MW, Sriburi A, Matsumoto K, Miller DD, Farooqui T, Uretsky N: The interaction of ammonium, sulfonium, and sulfide analogues of metoclopramide with the dopamine D2 receptor. J Med Chem. 1993 Oct 15;36(21):3166-70.@@Kishibayashi N, Karasawa A: Stimulating effects of KW-5092, a novel gastroprokinetic agent, on the gastric emptying, small intestinal propulsion and colonic propulsion in rats. Jpn J Pharmacol. 1995 Jan;67(1):45-50.@@Chemnitius JM, Haselmeyer KH, Gonska BD, Kreuzer H, Zech R: Indirect parasympathomimetic activity of metoclopramide: reversible inhibition of cholinesterases from human central nervous system and blood. Pharmacol Res. 1996 Jul-Aug;34(1-2):65-72.@@Dahlof CG, Hargreaves RJ: Pathophysiology and pharmacology of migraine. Is there a place for antiemetics in future treatment strategies? Cephalalgia. 1998 Nov;18(9):593-604.@@Hammer D: Gastroesophageal reflux and prokinetic agents. Neonatal Netw. 2005 Mar-Apr;24(2):51-8; quiz 59-62.@@Bartolini A, Di Cesare Mannelli L, Ghelardini C: Analgesic and antineuropathic drugs acting through central cholinergic mechanisms. Recent Pat CNS Drug Discov. 2011 May 1;6(2):119-40."	Approved; Investigational	Aminophenyl ethers	Organic compounds; Benzenoids; Phenol ethers; Aminophenyl ethers	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Hydroxybenzoates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Gastrointestinal Agents; Central Nervous System Depressants; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Aminobenzoates; Potential QTc-Prolonging Agents; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2D6 Substrates; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Propulsives; para-Aminobenzoates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Peripheral Nervous System Agents; Chlorobenzoates; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Cholinesterase Inhibitors; Neurotransmitter Agents; Antiemetics; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC					3775	46505631	D00726	PA450475		DAP000530	Metoclopramide	CHEMBL86	6915
DB01234	Dexamethasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16835395; 16891588; 16956592; 16963802; 16971495; 11752352	"Warne JP, John CD, Christian HC, Morris JF, Flower RJ, Sugden D, Solito E, Gillies GE, Buckingham JC: Gene deletion reveals roles for annexin A1 in the regulation of lipolysis and IL-6 release in epididymal adipose tissue. Am J Physiol Endocrinol Metab. 2006 Dec;291(6):E1264-73. Epub 2006 Jul 11.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Funato H, Kobayashi A, Watanabe Y: Differential effects of antidepressants on dexamethasone-induced nuclear translocation and expression of glucocorticoid receptor. Brain Res. 2006 Oct 30;1117(1):125-34. Epub 2006 Sep 7.@@Vaitkuviene A, Ulinskaite A, Meskys R, Duburs G, Klusa V, Liutkevicius E: Study of the interaction of 1,4-dihydropyridine derivatives with glucocorticoid hormone receptors from the rat liver. Pharmacol Rep. 2006 Jul-Aug;58(4):551-8.@@Wang D, Zhang H, Lang F, Yun CC: Acute activation of NHE3 by dexamethasone correlates with activation of SGK1 and requires a functional glucocorticoid receptor. Am J Physiol Cell Physiol. 2007 Jan;292(1):C396-404. Epub 2006 Sep 13.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7602	46508930	D00292	PA449247		DAP000007	Dexamethasone	CHEMBL384467	3264
DB01234	Dexamethasone	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	16883066; 17076770; 17158208; 17644190	"Morand EF, Hall P, Hutchinson P, Yang YH: Regulation of annexin I in rheumatoid synovial cells by glucocorticoids and interleukin-1. Mediators Inflamm. 2006;2006(2):73835.@@John CD, Theogaraj E, Christian HC, Morris JF, Smith SF, Buckingham JC: Time-specific effects of perinatal glucocorticoid treatment on anterior pituitary morphology, annexin 1 expression and adrenocorticotrophic hormone secretion in the adult female rat. J Neuroendocrinol. 2006 Dec;18(12):949-59.@@Davies E, Omer S, Buckingham JC, Morris JF, Christian HC: Expression and externalization of annexin 1 in the adrenal gland: structure and function of the adrenal gland in annexin 1-null mutant mice. Endocrinology. 2007 Mar;148(3):1030-8. Epub 2006 Dec 7.@@Wang C, Wang J, Guo HF, Liu RY: Involvement of annexin I in the dexamethasone-mediated upregulation of A549 cells phagocytosis of apoptotic eosinophils. Immunol Lett. 2007 Aug 15;111(2):103-10. Epub 2007 Jul 2."	Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7602	46508930	D00292	PA449247		DAP000007	Dexamethasone	CHEMBL384467	3264
DB01234	Dexamethasone	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Investigational; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2B6 Inducers; Ophthalmological and Otological Preparations; Fused-Ring Compounds; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes; Corticosteroids for Systemic Use, Plain; Dermatologicals; P-glycoprotein inducers; Autonomic Agents; Anti-Acne Preparations; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Steroids, Fluorinated; Cytochrome P-450 CYP3A5 Inducers; Peripheral Nervous System Agents; Corticosteroids, Moderately Potent (Group II); Antineoplastic Agents, Hormonal; Cytochrome P-450 CYP3A7 Substrates; Corticosteroids for Systemic Use; Vasoprotectives; Anti-Acne Preparations for Topical Use; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Corticosteroids for Local Oral Treatment; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; P-glycoprotein substrates; Pregnadienetriols; Otologicals; Cytochrome P-450 CYP3A5 Inducers (moderate); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Corticosteroid Hormone Receptor Agonists; Sensory Organs; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A7 Inducers; Gastrointestinal Agents; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Stomatological Preparations; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Ophthalmologicals; Central Nervous System Agents; Cytochrome P-450 CYP2A6 Inducers; Inducers of Drug Clearance; Antiemetics; Adrenals; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7602	46508930	D00292	PA449247		DAP000007	Dexamethasone	CHEMBL384467	3264
DB01235	Levodopa	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	17553470; 15710490; 15824260; 15728856; 18549347; 11978145; 9633680	"Dupre KB, Eskow KL, Negron G, Bishop C: The differential effects of 5-HT(1A) receptor stimulation on dopamine receptor-mediated abnormal involuntary movements and rotations in the primed hemiparkinsonian rat. Brain Res. 2007 Jul 16;1158:135-43. Epub 2007 May 8.@@Mori A, Ohashi S, Nakai M, Moriizumi T, Mitsumoto Y: Neural mechanisms underlying motor dysfunction as detected by the tail suspension test in MPTP-treated C57BL/6 mice. Neurosci Res. 2005 Mar;51(3):265-74. Epub 2005 Jan 8.@@Zappia M, Annesi G, Nicoletti G, Arabia G, Annesi F, Messina D, Pugliese P, Spadafora P, Tarantino P, Carrideo S, Civitelli D, De Marco EV, Ciro-Candiano IC, Gambardella A, Quattrone A: Sex differences in clinical and genetic determinants of levodopa peak-dose dyskinesias in Parkinson disease: an exploratory study. Arch Neurol. 2005 Apr;62(4):601-5.@@Kovoor A, Seyffarth P, Ebert J, Barghshoon S, Chen CK, Schwarz S, Axelrod JD, Cheyette BN, Simon MI, Lester HA, Schwarz J: D2 dopamine receptors colocalize regulator of G-protein signaling 9-2 (RGS9-2) via the RGS9 DEP domain, and RGS9 knock-out mice develop dyskinesias associated with dopamine pathways. J Neurosci. 2005 Feb 23;25(8):2157-65.@@Onofrj M, Bonanni L, Thomas A: An expert opinion on safinamide in Parkinson's disease. Expert Opin Investig Drugs. 2008 Jul;17(7):1115-25. doi: 10.1517/13543784.17.7.1115 .@@Deleu D, Northway MG, Hanssens Y: Clinical pharmacokinetic and pharmacodynamic properties of drugs used in the treatment of Parkinson's disease. Clin Pharmacokinet. 2002;41(4):261-309.@@Koller WC, Rueda MG: Mechanism of action of dopaminergic agents in Parkinson's disease. Neurology. 1998 Jun;50(6 Suppl 6):S11-4; discussion S44-8. doi: 10.1212/wnl.50.6_suppl_6.s11."	Approved	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Catecholamines; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Dihydroxyphenylalanine; Hypotensive Agents; Central Nervous System Depressants; Phenols; Amino Acids; Levodopa, antagonists & inhibitors; Anti-Parkinson Drugs; Amino Acids, Cyclic; Catechols; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Dopa and Dopa Derivatives; Dopamine Agents; Anti-Dyskinesia Agents"	N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O		"Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency"	disease; metabolic; drug_action		4068	46508120	D00059	PA450213		DAP000209	Levodopa	CHEMBL1009	6375
DB01235	Levodopa	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18549347; 11978145; 9633680	"Onofrj M, Bonanni L, Thomas A: An expert opinion on safinamide in Parkinson's disease. Expert Opin Investig Drugs. 2008 Jul;17(7):1115-25. doi: 10.1517/13543784.17.7.1115 .@@Deleu D, Northway MG, Hanssens Y: Clinical pharmacokinetic and pharmacodynamic properties of drugs used in the treatment of Parkinson's disease. Clin Pharmacokinet. 2002;41(4):261-309.@@Koller WC, Rueda MG: Mechanism of action of dopaminergic agents in Parkinson's disease. Neurology. 1998 Jun;50(6 Suppl 6):S11-4; discussion S44-8. doi: 10.1212/wnl.50.6_suppl_6.s11."	Approved	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amines; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Catecholamines; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Dihydroxyphenylalanine; Hypotensive Agents; Central Nervous System Depressants; Phenols; Amino Acids; Levodopa, antagonists & inhibitors; Anti-Parkinson Drugs; Amino Acids, Cyclic; Catechols; Central Nervous System Agents; Anti-Parkinson Agents (Dopamine Agonist); Biogenic Monoamines; Neurotransmitter Agents; Nervous System; Dopa and Dopa Derivatives; Dopamine Agents; Anti-Dyskinesia Agents"	N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O		"Tyrosine Metabolism; Disulfiram Action Pathway; Aromatic L-Aminoacid Decarboxylase Deficiency; Monoamine Oxidase-A Deficiency (MAO-A); Catecholamine Biosynthesis; Tyrosinemia, Transient, of the Newborn; Hawkinsinuria; Dopamine beta-Hydroxylase Deficiency; Tyrosinemia Type I; Alkaptonuria; Tyrosine Hydroxylase Deficiency"	disease; metabolic; drug_action		4068	46508120	D00059	PA450213		DAP000209	Levodopa	CHEMBL1009	6375
DB01236	Sevoflurane	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	agonist	7509043; 29039138	"Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0.@@Brohan J, Goudra BG: The Role of GABA Receptor Agonists in Anesthesia and Sedation. CNS Drugs. 2017 Oct;31(10):845-856. doi: 10.1007/s40263-017-0463-7."	Approved; Vet_approved	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FCOC(C(F)(F)F)C(F)(F)F					169	46508591	D00547	PA451341		DAP000694	Sevoflurane	CHEMBL1200694	36453
DB01236	Sevoflurane	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	7509043; 12761368	"Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0.@@Campagna JA, Miller KW, Forman SA: Mechanisms of actions of inhaled anesthetics. N Engl J Med. 2003 May 22;348(21):2110-24. doi: 10.1056/NEJMra021261."	Approved; Vet_approved	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FCOC(C(F)(F)F)C(F)(F)F					169	46508591	D00547	PA451341		DAP000694	Sevoflurane	CHEMBL1200694	36453
DB01236	Sevoflurane	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	7509043; 12761368	"Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0.@@Campagna JA, Miller KW, Forman SA: Mechanisms of actions of inhaled anesthetics. N Engl J Med. 2003 May 22;348(21):2110-24. doi: 10.1056/NEJMra021261."	Approved; Vet_approved	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FCOC(C(F)(F)F)C(F)(F)F					169	46508591	D00547	PA451341		DAP000694	Sevoflurane	CHEMBL1200694	36453
DB01236	Sevoflurane	BE0010002	ATP2C1	P16615	AT2A2_HUMAN	inhibitor	7499320; 16533663; 29310813; 7509043	"Lopez MM, Kosk-Kosicka D: How do volatile anesthetics inhibit Ca(2+)-ATPases? J Biol Chem. 1995 Nov 24;270(47):28239-45.@@Pinheiro AC, Gomez RS, Guatimosim C, Silva JH, Prado MA, Gomez MV: The effect of sevoflurane on intracellular calcium concentration from cholinergic cells. Brain Res Bull. 2006 Mar 31;69(2):147-52. doi: 10.1016/j.brainresbull.2005.11.016. Epub 2005 Dec 19.@@Liu TJ, Zhang JC, Gao XZ, Tan ZB, Wang JJ, Zhang PP, Cheng AB, Zhang SB: Effect of sevoflurane on the ATPase activity of hippocampal neurons in a rat model of cerebral ischemia-reperfusion injury via the cAMP-PKA signaling pathway. Kaohsiung J Med Sci. 2018 Jan;34(1):22-33. doi: 10.1016/j.kjms.2017.09.004. Epub 2017 Nov 14.@@Franks NP, Lieb WR: Molecular and cellular mechanisms of general anaesthesia. Nature. 1994 Feb 17;367(6464):607-14. doi: 10.1038/367607a0."	Approved; Vet_approved	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Anesthetics, General; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Hypotensive Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Anesthetics; Cytochrome P-450 CYP2E1 Substrates; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2A6 Substrates; Methyl Ethers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Hydrocarbons, Fluorinated; Hydrocarbons, Halogenated; Central Nervous System Agents; Nervous System; Anesthetics, Inhalation"	FCOC(C(F)(F)F)C(F)(F)F					169	46508591	D00547	PA451341		DAP000694	Sevoflurane	CHEMBL1200694	36453
DB01237	Bromodiphenhydramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Amines; Aminoalkyl Ethers; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use; Benzhydryl Compounds; Ethylamines; Benzene Derivatives	CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1		Bromodiphenhydramine H1-Antihistamine Action	drug_action			46506082		PA164760854		DAP001072	Bromodiphenhydramine	CHEMBL1201245	19759
DB01238	Aripiprazole	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	16366516; 9083792; 16925992; 16981227; 17501690; 11752352; 26346901; 16554049	"Hirose T, Kikuchi T: Aripiprazole, a novel antipsychotic agent: dopamine D2 receptor partial agonist. J Med Invest. 2005 Nov;52 Suppl:284-90.@@Inoue A, Miki S, Seto M, Kikuchi T, Morita S, Ueda H, Misu Y, Nakata Y: Aripiprazole, a novel antipsychotic drug, inhibits quinpirole-evoked GTPase activity but does not up-regulate dopamine D2 receptor following repeated treatment in the rat striatum. Eur J Pharmacol. 1997 Feb 19;321(1):105-11.@@Wood MD, Scott C, Clarke K, Westaway J, Davies CH, Reavill C, Hill M, Rourke C, Newson M, Jones DN, Forbes IT, Gribble A: Aripiprazole and its human metabolite are partial agonists at the human dopamine D2 receptor, but the rodent metabolite displays antagonist properties. Eur J Pharmacol. 2006 Sep 28;546(1-3):88-94. Epub 2006 Jul 21.@@Kim E, Yu KS, Cho JY, Shin YW, Yoo SY, Kim YY, Jang IJ, Shin SG, Kwon JS: Effects of DRD2 and CYP2D6 genotypes on delta EEG power response to aripiprazole in healthy male volunteers: a preliminary study. Hum Psychopharmacol. 2006 Dec;21(8):519-28.@@Wood M, Reavill C: Aripiprazole acts as a selective dopamine D2 receptor partial agonist. Expert Opin Investig Drugs. 2007 Jun;16(6):771-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3.@@Cosi C, Carilla-Durand E, Assie MB, Ormiere AM, Maraval M, Leduc N, Newman-Tancredi A: Partial agonist properties of the antipsychotics SSR181507, aripiprazole and bifeprunox at dopamine D2 receptors: G protein activation and prolactin release. Eur J Pharmacol. 2006 Mar 27;535(1-3):135-44. doi: 10.1016/j.ejphar.2006.01.051. Epub 2006 Mar 22."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000659	HTR1D	P28221	5HT1D_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000476	HTR1E	P28566	5HT1E_HUMAN	antagonist	17848919; 26346901	"Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.@@de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000112	HRH2	P25021	HRH2_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000560	CHRM2	P08172	ACM2_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000045	CHRM3	P20309	ACM3_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000247	CHRM5	P08912	ACM5_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000632	OPRK1	P41145	OPRK_HUMAN	ligand	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	modulator	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01238	Aripiprazole	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	modulator	26346901	"de Bartolomeis A, Tomasetti C, Iasevoli F: Update on the Mechanism of Action of Aripiprazole: Translational Insights into Antipsychotic Strategies Beyond Dopamine Receptor Antagonism. CNS Drugs. 2015 Sep;29(9):773-99. doi: 10.1007/s40263-015-0278-3."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Quinolines; Quinolones; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; QTc shortening agents; Antidepressive Agents; Serotonin Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Serotonin 5-HT1D Receptor Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Dopamine Agents"	ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl					20435	46505745	D01164	PA10026		DAP000076	Aripiprazole	CHEMBL1112	89013
DB01239	Chlorprothixene	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	8101879; 1830565; 19091563; 11752352	"Froimowitz M, Cody V: Biologically active conformers of phenothiazines and thioxanthenes. Further evidence for a ligand model of dopamine D2 receptor antagonists. J Med Chem. 1993 Jul 23;36(15):2219-27.@@Fux M, Belmaker RH: A controlled comparative study of chlorprothixene vs. haloperidol in chronic schizophrenia. Isr J Psychiatry Relat Sci. 1991;28(1):37-40.@@von Coburg Y, Kottke T, Weizel L, Ligneau X, Stark H: Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics. Bioorg Med Chem Lett. 2009 Jan 15;19(2):538-42. doi: 10.1016/j.bmcl.2008.09.012.  Epub 2008 Sep 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	17139284; 17016423; 1830565	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fux M, Belmaker RH: A controlled comparative study of chlorprothixene vs. haloperidol in chronic schizophrenia. Isr J Psychiatry Relat Sci. 1991;28(1):37-40."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	22793499; 31725865	"Vasudevan SR, Moore JB, Schymura Y, Churchill GC: Shape-based reprofiling of FDA-approved drugs for the H(1) histamine receptor. J Med Chem. 2012 Aug 23;55(16):7054-60. doi: 10.1021/jm300671m. Epub 2012 Aug 6.@@Ding P, Yan X, Liu Z, Du J, Du Y, Lu Y, Wu D, Xu Y, Zhou H, Gu Q, Xu J: PTS: a pharmaceutical target seeker. Database (Oxford). 2017 Jan 1;2017. pii: 4781737. doi: 10.1093/database/bax095."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0004862	HTR1A	P34969	5HT7R_HUMAN	inhibitor	954816	"Drummond AH, Whigham KA, Prentice CR: Effects of chlorprothixene isomers on platelet 5-hydroxytryptamine receptors: evidence for different 5-hydroxytryptamine conformations at uptake and stimulatory sites. Eur J Pharmacol. 1976 Jun;37(2):385-8. doi: 10.1016/0014-2999(76)90047-9."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01239	Chlorprothixene	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Approved; Experimental; Investigational; Withdrawn			"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Histamine H1 Antagonists; Serotonin Receptor Antagonists; Agents producing tachycardia; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Anticholinergic Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Xanthenes; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12						46508957	D00790	PA164781400		DAP000833	Chlorprothixene	CHEMBL908	2406
DB01240	Epoprostenol	BE0000117	PTGIS	Q16647	PTGIS_HUMAN	inducer	20357747; 18081314	"Nakayama T: Genetic polymorphisms of prostacyclin synthase gene and cardiovascular disease. Int Angiol. 2010 Apr;29(2 Suppl):33-42.@@Ruan KH, Wu J, Cervantes V: Characterization of the substrate mimic bound to engineered prostacyclin synthase in solution using high-resolution NMR spectroscopy and mutagenesis: implication of the molecular mechanism in biosynthesis of prostacyclin. Biochemistry. 2008 Jan 15;47(2):680-8. Epub 2007 Dec 15."	Approved			"Inflammation Mediators; Vasodilation; Antihypertensive Agents; Anticoagulants; Eicosanoids; Prostacycline Vasodilator; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Prostacyclin Analogues; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O					11378	46507362	D00106	PA449479		DAP001213	Prostacyclin	CHEMBL1139	8814
DB01240	Epoprostenol	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	agonist	17155953; 12297509; 20085435	"Cattaneo M, Lecchi A: Inhibition of the platelet P2Y12 receptor for adenosine diphosphate potentiates the antiplatelet effect of prostacyclin. J Thromb Haemost. 2007 Mar;5(3):577-82. Epub 2006 Dec 7.@@Yang J, Wu J, Jiang H, Mortensen R, Austin S, Manning DR, Woulfe D, Brass LF: Signaling through Gi family members in platelets. Redundancy and specificity in the regulation of adenylyl cyclase and other effectors. J Biol Chem. 2002 Nov 29;277(48):46035-42. Epub 2002 Sep 23.@@Kobsar AL, Koessler J, Rajkovic MS, Brunner KP, Steigerwald U, Walter U: Prostacyclin receptor stimulation facilitates detection of human platelet P2Y(12) receptor inhibition by the PFA-100 system. Platelets. 2010;21(2):112-6. doi: 10.3109/09537100903440937."	Approved			"Inflammation Mediators; Vasodilation; Antihypertensive Agents; Anticoagulants; Eicosanoids; Prostacycline Vasodilator; Hypotensive Agents; Cardiovascular Agents; Platelet Aggregation Inhibitors Excl. Heparin; Fatty Acids; Drugs that are Mainly Renally Excreted; Antiplatelet agents; Prostacyclin Analogues; Biological Factors; Blood and Blood Forming Organs; Vasodilating Agents; Lipids; Prostaglandins I; Prostaglandins; Autacoids; Hematologic Agents; Fatty Acids, Unsaturated"	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O					11378	46507362	D00106	PA449479		DAP001213	Prostacyclin	CHEMBL1139	8814
DB01241	Gemfibrozil	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	10494028; 12172398; 12244038; 12834305; 12935323	"Clavey V, Copin C, Mariotte MC, Bauge E, Chinetti G, Fruchart J, Fruchart JC, Dallongeville J, Staels B: Cell culture conditions determine apolipoprotein CIII secretion and regulation by fibrates in human hepatoma HepG2 cells. Cell Physiol Biochem. 1999;9(3):139-49.@@Bosse Y, Pascot A, Dumont M, Brochu M, Prud'homme D, Bergeron J, Despres JP, Vohl MC: Influences of the PPAR alpha-L162V polymorphism on plasma HDL(2)-cholesterol response of abdominally obese men treated with gemfibrozil. Genet Med. 2002 Jul-Aug;4(4):311-5.@@Pahan K, Jana M, Liu X, Taylor BS, Wood C, Fischer SM: Gemfibrozil, a lipid-lowering drug, inhibits the induction of nitric-oxide synthase in human astrocytes. J Biol Chem. 2002 Nov 29;277(48):45984-91. Epub 2002 Sep 18.@@Shoji Y, Sanekata A, Sato M, Imaizumi K: Preparation of antiserum against rat delta6-desaturase and its use to evaluate the desaturase protein levels in rats treated with gemfibrozil, a ligand for peroxisome proliferator-activated receptor alpha. Biosci Biotechnol Biochem. 2003 May;67(5):1177-8.@@Rizvi F, Iftikhar M, George JP: Beneficial effects of fish liver preparations of sea bass (Lates calcarifer) versus gemfibrozil in high fat diet-induced lipid-intolerant rats. J Med Food. 2003 Summer;6(2):123-8."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; UGT1A1 Inhibitors; Butyrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Pentanoic Acids; Fatty Acids, Volatile; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; OATP1B3 inhibitors; Valerates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Lipids; Drugs causing inadvertant photosensitivity; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Phenyl Ethers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); UGT1A3 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1					1904	46508264	D00334	PA449750		DAP000210	Gemfibrozil	CHEMBL457	4719
DB01241	Gemfibrozil	BE0003645	SLC22A8	Q8TCC7	S22A8_HUMAN	inhibitor	25941268	"Varma MV, Lin J, Bi YA, Kimoto E, Rodrigues AD: Quantitative Rationalization of Gemfibrozil Drug Interactions: Consideration of Transporters-Enzyme Interplay and the Role of Circulating Metabolite Gemfibrozil 1-O-beta-Glucuronide. Drug Metab Dispos. 2015 Jul;43(7):1108-18. doi: 10.1124/dmd.115.064303. Epub 2015 May 4."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; UGT1A1 Inhibitors; Butyrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Pentanoic Acids; Fatty Acids, Volatile; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; OATP1B3 inhibitors; Valerates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Lipids; Drugs causing inadvertant photosensitivity; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Phenyl Ethers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); UGT1A3 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1					1904	46508264	D00334	PA449750		DAP000210	Gemfibrozil	CHEMBL457	4719
DB01241	Gemfibrozil	BE0001042	SLCO2B1	O94956	SO2B1_HUMAN	inhibitor	17470528	"Noe J, Portmann R, Brun ME, Funk C: Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3. Drug Metab Dispos. 2007 Aug;35(8):1308-14. doi: 10.1124/dmd.106.012930. Epub 2007 Apr 30."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; UGT1A1 Inhibitors; Butyrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Pentanoic Acids; Fatty Acids, Volatile; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; OATP1B3 inhibitors; Valerates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Lipids; Drugs causing inadvertant photosensitivity; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Phenyl Ethers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); UGT1A3 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1					1904	46508264	D00334	PA449750		DAP000210	Gemfibrozil	CHEMBL457	4719
DB01241	Gemfibrozil	BE0003659	SLCO1B3	Q9NPD5	SO1B3_HUMAN	inhibitor	17470528	"Noe J, Portmann R, Brun ME, Funk C: Substrate-dependent drug-drug interactions between gemfibrozil, fluvastatin and other organic anion-transporting peptide (OATP) substrates on OATP1B1, OATP2B1, and OATP1B3. Drug Metab Dispos. 2007 Aug;35(8):1308-14. doi: 10.1124/dmd.106.012930. Epub 2007 Apr 30."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Benzene Derivatives; Lipid Modifying Agents; Noxae; Peroxisome Proliferator-activated Receptor alpha Agonists; UGT1A1 Inhibitors; Butyrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Peroxisome Proliferator Receptor alpha Agonist; Phenols; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Drugs that are Mainly Renally Excreted; Isobutyrates; Cytochrome P-450 CYP2C9 Inhibitors; Lipid Regulating Agents; Pentanoic Acids; Fatty Acids, Volatile; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP2C8 Inducers; OATP1B3 inhibitors; Valerates; Lipid Modifying Agents, Plain; UGT1A3 substrates; Lipids; Drugs causing inadvertant photosensitivity; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Cytochrome P-450 CYP2C19 Inhibitors (strong); Hypolipidemic Agents; Phenyl Ethers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); UGT1A3 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Toxic Actions; Chemically-Induced Disorders; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1					1904	46508264	D00334	PA449750		DAP000210	Gemfibrozil	CHEMBL457	4719
DB01242	Clomipramine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	10613618; 12647451; 12695316; 14993096; 9305421; 9537821; 17471183	"Alvarez JC, Gluck N, Arnulf I, Quintin P, Leboyer M, Pecquery R, Launay JM, Perez-Diaz F, Spreux-Varoquaux O: Decreased platelet serotonin transporter sites and increased platelet inositol triphosphate levels in patients with unipolar depression: effects of clomipramine and fluoxetine. Clin Pharmacol Ther. 1999 Dec;66(6):617-24.@@Borkowska A, Pilaczynska E, Araszkiewicz A, Rybakowski J: [The effect of sertraline on cognitive functions in patients with obsessive-compulsive disorder]. Psychiatr Pol. 2002 Nov-Dec;36(6 Suppl):289-95.@@Suhara T, Takano A, Sudo Y, Ichimiya T, Inoue M, Yasuno F, Ikoma Y, Okubo Y: High levels of serotonin transporter occupancy with low-dose clomipramine in comparative occupancy study with fluvoxamine using positron emission tomography. Arch Gen Psychiatry. 2003 Apr;60(4):386-91.@@Larsen AK, Brennum LT, Egebjerg J, Sanchez C, Halldin C, Andersen PH: Selectivity of (3)H-MADAM binding to 5-hydroxytryptamine transporters in vitro and in vivo in mice; correlation with behavioural effects. Br J Pharmacol. 2004 Mar;141(6):1015-23. Epub 2004 Mar 1.@@Malizia AL, Melichar JM, Brown DJ, Gunn RN, Reynolds A, Jones T, Nutt DJ: Demonstration of clomipramine and venlafaxine occupation at serotonin reuptake sites in man in vivo. J Psychopharmacol. 1997;11(3):279-81.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30."	Approved; Investigational; Vet_approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2		Clomipramine Metabolism Pathway	drug_metabolism		2442	46505157	D00811	PA449048		DAP000742	Clomipramine	CHEMBL415	2597
DB01242	Clomipramine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	9862411; 14501155; 1296670	"Sargent PA, Quested DJ, Cowen PJ: Clomipramine enhances the cortisol response to 5-HTP: implications for the therapeutic role of 5-HT2 receptors. Psychopharmacology (Berl). 1998 Nov;140(1):120-2.@@Sugimoto Y, Inoue K, Yamada J: The tricyclic antidepressant clomipramine increases plasma glucose levels of mice. J Pharmacol Sci. 2003 Sep;93(1):74-9.@@Contreras CM, Marvan ML, Munoz-Mendez A, Ramirez-Morales A: Cortical and septal responses to dorsal raphe nucleus stimulation in the rat: long-term clomipramine actions. Bol Estud Med Biol. 1992 Jan-Dec;40(1-4):3-7."	Approved; Investigational; Vet_approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2		Clomipramine Metabolism Pathway	drug_metabolism		2442	46505157	D00811	PA449048		DAP000742	Clomipramine	CHEMBL415	2597
DB01242	Clomipramine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821; 11341486	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Jungkun G, Kuss HJ, Gsell W: Long-term effects of tricyclic antidepressants on norepinephrine kinetics in humans. J Neural Transm (Vienna). 2001;108(3):349-62."	Approved; Investigational; Vet_approved	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Serotonin Modulators; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; Antidepressive Agents Indicated for Depression; Dibenzazepines; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Tricyclics and Other Norepinephrine-reuptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2		Clomipramine Metabolism Pathway	drug_metabolism		2442	46505157	D00811	PA449048		DAP000742	Clomipramine	CHEMBL415	2597
DB01244	Bepridil	BE0000356	CACNA1A	O00555	CAC1A_HUMAN	inhibitor	17139284; 17016423; 7565636	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bezprozvanny I, Tsien RW: Voltage-dependent blockade of diverse types of voltage-gated Ca2+ channels expressed in Xenopus oocytes by the Ca2+ channel antagonist mibefradil (Ro 40-5967). Mol Pharmacol. 1995 Sep;48(3):540-9."	Approved; Withdrawn	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1						46506353	D07520	PA164754755		DAP000525	Bepridil	CHEMBL1008	1436
DB01244	Bepridil	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN	inhibitor	1281221; 7565636	"Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28.@@Bezprozvanny I, Tsien RW: Voltage-dependent blockade of diverse types of voltage-gated Ca2+ channels expressed in Xenopus oocytes by the Ca2+ channel antagonist mibefradil (Ro 40-5967). Mol Pharmacol. 1995 Sep;48(3):540-9."	Approved; Withdrawn	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1						46506353	D07520	PA164754755		DAP000525	Bepridil	CHEMBL1008	1436
DB01244	Bepridil	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	1329768; 2148481; 2207500; 2933041; 2938592	"Kovacic H, Gallice P, Crevat A: Inhibition of sodium pump by bepridil. An in vitro and microcalorimetric study. Biochem Pharmacol. 1992 Oct 20;44(8):1529-34.@@Raess BU, Record DM: Inhibition of erythrocyte Ca2(+)-pump by Ca2+ antagonists. Biochem Pharmacol. 1990 Dec 1;40(11):2549-55.@@Smith SJ, England PJ: The effects of reported Ca2+ sensitisers on the rates of Ca2+ release from cardiac troponin C and the troponin-tropomyosin complex. Br J Pharmacol. 1990 Aug;100(4):779-85.@@Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43.@@Fuchs J, Mainka L, Reifart N, Zimmer G: Effects of bepridil on heart mitochondrial membrane and the isolated rat heart preparation. Arzneimittelforschung. 1986 Feb;36(2):209-12."	Approved; Withdrawn	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1						46506353	D07520	PA164754755		DAP000525	Bepridil	CHEMBL1008	1436
DB01244	Bepridil	BE0000672	KCNQ1	P51787	KCNQ1_HUMAN	inhibitor	10860024; 14716203; 9765513	"Chouabe C, Drici MD, Romey G, Barhanin J: Effects of calcium channel blockers on cloned cardiac K+ channels IKr and IKs. Therapie. 2000 Jan-Feb;55(1):195-202.@@Yumoto Y, Horie M, Kubota T, Ninomiya T, Kobori A, Takenaka K, Takano M, Niwano S, Izumi T: Bepridil block of recombinant human cardiac IKs current shows a time-dependent unblock. J Cardiovasc Pharmacol. 2004 Feb;43(2):178-82.@@Chouabe C, Drici MD, Romey G, Barhanin J, Lazdunski M: HERG and KvLQT1/IsK, the cardiac K+ channels involved in long QT syndromes, are targets for calcium channel blockers. Mol Pharmacol. 1998 Oct;54(4):695-703."	Approved; Withdrawn	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1						46506353	D07520	PA164754755		DAP000525	Bepridil	CHEMBL1008	1436
DB01244	Bepridil	BE0003565	PDE1A	P54750	PDE1A_HUMAN	inhibitor	2933041	"Lamers JM, Cysouw KJ, Verdouw PD: Slow calcium channel blockers and calmodulin. Effect of felodipine, nifedipine, prenylamine and bepridil on cardiac sarcolemmal calcium pumping ATPase. Biochem Pharmacol. 1985 Nov 1;34(21):3837-43."	Approved; Withdrawn	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Pyrrolidines; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Highest Risk QTc-Prolonging Agents; Bradycardia-Causing Agents	CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1						46506353	D07520	PA164754755		DAP000525	Bepridil	CHEMBL1008	1436
DB01245	Decamethonium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	partial agonist	17139284; 17016423; 12067008; 7848904; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lee C, Jones T: Molecular conformation-activity relationship of decamethonium congeners. Br J Anaesth. 2002 May;88(5):692-9.@@Maneckjee R, Minna JD: Opioids induce while nicotine suppresses apoptosis in human lung cancer cells. Cell Growth Differ. 1994 Oct;5(10):1033-40.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Decamethonium compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Quaternary Ammonium Compounds; Neuromuscular Agents; Onium Compounds; Amines; Central Nervous System Depressants; Cholinesterase Inhibitors; Bis-Trimethylammonium Compounds; Neuromuscular Depolarizing Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents; Neurotoxic agents	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C						46507737		PA164747980		DAP000378	Decamethonium	CHEMBL1190	
DB01245	Decamethonium	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved	Decamethonium compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Quaternary Ammonium Compounds; Neuromuscular Agents; Onium Compounds; Amines; Central Nervous System Depressants; Cholinesterase Inhibitors; Bis-Trimethylammonium Compounds; Neuromuscular Depolarizing Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents; Neurotoxic agents	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C						46507737		PA164747980		DAP000378	Decamethonium	CHEMBL1190	
DB01245	Decamethonium	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		14645658	"Eaton JB, Peng JH, Schroeder KM, George AA, Fryer JD, Krishnan C, Buhlman L, Kuo YP, Steinlein O, Lukas RJ: Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells. Mol Pharmacol. 2003 Dec;64(6):1283-94."	Approved	Decamethonium compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Quaternary Ammonium Compounds; Neuromuscular Agents; Onium Compounds; Amines; Central Nervous System Depressants; Cholinesterase Inhibitors; Bis-Trimethylammonium Compounds; Neuromuscular Depolarizing Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents; Neurotoxic agents	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C						46507737		PA164747980		DAP000378	Decamethonium	CHEMBL1190	
DB01246	Alimemazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	7713167; 11752352	"Santos DE, Liu GJ, Takeuchi H: Blockers for excitatory effects of achatin-I, a tetrapeptide having a D-phenylalanine residue, on a snail neurone. Eur J Pharmacol. 1995 Jan 16;272(2-3):231-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Potential QTc-Prolonging Agents; Antipsychotic Agents; Phenothiazines; Phenothiazine Derivatives; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Central Nervous System Depressants; Histamine Antagonists; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Sulfur Compounds; Antihistamines for Systemic Use; Dermatologicals; Histamine Agents; Neurotoxic agents"	CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12		Alimemazine H1-Antihistamine Action	drug_action		7960	46508449	D07125	PA164744009		DAP001077	Alimemazine	CHEMBL829	10825
DB01247	Isocarboxazid	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	4070383; 2248058	"Mason ST: Chronic administration of type A monoamine oxidase inhibitors increases duration of thiopentone anaesthesia in the rat. Physiol Behav. 1985 Aug;35(2):201-3.@@Kettler R, Da Prada M, Burkard WP: Comparison of monoamine oxidase-A inhibition by moclobemide in vitro and ex vivo in rats. Acta Psychiatr Scand Suppl. 1990;360:101-2."	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Isoxazoles; Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Photosensitizing Agents; Psychoanaleptics; Serotonin Modulators; Monoamine Oxidase Inhibitors, Non-Selective; Agents that reduce seizure threshold; Drugs causing inadvertant photosensitivity; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Serotonin Agents; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1						46505330	D02580	PA450101		DAP000577	Isocarboxazid	CHEMBL1201168	6011
DB01248	Docetaxel	BE0001100	MAP2	P11137	MTAP2_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors	[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1		Docetaxel Action Pathway	drug_action		157	46506766	D02165	PA449383		DAP000590	Docetaxel	CHEMBL92	1299922
DB01248	Docetaxel	BE0003475	MAP4	P27816	MAP4_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors	[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1		Docetaxel Action Pathway	drug_action		157	46506766	D02165	PA449383		DAP000590	Docetaxel	CHEMBL92	1299922
DB01248	Docetaxel	BE0003474	MAPT	P10636	TAU_HUMAN		18068131	"McGrogan BT, Gilmartin B, Carney DN, McCann A: Taxanes, microtubules and chemoresistant breast cancer. Biochim Biophys Acta. 2008 Apr;1785(2):96-132. Epub 2007 Nov 12."	Approved; Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors	[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1		Docetaxel Action Pathway	drug_action		157	46506766	D02165	PA449383		DAP000590	Docetaxel	CHEMBL92	1299922
DB01248	Docetaxel	BE0000246	BCL2	P10415	BCL2_HUMAN		15161985; 15277270; 15643508; 15685445; 15714982; 17674353	"Gligorov J, Lotz JP: Preclinical pharmacology of the taxanes: implications of the differences. Oncologist. 2004;9 Suppl 2:3-8.@@Marshall J, Chen H, Yang D, Figueira M, Bouker KB, Ling Y, Lippman M, Frankel SR, Hayes DF: A phase I trial of a Bcl-2 antisense (G3139) and weekly docetaxel in patients with advanced breast cancer and other solid tumors. Ann Oncol. 2004 Aug;15(8):1274-83.@@Inoue Y, Gika M, Abiko T, Oyama T, Saitoh Y, Yamazaki H, Nakamura M, Abe Y, Kawamura M, Kobayashi K: Bcl-2 overexpression enhances in vitro sensitivity against docetaxel in non-small cell lung cancer. Oncol Rep. 2005 Feb;13(2):259-64.@@Petrylak DP: Chemotherapy for androgen-independent prostate cancer. World J Urol. 2005 Feb;23(1):10-3. Epub 2005 Feb 1.@@Miyoshi Y, Uemura H, Kubota Y: [Treatment of androgen-independent hormone refractory prostate cancer using docetaxel]. Nihon Rinsho. 2005 Feb;63(2):298-302.@@Magi-Galluzzi C, Zhou M, Reuther AM, Dreicer R, Klein EA: Neoadjuvant docetaxel treatment for locally advanced prostate cancer: a clinicopathologic study. Cancer. 2007 Sep 15;110(6):1248-54."	Approved; Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors	[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1		Docetaxel Action Pathway	drug_action		157	46506766	D02165	PA449383		DAP000590	Docetaxel	CHEMBL92	1299922
DB01248	Docetaxel	BE0000956	NR1I2	O75469	NR1I2_HUMAN	binder	15492266	"Ikezoe T, Hisatake Y, Takeuchi T, Ohtsuki Y, Yang Y, Said JW, Taguchi H, Koeffler HP: HIV-1 protease inhibitor, ritonavir: a potent inhibitor of CYP3A4, enhanced the anticancer effects of docetaxel in androgen-independent prostate cancer cells in vitro and in vivo. Cancer Res. 2004 Oct 15;64(20):7426-31."	Approved; Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Tubulin Modulators; Myelosuppressive Agents; Antimitotic Agents; Taxane Derivatives; Cyclodecanes; Cytochrome P-450 CYP3A Substrates; Taxoids; Cycloparaffins; Cytochrome P-450 Substrates; Cardiotoxic antineoplastic agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Terpenes; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Cytochrome P-450 CYP3A5 Substrates; Diterpenes; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Microtubule Inhibition; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Microtubule Inhibitors	[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1		Docetaxel Action Pathway	drug_action		157	46506766	D02165	PA449383		DAP000590	Docetaxel	CHEMBL92	1299922
DB01250	Olsalazine	BE0002204	XDH	P47989	XDH_HUMAN	inhibitor	3067340	"Campbell DE, Berglindh T: Pharmacology of olsalazine. Scand J Gastroenterol Suppl. 1988;148:7-12. doi: 10.3109/00365528809101539."	Approved	Azobenzenes	Organic compounds; Organoheterocyclic compounds; Azobenzenes	"Non COX-2 selective NSAIDS; Sensory System Agents; Anti-Inflammatory Agents; Nephrotoxic agents; Hydroxybenzoates; Benzene Derivatives; Gastrointestinal Agents; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Phenols; Salicylates; Alimentary Tract and Metabolism; Aminosalicylate; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Acids, Carbocyclic; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Intestinal Antiinflammatory Agents"	OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O					1226	46506356	D00727	PA450700			Olsalazine	CHEMBL425	32385
DB01251	Gliquidone	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	11078468; 11078469; 11484080; 11574406; 12475777	"Gribble FM, Ashcroft FM: Sulfonylurea sensitivity of adenosine triphosphate-sensitive potassium channels from beta cells and extrapancreatic tissues. Metabolism. 2000 Oct;49(10 Suppl 2):3-6.@@Harrower A: Gliclazide modified release: from once-daily administration to 24-hour blood glucose control. Metabolism. 2000 Oct;49(10 Suppl 2):7-11.@@Lawrence CL, Proks P, Rodrigo GC, Jones P, Hayabuchi Y, Standen NB, Ashcroft FM: Gliclazide produces high-affinity block of KATP channels in mouse isolated pancreatic beta cells but not rat heart or arterial smooth muscle cells. Diabetologia. 2001 Aug;44(8):1019-25.@@Reimann F, Ashcroft FM, Gribble FM: Structural basis for the interference between nicorandil and sulfonylurea action. Diabetes. 2001 Oct;50(10):2253-9.@@Proks P, Reimann F, Green N, Gribble F, Ashcroft F: Sulfonylurea stimulation of insulin secretion. Diabetes. 2002 Dec;51 Suppl 3:S368-76."	Approved; Investigational	"1,3-isoquinolinediones"	"Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,3-isoquinolinediones"	Drugs Used in Diabetes; Insulin Secretagogues; Oral Hypoglycemics; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Sulfones; Sulfonylureas; Sulfur Compounds; Amides; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O						46508425	D02430	PA164744895		DAP000924	Gliquidone	CHEMBL383634	25793
DB01252	Mitiglinide	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inhibitor	11716850; 17003348; 17592198	"Sunaga Y, Gonoi T, Shibasaki T, Ichikawa K, Kusama H, Yano H, Seino S: The effects of mitiglinide (KAD-1229), a new anti-diabetic drug, on ATP-sensitive K+ channels and insulin secretion: comparison with the sulfonylureas and nateglinide. Eur J Pharmacol. 2001 Nov 9;431(1):119-25.@@Nagamatsu S, Ohara-Imaizumi M, Nakamichi Y, Kikuta T, Nishiwaki C: Imaging docking and fusion of insulin granules induced by antidiabetes agents: sulfonylurea and glinide drugs preferentially mediate the fusion of newcomer, but not previously docked, insulin granules. Diabetes. 2006 Oct;55(10):2819-25.@@Ogawa K, Ikewaki K, Taniguchi I, Takatsuka H, Mori C, Sasaki H, Okazaki F, Shimizu M, Mochizuki S: Mitiglinide, a novel oral hypoglycemic agent, preserves the cardioprotective effect of ischemic preconditioning in isolated perfused rat hearts. Int Heart J. 2007 May;48(3):337-45."	Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Drugs Used in Diabetes; Heterocyclic Compounds, Fused-Ring; Oral Hypoglycemics; UGT2B7 substrates; UGT1A3 substrates; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism"	[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O						46506527	D01854	PA164748124		DAP000917	Mitiglinide	CHEMBL471498	
DB01252	Mitiglinide	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	17082235	"Scarsi M, Podvinec M, Roth A, Hug H, Kersten S, Albrecht H, Schwede T, Meyer UA, Rucker C: Sulfonylureas and glinides exhibit peroxisome proliferator-activated receptor gamma activity: a combined virtual screening and biological assay approach. Mol Pharmacol. 2007 Feb;71(2):398-406. Epub 2006 Nov 2."	Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Drugs Used in Diabetes; Heterocyclic Compounds, Fused-Ring; Oral Hypoglycemics; UGT2B7 substrates; UGT1A3 substrates; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism"	[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O						46506527	D01854	PA164748124		DAP000917	Mitiglinide	CHEMBL471498	
DB01253	Ergometrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	2897449; 19933260	"Gibson A, Carvajal A: Agonist profile of ergometrine (ergonovine) on a population of postsynaptic alpha-adrenoceptors. J Pharm Pharmacol. 1988 Feb;40(2):137-9.@@Zhu F, Han B, Kumar P, Liu X, Ma X, Wei X, Huang L, Guo Y, Han L, Zheng C, Chen Y: Update of TTD: Therapeutic Target Database. Nucleic Acids Res. 2010 Jan;38(Database issue):D787-91. doi: 10.1093/nar/gkp1014. Epub 2009 Nov 20."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Uterotonic agents; Adrenergic alpha-Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Genito Urinary System and Sex Hormones; Ergolines; Ergot Alkaloids and Derivatives; Serotonin Modulators; P-glycoprotein inhibitors; Adrenergic Agonists; Heterocyclic Compounds, Fused-Ring; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Adrenergic alpha-1 Receptor Agonists; Serotonin Agents; Reproductive Control Agents"	[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO					9366	46506922	D07905	PA449487		DAP000227	Ergonovine	CHEMBL119443	4021
DB01254	Dasatinib	BE0000841	EPHA2	P29317	EPHA2_HUMAN	antagonist	20072833; 18420784	"Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7.@@Christopher LJ, Cui D, Wu C, Luo R, Manning JA, Bonacorsi SJ, Lago M, Allentoff A, Lee FY, McCann B, Galbraith S, Reitberg DP, He K, Barros A Jr, Blackwood-Chirchir A, Humphreys WG, Iyer RA: Metabolism and disposition of dasatinib after oral administration to humans. Drug Metab Dispos. 2008 Jul;36(7):1357-64. doi: 10.1124/dmd.107.018267. Epub 2008 Apr 17."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000840	YES1	P07947	YES_HUMAN	inhibitor	16507911; 17541990; 20072833	"Trevino JG, Summy JM, Lesslie DP, Parikh NU, Hong DS, Lee FY, Donato NJ, Abbruzzese JL, Baker CH, Gallick GE: Inhibition of SRC expression and activity inhibits tumor progression and metastasis of human pancreatic adenocarcinoma cells in an orthotopic nude mouse model. Am J Pathol. 2006 Mar;168(3):962-72.@@Margutti S, Laufer SA: Are MAP kinases drug targets? Yes, but difficult ones. ChemMedChem. 2007 Aug;2(8):1116-40.@@Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000453	KIT	P10721	KIT_HUMAN	antagonist	16397263; 16434489; 17351742	"Schittenhelm MM, Shiraga S, Schroeder A, Corbin AS, Griffith D, Lee FY, Bokemeyer C, Deininger MW, Druker BJ, Heinrich MC: Dasatinib (BMS-354825), a dual SRC/ABL kinase inhibitor, inhibits the kinase activity of wild-type, juxtamembrane, and activation loop mutant KIT isoforms associated with human malignancies. Cancer Res. 2006 Jan 1;66(1):473-81.@@Shah NP, Lee FY, Luo R, Jiang Y, Donker M, Akin C: Dasatinib (BMS-354825) inhibits KITD816V, an imatinib-resistant activating mutation that triggers neoplastic growth in most patients with systemic mastocytosis. Blood. 2006 Jul 1;108(1):286-91. Epub 2006 Jan 24.@@Dizdar O, Dede DS, Bulut N, Altundag K: Dasatinib may also inhibit c-Kit in triple negative breast cancer cell lines. Breast Cancer Res Treat. 2008 Jan;107(2):303. Epub 2007 Mar 10."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000891	STAT5B	P51692	STA5B_HUMAN	inhibitor	17020995; 17431118	"Fiskus W, Pranpat M, Balasis M, Bali P, Estrella V, Kumaraswamy S, Rao R, Rocha K, Herger B, Lee F, Richon V, Bhalla K: Cotreatment with vorinostat (suberoylanilide hydroxamic acid) enhances activity of dasatinib (BMS-354825) against imatinib mesylate-sensitive or imatinib mesylate-resistant chronic myelogenous leukemia cells. Clin Cancer Res. 2006 Oct 1;12(19):5869-78.@@Nam S, Williams A, Vultur A, List A, Bhalla K, Smith D, Lee FY, Jove R: Dasatinib (BMS-354825) inhibits Stat5 signaling associated with apoptosis in chronic myelogenous leukemia cells. Mol Cancer Ther. 2007 Apr;6(4):1400-5."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000435	ABL2	P42684	ABL2_HUMAN	multitarget	20072833; 17684099	"Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7.@@Hantschel O, Rix U, Schmidt U, Burckstummer T, Kneidinger M, Schutze G, Colinge J, Bennett KL, Ellmeier W, Valent P, Superti-Furga G: The Btk tyrosine kinase is a major target of the Bcr-Abl inhibitor dasatinib. Proc Natl Acad Sci U S A. 2007 Aug 14;104(33):13283-8. Epub 2007 Aug 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000839	FYN	P06241	FYN_HUMAN	inhibitor	20072833; 32268657	"Lindauer M, Hochhaus A: Dasatinib. Recent Results Cancer Res. 2010;184:83-102. doi: 10.1007/978-3-642-01222-8_7.@@Lee D, Park YH, Lee JE, Kim HS, Min KY, Jo MG, Kim HS, Choi WS, Kim YM: Dasatinib Inhibits Lyn and Fyn Src-Family Kinases in Mast Cells to Suppress Type I Hypersensitivity in Mice. Biomol Ther (Seoul). 2020 Sep 1;28(5):456-464. doi: 10.4062/biomolther.2020.013."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0008998	NR4A3	Q92570	NR4A3_HUMAN	inhibitor	17684099	"Hantschel O, Rix U, Schmidt U, Burckstummer T, Kneidinger M, Schutze G, Colinge J, Bennett KL, Ellmeier W, Valent P, Superti-Furga G: The Btk tyrosine kinase is a major target of the Bcr-Abl inhibitor dasatinib. Proc Natl Acad Sci U S A. 2007 Aug 14;104(33):13283-8. Epub 2007 Aug 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0004743	BCR	P11274	BCR_HUMAN	inhibitor	15256671; 23226582; 18180381	"Shah NP, Tran C, Lee FY, Chen P, Norris D, Sawyers CL: Overriding imatinib resistance with a novel ABL kinase inhibitor. Science. 2004 Jul 16;305(5682):399-401.@@Reddy EP, Aggarwal AK: The ins and outs of bcr-abl inhibition. Genes Cancer. 2012 May;3(5-6):447-54. doi: 10.1177/1947601912462126.@@Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0001356	CSK	P41240	CSK_HUMAN	inhibitor	18180381; 22928736	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7.@@Kwarcinski FE, Fox CC, Steffey ME, Soellner MB: Irreversible inhibitors of c-Src kinase that target a nonconserved cysteine. ACS Chem Biol. 2012 Nov 16;7(11):1910-7. doi: 10.1021/cb300337u. Epub 2012 Sep 5."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0005587	EPHA5	P54756	EPHA5_HUMAN	inhibitor	18180381; 29356025	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7.@@Wang X, Zhang M, Ping F, Liu H, Sun J, Wang Y, Shen A, Ding J, Geng M: Identification and Therapeutic Intervention of Coactivated Anaplastic Lymphoma Kinase, Fibroblast Growth Factor Receptor 2, and Ephrin Type-A Receptor 5 Kinases in Hepatocellular Carcinoma. Hepatology. 2019 Feb;69(2):573-586. doi: 10.1002/hep.29792. Epub 2018 Mar 24."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0002453	EPHB4	P54760	EPHB4_HUMAN	inhibitor	18180381; 24733895	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7.@@Aslam MI, Abraham J, Mansoor A, Druker BJ, Tyner JW, Keller C: PDGFRbeta reverses EphB4 signaling in alveolar rhabdomyosarcoma. Proc Natl Acad Sci U S A. 2014 Apr 29;111(17):6383-8. doi: 10.1073/pnas.1403608111. Epub 2014 Apr 14."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0004742	FRK	P42685	FRK_HUMAN	binder	18180381	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	18180381; 32268657	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7.@@Lee D, Park YH, Lee JE, Kim HS, Min KY, Jo MG, Kim HS, Choi WS, Kim YM: Dasatinib Inhibits Lyn and Fyn Src-Family Kinases in Mast Cells to Suppress Type I Hypersensitivity in Mice. Biomol Ther (Seoul). 2020 Sep 1;28(5):456-464. doi: 10.4062/biomolther.2020.013."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0005595	ZAK	Q9NYL2	MLTK_HUMAN	binder	18180381	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0001019	MAPK14	Q16539	MK14_HUMAN	binder	18180381	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01254	Dasatinib	BE0000374	PPAT	Q06203	PUR1_HUMAN	binder	18180381	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01257	Eculizumab	BE0000855	C5	P01031	CO5_HUMAN	antibody	17139284; 17016423; 19399743; 20011245; 18784156; 17989688; 20378572; 16990386; 17702897; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Singer AL, Locke JE, Stewart ZA, Lonze BE, Hamilton JP, Scudiere JR, Anders RA, Rother RP, Brodsky RA, Cameron AM: Successful liver transplantation for Budd-Chiari syndrome in a patient with paroxysmal nocturnal hemoglobinuria treated with the anti-complement antibody eculizumab. Liver Transpl. 2009 May;15(5):540-3. doi: 10.1002/lt.21714.@@Kelly R, Richards S, Hillmen P, Hill A: The pathophysiology of paroxysmal nocturnal hemoglobinuria and treatment with eculizumab. Ther Clin Risk Manag. 2009;5:911-21. Epub .@@Dmytrijuk A, Robie-Suh K, Cohen MH, Rieves D, Weiss K, Pazdur R: FDA report: eculizumab (Soliris) for the treatment of patients with paroxysmal nocturnal hemoglobinuria. Oncologist. 2008 Sep;13(9):993-1000. doi: 10.1634/theoncologist.2008-0086. Epub 2008 Sep 10.@@Rother RP, Rollins SA, Mojcik CF, Brodsky RA, Bell L: Discovery and development of the complement inhibitor eculizumab for the treatment of paroxysmal nocturnal hemoglobinuria. Nat Biotechnol. 2007 Nov;25(11):1256-64.@@Luzzatto L, Risitano AM, Notaro R: Paroxysmal nocturnal hemoglobinuria and eculizumab. Haematologica. 2010 Apr;95(4):523-6. doi: 10.3324/haematol.2009.017848.@@Hillmen P, Young NS, Schubert J, Brodsky RA, Socie G, Muus P, Roth A, Szer J, Elebute MO, Nakamura R, Browne P, Risitano AM, Hill A, Schrezenmeier H, Fu CL, Maciejewski J, Rollins SA, Mojcik CF, Rother RP, Luzzatto L: The complement inhibitor eculizumab in paroxysmal nocturnal hemoglobinuria. N Engl J Med. 2006 Sep 21;355(12):1233-43.@@Hillmen P, Muus P, Duhrsen U, Risitano AM, Schubert J, Luzzatto L, Schrezenmeier H, Szer J, Brodsky RA, Hill A, Socie G, Bessler M, Rollins SA, Bell L, Rother RP, Young NS: Effect of the complement inhibitor eculizumab on thromboembolism in patients with paroxysmal nocturnal hemoglobinuria. Blood. 2007 Dec 1;110(12):4123-8. Epub 2007 Aug 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						20432	46505429		PA164776637		DAP000967	Eculizumab	CHEMBL1201828	591781
DB01259	Lapatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	12214266; 14633707; 14737100; 14751502; 14967461; 15163842; 15374980; 20658522; 16894399; 20110044; 18803986; 11752352	"Xia W, Mullin RJ, Keith BR, Liu LH, Ma H, Rusnak DW, Owens G, Alligood KJ, Spector NL: Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene. 2002 Sep 12;21(41):6255-63.@@Grana TM, Sartor CI, Cox AD: Epidermal growth factor receptor autocrine signaling in RIE-1 cells transformed by the Ras oncogene enhances radiation resistance. Cancer Res. 2003 Nov 15;63(22):7807-14.@@Xia W, Liu LH, Ho P, Spector NL: Truncated ErbB2 receptor (p95ErbB2) is regulated by heregulin through heterodimer formation with ErbB3 yet remains sensitive to the dual EGFR/ErbB2 kinase inhibitor GW572016. Oncogene. 2004 Jan 22;23(3):646-53.@@Zhou H, Kim YS, Peletier A, McCall W, Earp HS, Sartor CI: Effects of the EGFR/HER2 kinase inhibitor GW572016 on EGFR- and HER2-overexpressing breast cancer cell line proliferation, radiosensitization, and resistance. Int J Radiat Oncol Biol Phys. 2004 Feb 1;58(2):344-52.@@Langer CJ: Emerging role of epidermal growth factor receptor inhibition in therapy for advanced malignancy: focus on NSCLC. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):991-1002.@@Burris HA 3rd: Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib. Oncologist. 2004;9 Suppl 3:10-5.@@Wood ER, Truesdale AT, McDonald OB, Yuan D, Hassell A, Dickerson SH, Ellis B, Pennisi C, Horne E, Lackey K, Alligood KJ, Rusnak DW, Gilmer TM, Shewchuk L: A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 2004 Sep 15;64(18):6652-9.@@Vazquez-Martin A, Oliveras-Ferraros C, Cufi S, Del Barco S, Martin-Castillo B, Menendez JA: Lapatinib, a dual HER1/HER2 tyrosine kinase inhibitor, augments basal cleavage of HER2 extracellular domain (ECD) to inhibit HER2-driven cancer cell growth. J Cell Physiol. 2011 Jan;226(1):52-7. doi: 10.1002/jcp.22333.@@Johnston SR, Leary A: Lapatinib: a novel EGFR/HER2 tyrosine kinase inhibitor for cancer. Drugs Today (Barc). 2006 Jul;42(7):441-53.@@Tevaarwerk AJ, Kolesar JM: Lapatinib: a small-molecule inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor-2 tyrosine kinases used in the treatment of breast cancer. Clin Ther. 2009;31 Pt 2:2332-48. doi: 10.1016/j.clinthera.2009.11.029.@@Medina PJ, Goodin S: Lapatinib: a dual inhibitor of human epidermal growth factor receptor tyrosine kinases. Clin Ther. 2008 Aug;30(8):1426-47. doi: 10.1016/j.clinthera.2008.08.008.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Quinazolines"	CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1					20463	46507141	D04024	PA152241907		DCL000344	Lapatinib	CHEMBL554	480167
DB01259	Lapatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	antagonist	14737100; 14751502; 14967461; 15163842; 15374980; 14633707; 12214266; 20658522; 16894399; 20110044; 18803986; 11752352	"Xia W, Liu LH, Ho P, Spector NL: Truncated ErbB2 receptor (p95ErbB2) is regulated by heregulin through heterodimer formation with ErbB3 yet remains sensitive to the dual EGFR/ErbB2 kinase inhibitor GW572016. Oncogene. 2004 Jan 22;23(3):646-53.@@Zhou H, Kim YS, Peletier A, McCall W, Earp HS, Sartor CI: Effects of the EGFR/HER2 kinase inhibitor GW572016 on EGFR- and HER2-overexpressing breast cancer cell line proliferation, radiosensitization, and resistance. Int J Radiat Oncol Biol Phys. 2004 Feb 1;58(2):344-52.@@Langer CJ: Emerging role of epidermal growth factor receptor inhibition in therapy for advanced malignancy: focus on NSCLC. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):991-1002.@@Burris HA 3rd: Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib. Oncologist. 2004;9 Suppl 3:10-5.@@Wood ER, Truesdale AT, McDonald OB, Yuan D, Hassell A, Dickerson SH, Ellis B, Pennisi C, Horne E, Lackey K, Alligood KJ, Rusnak DW, Gilmer TM, Shewchuk L: A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 2004 Sep 15;64(18):6652-9.@@Grana TM, Sartor CI, Cox AD: Epidermal growth factor receptor autocrine signaling in RIE-1 cells transformed by the Ras oncogene enhances radiation resistance. Cancer Res. 2003 Nov 15;63(22):7807-14.@@Xia W, Mullin RJ, Keith BR, Liu LH, Ma H, Rusnak DW, Owens G, Alligood KJ, Spector NL: Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene. 2002 Sep 12;21(41):6255-63.@@Vazquez-Martin A, Oliveras-Ferraros C, Cufi S, Del Barco S, Martin-Castillo B, Menendez JA: Lapatinib, a dual HER1/HER2 tyrosine kinase inhibitor, augments basal cleavage of HER2 extracellular domain (ECD) to inhibit HER2-driven cancer cell growth. J Cell Physiol. 2011 Jan;226(1):52-7. doi: 10.1002/jcp.22333.@@Johnston SR, Leary A: Lapatinib: a novel EGFR/HER2 tyrosine kinase inhibitor for cancer. Drugs Today (Barc). 2006 Jul;42(7):441-53.@@Tevaarwerk AJ, Kolesar JM: Lapatinib: a small-molecule inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor-2 tyrosine kinases used in the treatment of breast cancer. Clin Ther. 2009;31 Pt 2:2332-48. doi: 10.1016/j.clinthera.2009.11.029.@@Medina PJ, Goodin S: Lapatinib: a dual inhibitor of human epidermal growth factor receptor tyrosine kinases. Clin Ther. 2008 Aug;30(8):1426-47. doi: 10.1016/j.clinthera.2008.08.008.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Quinazolines"	CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1					20463	46507141	D04024	PA152241907		DCL000344	Lapatinib	CHEMBL554	480167
DB01260	Desonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	20427668; 17038445; 20371666	"Russell GM, Henley DE, Leendertz J, Douthwaite JA, Wood SA, Stevens A, Woltersdorf WW, Peeters BW, Ruigt GS, White A, Veldhuis JD, Lightman SL: Rapid glucocorticoid receptor-mediated inhibition of hypothalamic-pituitary-adrenal ultradian activity in healthy males. J Neurosci. 2010 Apr 28;30(17):6106-15. doi: 10.1523/JNEUROSCI.5332-09.2010.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Otte C, Wust S, Zhao S, Pawlikowska L, Kwok PY, Whooley MA: Glucocorticoid receptor gene, low-grade inflammation, and heart failure: the Heart and Soul study. J Clin Endocrinol Metab. 2010 Jun;95(6):2885-91. doi: 10.1210/jc.2009-2251. Epub  2010 Apr 6."	Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Sensory Organs; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Pregnadienes; Pregnanes"	[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7512	46506186	D03696	PA164776996		DAP001188	Desonide	CHEMBL1201109	3254
DB01262	Decitabine	BE0000892	DNMT1	P26358	DNMT1_HUMAN	inhibitor	11069027; 11259619; 11352938; 11688997; 12907443; 11752352; 20072836; 16015501; 18398832; 18425818; 17023173; 29455551; 17991895	"Ando T, Nishimura M, Oka Y: Decitabine (5-Aza-2'-deoxycytidine) decreased DNA methylation and expression of MDR-1 gene in K562/ADM cells. Leukemia. 2000 Nov;14(11):1915-20.@@Karpf AR, Moore BC, Ririe TO, Jones DA: Activation of the p53 DNA damage response pathway after inhibition of DNA methyltransferase by 5-aza-2'-deoxycytidine. Mol Pharmacol. 2001 Apr;59(4):751-7.@@Csankovszki G, Nagy A, Jaenisch R: Synergism of Xist RNA, DNA methylation, and histone hypoacetylation in maintaining X chromosome inactivation. J Cell Biol. 2001 May 14;153(4):773-84.@@Takebayashi S, Nakao M, Fujita N, Sado T, Tanaka M, Taguchi H, Okumura K: 5-Aza-2'-deoxycytidine induces histone hyperacetylation of mouse centromeric heterochromatin by a mechanism independent of DNA demethylation. Biochem Biophys Res Commun. 2001 Nov 9;288(4):921-6.@@Saunthararajah Y, Hillery CA, Lavelle D, Molokie R, Dorn L, Bressler L, Gavazova S, Chen YH, Hoffman R, DeSimone J: Effects of 5-aza-2'-deoxycytidine on fetal hemoglobin levels, red cell adhesion, and hematopoietic differentiation in patients with sickle cell disease. Blood. 2003 Dec 1;102(12):3865-70. Epub 2003 Aug 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Daskalakis M, Blagitko-Dorfs N, Hackanson B: Decitabine. Recent Results Cancer Res. 2010;184:131-57. doi: 10.1007/978-3-642-01222-8_10.@@Saba HI, Wijermans PW: Decitabine in myelodysplastic syndromes. Semin Hematol. 2005 Jul;42(3 Suppl 2):S23-31.@@Jabbour E, Issa JP, Garcia-Manero G, Kantarjian H: Evolution of decitabine development: accomplishments, ongoing investigations, and future strategies. Cancer. 2008 Jun;112(11):2341-51. doi: 10.1002/cncr.23463.@@Stresemann C, Lyko F: Modes of action of the DNA methyltransferase inhibitors azacytidine and decitabine. Int J Cancer. 2008 Jul 1;123(1):8-13. doi: 10.1002/ijc.23607.@@Oki Y, Aoki E, Issa JP: Decitabine--bedside to bench. Crit Rev Oncol Hematol. 2007 Feb;61(2):140-52. Epub 2006 Oct 4.@@Seelan RS, Mukhopadhyay P, Pisano MM, Greene RM: Effects of 5-Aza-2'-deoxycytidine (decitabine) on gene expression. Drug Metab Rev. 2018 May;50(2):193-207. doi: 10.1080/03602532.2018.1437446. Epub 2018 Feb 18.@@Palii SS, Van Emburgh BO, Sankpal UT, Brown KD, Robertson KD: DNA methylation inhibitor 5-Aza-2'-deoxycytidine induces reversible genome-wide DNA damage that is distinctly influenced by DNA methyltransferases 1 and 3B. Mol Cell Biol. 2008 Jan;28(2):752-71. Epub 2007 Nov 8."	Approved; Investigational	Triazinones	Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones	"Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1					23041	46505657	D03665	PA164749631		DAP000641	Decitabine	CHEMBL1201129	15657
DB01262	Decitabine	BE0009880	DNMT3A	Q9Y6K1	DNM3A_HUMAN	inhibitor	17023173; 29455551; 27330573	"Oki Y, Aoki E, Issa JP: Decitabine--bedside to bench. Crit Rev Oncol Hematol. 2007 Feb;61(2):140-52. Epub 2006 Oct 4.@@Seelan RS, Mukhopadhyay P, Pisano MM, Greene RM: Effects of 5-Aza-2'-deoxycytidine (decitabine) on gene expression. Drug Metab Rev. 2018 May;50(2):193-207. doi: 10.1080/03602532.2018.1437446. Epub 2018 Feb 18.@@Diesch J, Zwick A, Garz AK, Palau A, Buschbeck M, Gotze KS: A clinical-molecular update on azanucleoside-based therapy for the treatment of hematologic cancers. Clin Epigenetics. 2016 Jun 21;8:71. doi: 10.1186/s13148-016-0237-y. eCollection 2016."	Approved; Investigational	Triazinones	Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones	"Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1					23041	46505657	D03665	PA164749631		DAP000641	Decitabine	CHEMBL1201129	15657
DB01262	Decitabine	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	26848406	"Favreau AJ, McGlauflin RE, Duarte CW, Sathyanarayana P: miR-199b, a novel tumor suppressor miRNA in acute myeloid leukemia with prognostic implications. Exp Hematol Oncol. 2016 Feb 3;5:4. doi: 10.1186/s40164-016-0033-6. eCollection 2015."	Approved; Investigational	Triazinones	Organic compounds; Organoheterocyclic compounds; Triazines; Triazinones	"Myelosuppressive Agents; Ribonucleosides; Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Noxae; Aza Compounds; Antineoplastic Agents; Pyrimidine Analogues; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Cytidine Deaminase Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Pyrimidines; Narrow Therapeutic Index Drugs; Toxic Actions; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1					23041	46505657	D03665	PA164749631		DAP000641	Decitabine	CHEMBL1201129	15657
DB01267	Paliperidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	7524043; 7531353; 16119512; 16513859; 11132243; 12211096; 11752352	"Cohen LJ: Risperidone. Pharmacotherapy. 1994 May-Jun;14(3):253-65.@@Megens AA, Awouters FH, Schotte A, Meert TF, Dugovic C, Niemegeers CJ, Leysen JE: Survey on the pharmacodynamics of the new antipsychotic risperidone. Psychopharmacology (Berl). 1994 Feb;114(1):9-23.@@Regenthal R, Kunstler U, Hesse S, Sabri O, Preiss R: D2 dopamine receptor occupancy, risperidone plasma level and extrapyramidal motor symptoms in previously drug-free schizophrenic patients. Int J Clin Pharmacol Ther. 2005 Aug;43(8):370-8.@@Remington G, Mamo D, Labelle A, Reiss J, Shammi C, Mannaert E, Mann S, Kapur S: A PET study evaluating dopamine D2 receptor occupancy for long-acting injectable risperidone. Am J Psychiatry. 2006 Mar;163(3):396-401.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Yamada Y, Ohno Y, Nakashima Y, Fukuda M, Takayanagi R, Sato H, Tsuchiya F, Sawada Y, Iga T: Prediction and assessment of extrapyramidal side effects induced by risperidone based on dopamine D(2) receptor occupancy. Synapse. 2002 Oct;46(1):32-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	7520908; 7531353	"Leysen JE, Janssen PM, Megens AA, Schotte A: Risperidone: a novel antipsychotic with balanced serotonin-dopamine antagonism, receptor occupancy profile, and pharmacologic activity. J Clin Psychiatry. 1994 May;55 Suppl:5-12.@@Megens AA, Awouters FH, Schotte A, Meert TF, Dugovic C, Niemegeers CJ, Leysen JE: Survey on the pharmacodynamics of the new antipsychotic risperidone. Psychopharmacology (Berl). 1994 Feb;114(1):9-23."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	11132243	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	28449568; 22023179	"Cicek E, Cicek IE, Uguz F: Bilateral Pretibial Edema Associated with Paliperidone Palmitate Long-acting Injectable: A Case Report. Clin Psychopharmacol Neurosci. 2017 May 31;15(2):184-186. doi: 10.9758/cpn.2017.15.2.184.@@Gilday E, Nasrallah HA: Clinical pharmacology of paliperidone palmitate a parenteral long-acting formulation for the treatment of schizophrenia. Rev Recent Clin Trials. 2012 Feb;7(1):2-9."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7524043; 8925876; 15907153; 15992090; 7531353; 18542932; 11132243; 7691623	"Cohen LJ: Risperidone. Pharmacotherapy. 1994 May-Jun;14(3):253-65.@@Eltze M: In functional experiments, risperidone is selective, not for the B, but for the A subtype of alpha 1-adrenoceptors. Eur J Pharmacol. 1996 Jan 4;295(1):69-73.@@Fenton C, Scott LJ: Risperidone: a review of its use in the treatment of bipolar mania. CNS Drugs. 2005;19(5):429-44.@@Keks NA, Culhane C: Risperidone (Risperdal): clinical experience with a new antipsychosis drug. Expert Opin Investig Drugs. 1999 Apr;8(4):443-52.@@Megens AA, Awouters FH, Schotte A, Meert TF, Dugovic C, Niemegeers CJ, Leysen JE: Survey on the pharmacodynamics of the new antipsychotic risperidone. Psychopharmacology (Berl). 1994 Feb;114(1):9-23.@@Nourian Z, Mow T, Muftic D, Burek S, Pedersen ML, Matz J, Mulvany MJ: Orthostatic hypotensive effect of antipsychotic drugs in Wistar rats by in vivo and in vitro studies of alpha1-adrenoceptor function. Psychopharmacology (Berl). 2008 Jul;199(1):15-27. doi: 10.1007/s00213-007-1064-9. Epub 2008 Jun 10.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Sleight AJ, Koek W, Bigg DC: Binding of antipsychotic drugs at alpha 1A- and alpha 1B-adrenoceptors: risperidone is selective for the alpha 1B-adrenoceptors. Eur J Pharmacol. 1993 Jul 20;238(2-3):407-10."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	7524043; 8925876; 15907153; 15992090; 7531353; 18542932; 11132243; 7691623	"Cohen LJ: Risperidone. Pharmacotherapy. 1994 May-Jun;14(3):253-65.@@Eltze M: In functional experiments, risperidone is selective, not for the B, but for the A subtype of alpha 1-adrenoceptors. Eur J Pharmacol. 1996 Jan 4;295(1):69-73.@@Fenton C, Scott LJ: Risperidone: a review of its use in the treatment of bipolar mania. CNS Drugs. 2005;19(5):429-44.@@Keks NA, Culhane C: Risperidone (Risperdal): clinical experience with a new antipsychosis drug. Expert Opin Investig Drugs. 1999 Apr;8(4):443-52.@@Megens AA, Awouters FH, Schotte A, Meert TF, Dugovic C, Niemegeers CJ, Leysen JE: Survey on the pharmacodynamics of the new antipsychotic risperidone. Psychopharmacology (Berl). 1994 Feb;114(1):9-23.@@Nourian Z, Mow T, Muftic D, Burek S, Pedersen ML, Matz J, Mulvany MJ: Orthostatic hypotensive effect of antipsychotic drugs in Wistar rats by in vivo and in vitro studies of alpha1-adrenoceptor function. Psychopharmacology (Berl). 2008 Jul;199(1):15-27. doi: 10.1007/s00213-007-1064-9. Epub 2008 Jun 10.@@Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39.@@Sleight AJ, Koek W, Bigg DC: Binding of antipsychotic drugs at alpha 1A- and alpha 1B-adrenoceptors: risperidone is selective for the alpha 1B-adrenoceptors. Eur J Pharmacol. 1993 Jul 20;238(2-3):407-10."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000659	HTR1D	P28221	5HT1D_HUMAN	antagonist	11132243	"Richelson E, Souder T: Binding of antipsychotic drugs to human brain receptors focus on newer generation compounds. Life Sci. 2000 Nov 24;68(1):29-39."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01267	Paliperidone	BE0000650	HTR7	P34969	5HT7R_HUMAN		18996971; 19509219; 20827463	"Knight JA, Smith C, Toohey N, Klein MT, Teitler M: Pharmacological analysis of the novel, rapid, and potent inactivation of the human 5-Hydroxytryptamine7 receptor by risperidone, 9-OH-Risperidone, and other inactivating antagonists. Mol Pharmacol. 2009 Feb;75(2):374-80. doi: 10.1124/mol.108.052084. Epub 2008 Nov  7.@@Toohey N, Klein MT, Knight J, Smith C, Teitler M: Human 5-HT7 receptor-induced inactivation of forskolin-stimulated adenylate cyclase by risperidone, 9-OH-risperidone and other ""inactivating antagonists"". Mol Pharmacol. 2009 Sep;76(3):552-9. doi: 10.1124/mol.109.056283. Epub 2009 Jun 9.@@Teitler M, Toohey N, Knight JA, Klein MT, Smith C: Clozapine and other competitive antagonists reactivate risperidone-inactivated h5-HT7 receptors: radioligand binding and functional evidence for GPCR homodimer protomer interactions. Psychopharmacology (Berl). 2010 Dec;212(4):687-97. doi: 10.1007/s00213-010-2001-x. Epub 2010 Sep 9."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Isoxazoles; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Pyrimidines; Nervous System; Dopamine Agents	CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1					20163	46506296	D05339	PA163518919		DAP000847	Paliperidone	CHEMBL1621	679314
DB01268	Sunitinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	14654525; 17367763	"O'Farrell AM, Foran JM, Fiedler W, Serve H, Paquette RL, Cooper MA, Yuen HA, Louie SG, Kim H, Nicholas S, Heinrich MC, Berdel WE, Bello C, Jacobs M, Scigalla P, Manning WC, Kelsey S, Cherrington JM: An innovative phase I clinical study demonstrates inhibition of FLT3 phosphorylation by SU11248 in acute myeloid leukemia patients. Clin Cancer Res. 2003 Nov 15;9(15):5465-76.@@Roskoski R Jr: Sunitinib: a VEGF and PDGF receptor protein kinase and angiogenesis inhibitor. Biochem Biophys Res Commun. 2007 May 4;356(2):323-8. Epub 2007 Mar 7."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	12748309; 12873999; 17545799; 14753710; 17367763; 11752352	"Abrams TJ, Lee LB, Murray LJ, Pryer NK, Cherrington JM: SU11248 inhibits KIT and platelet-derived growth factor receptor beta in preclinical models of human small cell lung cancer. Mol Cancer Ther. 2003 May;2(5):471-8.@@Schueneman AJ, Himmelfarb E, Geng L, Tan J, Donnelly E, Mendel D, McMahon G, Hallahan DE: SU11248 maintenance therapy prevents tumor regrowth after fractionated irradiation of murine tumor models. Cancer Res. 2003 Jul 15;63(14):4009-16.@@Joensuu H: Second line therapies for the treatment of gastrointestinal stromal tumor. Curr Opin Oncol. 2007 Jul;19(4):353-8.@@Baratte S, Sarati S, Frigerio E, James CA, Ye C, Zhang Q: Quantitation of SU1 1248, an oral multi-target tyrosine kinase inhibitor, and its metabolite in monkey tissues by liquid chromatograph with tandem mass spectrometry following semi-automated liquid-liquid extraction. J Chromatogr A. 2004 Jan 23;1024(1-2):87-94.@@Roskoski R Jr: Sunitinib: a VEGF and PDGF receptor protein kinase and angiogenesis inhibitor. Biochem Biophys Res Commun. 2007 May 4;356(2):323-8. Epub 2007 Mar 7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	12538485; 12873999; 14753710; 16418310; 16533791; 11752352	"Mendel DB, Laird AD, Xin X, Louie SG, Christensen JG, Li G, Schreck RE, Abrams TJ, Ngai TJ, Lee LB, Murray LJ, Carver J, Chan E, Moss KG, Haznedar JO, Sukbuntherng J, Blake RA, Sun L, Tang C, Miller T, Shirazian S, McMahon G, Cherrington JM: In vivo antitumor activity of SU11248, a novel tyrosine kinase inhibitor targeting vascular endothelial growth factor and platelet-derived growth factor receptors: determination of a pharmacokinetic/pharmacodynamic relationship. Clin Cancer Res. 2003 Jan;9(1):327-37.@@Schueneman AJ, Himmelfarb E, Geng L, Tan J, Donnelly E, Mendel D, McMahon G, Hallahan DE: SU11248 maintenance therapy prevents tumor regrowth after fractionated irradiation of murine tumor models. Cancer Res. 2003 Jul 15;63(14):4009-16.@@Baratte S, Sarati S, Frigerio E, James CA, Ye C, Zhang Q: Quantitation of SU1 1248, an oral multi-target tyrosine kinase inhibitor, and its metabolite in monkey tissues by liquid chromatograph with tandem mass spectrometry following semi-automated liquid-liquid extraction. J Chromatogr A. 2004 Jan 23;1024(1-2):87-94.@@Schoffski P, Dumez H, Clement P, Hoeben A, Prenen H, Wolter P, Joniau S, Roskams T, Van Poppel H: Emerging role of tyrosine kinase inhibitors in the treatment of advanced renal cell cancer: a review. Ann Oncol. 2006 Aug;17(8):1185-96. Epub 2006 Jan 17.@@Amino N, Ideyama Y, Yamano M, Kuromitsu S, Tajinda K, Samizu K, Hisamichi H, Matsuhisa A, Shirasuna K, Kudoh M, Shibasaki M: YM-359445, an orally bioavailable vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor, has highly potent antitumor activity against established tumors. Clin Cancer Res. 2006 Mar 1;12(5):1630-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	17367763; 17605814; 16685460; 17296815; 15688612	"Roskoski R Jr: Sunitinib: a VEGF and PDGF receptor protein kinase and angiogenesis inhibitor. Biochem Biophys Res Commun. 2007 May 4;356(2):323-8. Epub 2007 Mar 7.@@Deprimo SE, Bello CL, Smeraglia J, Baum CM, Spinella D, Rini BI, Michaelson MD, Motzer RJ: Circulating protein biomarkers of pharmacodynamic activity of sunitinib in patients with metastatic renal cell carcinoma: modulation of VEGF and VEGF-related proteins. J Transl Med. 2007 Jul 2;5:32.@@Katoh Y, Katoh M: Comparative integromics on VEGF family members. Int J Oncol. 2006 Jun;28(6):1585-9.@@Gridelli C, Maione P, Del Gaizo F, Colantuoni G, Guerriero C, Ferrara C, Nicolella D, Comunale D, De Vita A, Rossi A: Sorafenib and sunitinib in the treatment of advanced non-small cell lung cancer. Oncologist. 2007 Feb;12(2):191-200.@@Ahmed SI, Thomas AL, Steward WP: Vascular endothelial growth factor (VEGF) inhibition by small molecules. J Chemother. 2004 Nov;16 Suppl 4:59-63."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	12531805; 14654525; 14753710; 15180525; 15304385; 11752352	"O'Farrell AM, Abrams TJ, Yuen HA, Ngai TJ, Louie SG, Yee KW, Wong LM, Hong W, Lee LB, Town A, Smolich BD, Manning WC, Murray LJ, Heinrich MC, Cherrington JM: SU11248 is a novel FLT3 tyrosine kinase inhibitor with potent activity in vitro and in vivo. Blood. 2003 May 1;101(9):3597-605. Epub 2003 Jan 16.@@O'Farrell AM, Foran JM, Fiedler W, Serve H, Paquette RL, Cooper MA, Yuen HA, Louie SG, Kim H, Nicholas S, Heinrich MC, Berdel WE, Bello C, Jacobs M, Scigalla P, Manning WC, Kelsey S, Cherrington JM: An innovative phase I clinical study demonstrates inhibition of FLT3 phosphorylation by SU11248 in acute myeloid leukemia patients. Clin Cancer Res. 2003 Nov 15;9(15):5465-76.@@Baratte S, Sarati S, Frigerio E, James CA, Ye C, Zhang Q: Quantitation of SU1 1248, an oral multi-target tyrosine kinase inhibitor, and its metabolite in monkey tissues by liquid chromatograph with tandem mass spectrometry following semi-automated liquid-liquid extraction. J Chromatogr A. 2004 Jan 23;1024(1-2):87-94.@@Schmidt-Arras D, Schwable J, Bohmer FD, Serve H: Flt3 receptor tyrosine kinase as a drug target in leukemia. Curr Pharm Des. 2004;10(16):1867-83.@@Yee KW, Schittenhelm M, O'Farrell AM, Town AR, McGreevey L, Bainbridge T, Cherrington JM, Heinrich MC: Synergistic effect of SU11248 with cytarabine or daunorubicin on FLT3 ITD-positive leukemic cells. Blood. 2004 Dec 15;104(13):4202-9. Epub 2004 Aug 10.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	16638875	"Prenen H, Cools J, Mentens N, Folens C, Sciot R, Schoffski P, Van Oosterom A, Marynen P, Debiec-Rychter M: Efficacy of the kinase inhibitor SU11248 against gastrointestinal stromal tumor mutants refractory to imatinib mesylate. Clin Cancer Res. 2006 Apr 15;12(8):2622-7."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01268	Sunitinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor	30658233	"Ibrahim HS, Albakri ME, Mahmoud WR, Allam HA, Reda AM, Abdel-Aziz HA: Synthesis and biological evaluation of some novel thiobenzimidazole derivatives as anti-renal cancer agents through inhibition of c-MET kinase. Bioorg Chem. 2019 Apr;85:337-348. doi: 10.1016/j.bioorg.2019.01.006. Epub 2019 Jan 8."	Approved; Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"QTc Prolonging Agents; Enzyme Inhibitors; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Indoles; Blood Glucose Lowering Agents; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Growth Inhibitors; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hypoglycemia-Associated Agents; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C					19249	46507140	D06402	PA162372840		DCL000646	Sunitinib	CHEMBL535	357977
DB01269	Panitumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	suppressor	11894013; 12620146; 14967460; 16012181; 16857825; 11255078; 20623992; 18343240; 17355997; 18503402; 20481659; 11752352	"Lynch DH, Yang XD: Therapeutic potential of ABX-EGF: a fully human anti-epidermal growth factor receptor monoclonal antibody for cancer treatment. Semin Oncol. 2002 Feb;29(1 Suppl 4):47-50.@@Cohen RB: Epidermal growth factor receptor as a therapeutic target in colorectal cancer. Clin Colorectal Cancer. 2003 Feb;2(4):246-51.@@Foon KA, Yang XD, Weiner LM, Belldegrun AS, Figlin RA, Crawford J, Rowinsky EK, Dutcher JP, Vogelzang NJ, Gollub J, Thompson JA, Schwartz G, Bukowski RM, Roskos LK, Schwab GM: Preclinical and clinical evaluations of ABX-EGF, a fully human anti-epidermal growth factor receptor antibody. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):984-90.@@Segaert S, Van Cutsem E: Clinical signs, pathophysiology and management of skin toxicity during therapy with epidermal growth factor receptor inhibitors. Ann Oncol. 2005 Sep;16(9):1425-33. Epub 2005 Jul 12.@@Heymach JV, Nilsson M, Blumenschein G, Papadimitrakopoulou V, Herbst R: Epidermal growth factor receptor inhibitors in development for the treatment of non-small cell lung cancer. Clin Cancer Res. 2006 Jul 15;12(14 Pt 2):4441s-4445s.@@Yang XD, Jia XC, Corvalan JR, Wang P, Davis CG: Development of ABX-EGF, a fully human anti-EGF receptor monoclonal antibody, for cancer therapy. Crit Rev Oncol Hematol. 2001 Apr;38(1):17-23.@@Keating GM: Spotlight on panitumumab in metastatic colorectal cancer. BioDrugs. 2010 Aug 1;24(4):275-8. doi: 10.2165/11205460-000000000-00000.@@Wu M, Rivkin A, Pham T: Panitumumab: human monoclonal antibody against epidermal growth factor receptors for the treatment of metastatic colorectal cancer. Clin Ther. 2008 Jan;30(1):14-30. doi: 10.1016/j.clinthera.2008.01.014.@@Saadeh CE, Lee HS: Panitumumab: a fully human monoclonal antibody with activity in metastatic colorectal cancer. Ann Pharmacother. 2007 Apr;41(4):606-13. Epub 2007 Mar 13.@@Jean GW, Shah SR: Epidermal growth factor receptor monoclonal antibodies for the treatment of metastatic colorectal cancer. Pharmacotherapy. 2008 Jun;28(6):742-54. doi: 10.1592/phco.28.6.742.@@Keating GM: Panitumumab: a review of its use in metastatic colorectal cancer. Drugs. 2010 May 28;70(8):1059-78. doi: 10.2165/11205090-000000000-00000.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Blood Proteins"			Panitumumab Action Pathway	drug_action		20210	46505063		PA162373091	P01859	DNC000135	Panitumumab	CHEMBL1201827	263034
DB01271	Idursulfase	BE0000856	PLIN3	O60664	PLIN3_HUMAN		17139284; 17016423; 18201153; 19707363; 18038146	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Clarke LA: Idursulfase for the treatment of mucopolysaccharidosis II. Expert Opin Pharmacother. 2008 Feb;9(2):311-7. doi: 10.1517/14656566.9.2.311 .@@Burrow TA, Leslie ND: Review of the use of idursulfase in the treatment of mucopolysaccharidosis II. Biologics. 2008 Jun;2(2):311-20.@@Wraith JE, Scarpa M, Beck M, Bodamer OA, De Meirleir L, Guffon N, Meldgaard Lund A, Malm G, Van der Ploeg AT, Zeman J: Mucopolysaccharidosis type II (Hunter syndrome): a clinical review and recommendations for treatment in the era of enzyme replacement therapy. Eur J Pediatr. 2008 Mar;167(3):267-77. Epub 2007 Nov 23."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Esterases; Hydrolases; Enzymes and Coenzymes; Sulfatases; Hydrolytic Lysosomal Glycosaminoglycan-specific Enzyme; Alimentary Tract and Metabolism; Enzymes						20141	46507347		PA164749134			Idursulfase	CHEMBL1201826	644101
DB01273	Varenicline	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	partial agonist	17692720; 18288085; 17573127; 17626178; 11752352	"Nakamura M, Oshima A, Fujimoto Y, Maruyama N, Ishibashi T, Reeves KR: Efficacy and tolerability of varenicline, an alpha4beta2 nicotinic acetylcholine receptor partial agonist, in a 12-week, randomized, placebo-controlled, dose-response study with 40-week follow-up for smoking cessation in Japanese smokers. Clin Ther. 2007 Jun;29(6):1040-56.@@McColl SL, Burstein AH, Reeves KR, Billing CB Jr, Stolar M, Sellers EM: Human abuse liability of the smoking cessation drug varenicline in smokers and nonsmokers. Clin Pharmacol Ther. 2008 Apr;83(4):607-14. doi: 10.1038/sj.clpt.6100510. Epub 2008 Feb 20.@@Rollema H, Coe JW, Chambers LK, Hurst RS, Stahl SM, Williams KE: Rationale, pharmacology and clinical efficacy of partial agonists of alpha4beta2 nACh receptors for smoking cessation. Trends Pharmacol Sci. 2007 Jul;28(7):316-25. Epub 2007 Jun 18.@@Steensland P, Simms JA, Holgate J, Richards JK, Bartlett SE: Varenicline, an alpha4beta2 nicotinic acetylcholine receptor partial agonist, selectively decreases ethanol consumption and seeking. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12518-23. Epub 2007 Jul 11.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational			"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs"	C1C2CNCC1C1=C2C=C2N=CC=NC2=C1					20097	46505502		PA164781343		DAP001535	Varenicline	CHEMBL1396	591622
DB01273	Varenicline	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	agonist	16766716	"Mihalak KB, Carroll FI, Luetje CW: Varenicline is a partial agonist at alpha4beta2 and a full agonist at alpha7 neuronal nicotinic receptors. Mol Pharmacol. 2006 Sep;70(3):801-5. Epub 2006 Jun 9."	Approved; Investigational			"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs"	C1C2CNCC1C1=C2C=C2N=CC=NC2=C1					20097	46505502		PA164781343		DAP001535	Varenicline	CHEMBL1396	591622
DB01273	Varenicline	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	partial agonist	16883648	"Niaura R, Jones C, Kirkpatrick P: Varenicline. Nat Rev Drug Discov. 2006 Jul;5(7):537-8."	Approved; Investigational			"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cholinergic Agents; OCT2 Substrates; Drugs Used in Addictive Disorders; Partial Cholinergic Nicotinic Agonists; Drugs that are Mainly Renally Excreted; Cholinergic Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Smoking Cessation Agents; Quinoxalines; Cholinergic Agonists; Benzazepines; Drugs Used in Nicotine Dependence; Ophthalmologicals; Neurotransmitter Agents; Partial Cholinergic Nicotinic Agonist; Nervous System; Sensory Organs"	C1C2CNCC1C1=C2C=C2N=CC=NC2=C1					20097	46505502		PA164781343		DAP001535	Varenicline	CHEMBL1396	591622
DB01275	Hydralazine	BE0002374	HIF1A	Q16665	HIF1A_HUMAN	inducer	15192023	"Knowles HJ, Tian YM, Mole DR, Harris AL: Novel mechanism of action for hydralazine: induction of hypoxia-inducible factor-1alpha, vascular endothelial growth factor, and angiogenesis by inhibition of prolyl hydroxylases. Circ Res. 2004 Jul 23;95(2):162-9. Epub 2004 Jun 10."	Approved	Phthalazines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Phthalazines; Antihypertensive Agents; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Arteriolar Vasodilator; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Inhibitors; Pyridazines; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Direct Vasodilators; Arteriolar Vasodilation; Hydrazinophthalazine Derivatives and Diuretics; Arteriolar Smooth Muscle, Agents Acting On; Hydrazinophthalazine Derivatives"	NNC1=NN=CC2=CC=CC=C12					6436	46507533	D08044	PA449894		DAP000728	Hydralazine	CHEMBL276832	5470
DB01277	Mecasermin	BE0000858	IGF1R	P08069	IGF1R_HUMAN	agonist	19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists"						23544	46504889	D04870	PA164774876		DAP000287	Mecasermin	CHEMBL1201716	274403
DB01277	Mecasermin	BE0000033	INSR	P06213	INSR_HUMAN		19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists"						23544	46504889	D04870	PA164774876		DAP000287	Mecasermin	CHEMBL1201716	274403
DB01277	Mecasermin	BE0003623	IGF2R	P11717	MPRI_HUMAN		19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Biological Factors; Intercellular Signaling Peptides and Proteins; Somatropin and Somatropin Agonists; Hypoglycemia-Associated Agents; Growth Substances; Human Insulin-like Growth Factor Analogs; Recombinant Human Insulin-like Growth Factor-1; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Blood Proteins; Somatomedins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Pituitary and Hypothalamic Hormones and Analogues; Somatotropin Agonists"						23544	46504889	D04870	PA164774876		DAP000287	Mecasermin	CHEMBL1201716	274403
DB01278	Pramlintide	BE0000431	CALCR	P30988	CALCR_HUMAN	agonist	11772274; 19273748; 20357016; 20015292; 18593822; 15494035	"Nyholm B, Brock B, Orskov L, Schmitz O: Amylin receptor agonists: a novel pharmacological approach in the management of insulin-treated diabetes mellitus. Expert Opin Investig Drugs. 2001 Sep;10(9):1641-52.@@Roth JD, Maier H, Chen S, Roland BL: Implications of amylin receptor agonism: integrated neurohormonal mechanisms and therapeutic applications. Arch Neurol. 2009 Mar;66(3):306-10. doi: 10.1001/archneurol.2008.581.@@Lutz TA: The role of amylin in the control of energy homeostasis. Am J Physiol Regul Integr Comp Physiol. 2010 Jun;298(6):R1475-84. doi: 10.1152/ajpregu.00703.2009. Epub 2010 Mar 31.@@Qi T, Hay DL: Structure-function relationships of the N-terminus of receptor activity-modifying proteins. Br J Pharmacol. 2010 Mar;159(5):1059-68. doi: 10.1111/j.1476-5381.2009.00541.x. Epub 2009 Dec 10.@@Qi T, Christopoulos G, Bailey RJ, Christopoulos A, Sexton PM, Hay DL: Identification of N-terminal receptor activity-modifying protein residues important for calcitonin gene-related peptide, adrenomedullin, and amylin receptor function. Mol Pharmacol. 2008 Oct;74(4):1059-71. doi: 10.1124/mol.108.047142. Epub 2008 Jul 1.@@Hay DL, Christopoulos G, Christopoulos A, Sexton PM: Amylin receptors: molecular composition and pharmacology. Biochem Soc Trans. 2004 Nov;32(Pt 5):865-7."	Approved; Investigational			"Drugs Used in Diabetes; Peptide Hormones; Amylin Agonists; Hypoglycemia-Associated Agents; Amylin Analog; Amyloid; Amyloidogenic Proteins; Peptides; Pancreatic Hormones; Proteins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O						46509048	D05595	PA164781394		DCL000936	Pramlintide	CHEMBL2103758	139953
DB01278	Pramlintide	BE0000861	RAMP3	O60896	RAMP3_HUMAN	agonist	17139284; 17016423; 11772274; 19273748; 20357016; 20015292; 18593822; 15494035	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Nyholm B, Brock B, Orskov L, Schmitz O: Amylin receptor agonists: a novel pharmacological approach in the management of insulin-treated diabetes mellitus. Expert Opin Investig Drugs. 2001 Sep;10(9):1641-52.@@Roth JD, Maier H, Chen S, Roland BL: Implications of amylin receptor agonism: integrated neurohormonal mechanisms and therapeutic applications. Arch Neurol. 2009 Mar;66(3):306-10. doi: 10.1001/archneurol.2008.581.@@Lutz TA: The role of amylin in the control of energy homeostasis. Am J Physiol Regul Integr Comp Physiol. 2010 Jun;298(6):R1475-84. doi: 10.1152/ajpregu.00703.2009. Epub 2010 Mar 31.@@Qi T, Hay DL: Structure-function relationships of the N-terminus of receptor activity-modifying proteins. Br J Pharmacol. 2010 Mar;159(5):1059-68. doi: 10.1111/j.1476-5381.2009.00541.x. Epub 2009 Dec 10.@@Qi T, Christopoulos G, Bailey RJ, Christopoulos A, Sexton PM, Hay DL: Identification of N-terminal receptor activity-modifying protein residues important for calcitonin gene-related peptide, adrenomedullin, and amylin receptor function. Mol Pharmacol. 2008 Oct;74(4):1059-71. doi: 10.1124/mol.108.047142. Epub 2008 Jul 1.@@Hay DL, Christopoulos G, Christopoulos A, Sexton PM: Amylin receptors: molecular composition and pharmacology. Biochem Soc Trans. 2004 Nov;32(Pt 5):865-7."	Approved; Investigational			"Drugs Used in Diabetes; Peptide Hormones; Amylin Agonists; Hypoglycemia-Associated Agents; Amylin Analog; Amyloid; Amyloidogenic Proteins; Peptides; Pancreatic Hormones; Proteins; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O						46509048	D05595	PA164781394		DCL000936	Pramlintide	CHEMBL2103758	139953
DB01279	Galsulfase	BE0000856	PLIN3	O60664	PLIN3_HUMAN		17016423; 18709516	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@White JT, Argento Martell L, Prince WS, Boyer R, Crockett L, Cox C, Van Tuyl A, Aguilera A, Foehr E: Comparison of neutralizing antibody assays for receptor binding and enzyme activity of the enzyme replacement therapeutic Naglazyme (galsulfase). AAPS J. 2008 Sep;10(3):439-49. doi: 10.1208/s12248-008-9048-1. Epub 2008 Aug 16."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Esterases; Chondroitinsulfatases; Arylsulfatases; Hydrolases; Enzymes and Coenzymes; Sulfatases; Hydrolytic Lysosomal Glycosaminoglycan-specific Enzyme; Proteins; Chondroitinases and Chondroitin Lyases; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Enzymes"						22147	46509151		PA164746235		DAP001290	Arylsulfatase_B	CHEMBL1201822	578033
DB01280	Nelarabine	BE0000546	POLA1	P09884	DPOLA_HUMAN	inhibitor	91427; 18035189; 18473971; 12750168	"Ono K, Ohashi A, Yamamoto A, Matsukage A, Takahasi T, Saneyoshi M, Ueda T: Inhibitory effects of 9-beta-D-arabinofuranosylguanine 5'-triphosphate and 9-beta-D-arabinofuranosyladenine 5'-triphosphate on DNA polymerases from murine cells and oncornavirus. Cancer Res. 1979 Nov;39(11):4673-80.@@Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92.@@Rodriguez CO Jr, Stellrecht CM, Gandhi V: Mechanisms for T-cell selective cytotoxicity of arabinosylguanine. Blood. 2003 Sep 1;102(5):1842-8. Epub 2003 May 15."	Approved; Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues"	COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					16030	46506325	D05134	PA164752425		DAP000985	Nelarabine	CHEMBL1201112	274771
DB01280	Nelarabine	BE0000199	LIG1	P18858	DNLI1_HUMAN	inhibitor	18035189; 18473971	"Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92."	Approved; Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues"	COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					16030	46506325	D05134	PA164752425		DAP000985	Nelarabine	CHEMBL1201112	274771
DB01280	Nelarabine	BE0010216	PRIM1	P49642	PRI1_HUMAN	inhibitor	18035189; 18473971	"Buie LW, Epstein SS, Lindley CM: Nelarabine: a novel purine antimetabolite antineoplastic agent. Clin Ther. 2007 Sep;29(9):1887-99.@@Curbo S, Karlsson A: Nelarabine: a new purine analog in the treatment of hematologic malignancies. Rev Recent Clin Trials. 2006 Sep;1(3):185-92."	Approved; Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Nucleic Acid Synthesis Inhibitors; Nucleoside Metabolic Inhibitor; Nucleosides; Antimetabolites; Narrow Therapeutic Index Drugs; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents; Purine Analogues"	COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O					16030	46506325	D05134	PA164752425		DAP000985	Nelarabine	CHEMBL1201112	274771
DB01281	Abatacept	BE0000847	CD80	P33681	CD80_HUMAN	antagonist	16357751; 16932686; 16971318; 17020493; 20080922; 17212998; 16573350; 18041889; 11752352	"Kremer JM: Selective costimulation modulators: a novel approach for the treatment of rheumatoid arthritis. J Clin Rheumatol. 2005 Jun;11(3 Suppl):S55-62.@@Weyand CM, Goronzy JJ: T-cell-targeted therapies in rheumatoid arthritis. Nat Clin Pract Rheumatol. 2006 Apr;2(4):201-10.@@Scheinfeld N: Abatacept: A review of a new biologic agent for refractory rheumatoid arthritis for dermatologists. J Dermatolog Treat. 2006;17(4):229-34.@@Vincenti F, Luggen M: T cell costimulation: a rational target in the therapeutic armamentarium for autoimmune diseases and transplantation. Annu Rev Med. 2007;58:347-58.@@Maxwell LJ, Singh JA: Abatacept for rheumatoid arthritis: a Cochrane systematic review. J Rheumatol. 2010 Feb;37(2):234-45. doi: 10.3899/jrheum.091066. Epub 2010 Jan 15.@@Nogid A, Pham DQ: Role of abatacept in the management of rheumatoid arthritis. Clin Ther. 2006 Nov;28(11):1764-78.@@Hervey PS, Keam SJ: Abatacept. BioDrugs. 2006;20(1):53-61; discussion 62.@@Reynolds J, Shojania K, Marra CA: Abatacept: a novel treatment for moderate-to-severe rheumatoid arthritis. Pharmacotherapy. 2007 Dec;27(12):1693-701.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Serum Globulins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Biologics for Rheumatoid Arthritis Treatment; Immunologic Factors; Proteins; CD86-directed Antibody Interactions; CD80-directed Antibody Interactions; Disease-modifying Antirheumatic Agents; Selective Immunosuppressants; Immune Checkpoint Inhibitors; Agents reducing cytokine levels; Antineoplastic Agents, Immunological; Decreased Cytokine Activity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Selective T Cell Costimulation Modulator; Antirheumatic Agents; Blood Proteins"						15233	46509198	D03203	PA164747080		DAP000867	Abatacept	CHEMBL1201823	614391
DB01281	Abatacept	BE0000846	CD86	P42081	CD86_HUMAN	antagonist	16971318; 17020493; 16357751; 16932686; 20080922; 17212998; 16573350; 18041889; 11752352	"Scheinfeld N: Abatacept: A review of a new biologic agent for refractory rheumatoid arthritis for dermatologists. J Dermatolog Treat. 2006;17(4):229-34.@@Vincenti F, Luggen M: T cell costimulation: a rational target in the therapeutic armamentarium for autoimmune diseases and transplantation. Annu Rev Med. 2007;58:347-58.@@Kremer JM: Selective costimulation modulators: a novel approach for the treatment of rheumatoid arthritis. J Clin Rheumatol. 2005 Jun;11(3 Suppl):S55-62.@@Weyand CM, Goronzy JJ: T-cell-targeted therapies in rheumatoid arthritis. Nat Clin Pract Rheumatol. 2006 Apr;2(4):201-10.@@Maxwell LJ, Singh JA: Abatacept for rheumatoid arthritis: a Cochrane systematic review. J Rheumatol. 2010 Feb;37(2):234-45. doi: 10.3899/jrheum.091066. Epub 2010 Jan 15.@@Nogid A, Pham DQ: Role of abatacept in the management of rheumatoid arthritis. Clin Ther. 2006 Nov;28(11):1764-78.@@Hervey PS, Keam SJ: Abatacept. BioDrugs. 2006;20(1):53-61; discussion 62.@@Reynolds J, Shojania K, Marra CA: Abatacept: a novel treatment for moderate-to-severe rheumatoid arthritis. Pharmacotherapy. 2007 Dec;27(12):1693-701.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Serum Globulins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Biologics for Rheumatoid Arthritis Treatment; Immunologic Factors; Proteins; CD86-directed Antibody Interactions; CD80-directed Antibody Interactions; Disease-modifying Antirheumatic Agents; Selective Immunosuppressants; Immune Checkpoint Inhibitors; Agents reducing cytokine levels; Antineoplastic Agents, Immunological; Decreased Cytokine Activity; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Selective T Cell Costimulation Modulator; Antirheumatic Agents; Blood Proteins"						15233	46509198	D03203	PA164747080		DAP000867	Abatacept	CHEMBL1201823	614391
DB01282	Carbetocin	BE0000844	OXTR	P30559	OXYR_HUMAN	agonist	9760035; 15740719; 11752352	"Engstrom T, Barth T, Melin P, Vilhardt H: Oxytocin receptor binding and uterotonic activity of carbetocin and its metabolites following enzymatic degradation. Eur J Pharmacol. 1998 Aug 21;355(2-3):203-10.@@Gimpl G, Postina R, Fahrenholz F, Reinheimer T: Binding domains of the oxytocin receptor for the selective oxytocin receptor antagonist barusiban in comparison to the agonists oxytocin and carbetocin. Eur J Pharmacol. 2005 Mar 7;510(1-2):9-16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Hypotensive Agents; Reproductive Control Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Pharmaceutical Preparations; Uterotonic agents; Posterior Pituitary Lobe Hormones; Peptides; Pituitary Hormones, Posterior; Delayed-Action Preparations; Drug Delivery Systems; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Oxytocin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC					11460	46509009	D07229	PA164743086		DAP000269	Carbetocin	CHEMBL3301668	
DB01284	Tetracosactide	BE0000848	MC2R	Q01718	ACTHR_HUMAN	agonist	15710205; 2156274; 20562554; 11752352	"Schwerin M, Kanitz E, Tuchscherer M, Brussow KP, Nurnberg G, Otten W: Stress-related gene expression in brain and adrenal gland of porcine fetuses and neonates. Theriogenology. 2005 Mar 1;63(4):1220-34.@@Mehrabani PA, Bassett JR: Adrenocorticotropin binding sites in rat cardiac tissue. Pharmacol Biochem Behav. 1990 Jan;35(1):99-103.@@Moraes RB, Czepielewski MA, Friedman G: Cortisol variation after low-dose Cortrosyn test. Crit Care Med. 2010 Jul;38(7):1612-3. doi: 10.1097/CCM.0b013e3181da4ef1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Melanocortins; Pituitary; Amino Acids, Peptides, and Proteins; Adrenocortical Insufficiency; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Nerve Tissue Proteins; Anterior Pituitary Lobe Hormones and Analogues; Proteins; Hormones; Neuropeptides; Peptides; Pro-Opiomelanocortin; Adrenocorticotropic Hormone; Peptide Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Adrenals; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O					7516	46506301	D00284	PA164749052		DAP000284	Adrenocorticotropic_hormone_(medication)	CHEMBL2103784	2890
DB01285	Corticotropin	BE0000848	MC2R	Q01718	ACTHR_HUMAN	agonist	17636172; 16478774; 17584128; 17185906; 17223989	"Johnston H, King PJ, O'Shaughnessy PJ: Effects of ACTH and expression of the melanocortin-2 receptor in the neonatal mouse testis. Reproduction. 2007 Jun;133(6):1181-7.@@Carey LC, Su Y, Valego NK, Rose JC: Infusion of ACTH stimulates expression of adrenal ACTH receptor and steroidogenic acute regulatory protein mRNA in fetal sheep. Am J Physiol Endocrinol Metab. 2006 Aug;291(2):E214-20. Epub 2006 Feb 14.@@Hruby VJ, Cai M, Cain JP, Mayorov AV, Dedek MM, Trivedi D: Design, synthesis and biological evaluation of ligands selective for the melanocortin-3 receptor. Curr Top Med Chem. 2007;7(11):1107-19.@@Suri D, Alonso M, Weiss RE: A case of ACTH-independent bilateral macronodular adrenal hyperplasia and severe congestive heart failure. J Endocrinol Invest. 2006 Nov;29(10):940-6.@@Lin L, Hindmarsh PC, Metherell LA, Alzyoud M, Al-Ali M, Brain CE, Clark AJ, Dattani MT, Achermann JC: Severe loss-of-function mutations in the adrenocorticotropin receptor (ACTHR, MC2R) can be found in patients diagnosed with salt-losing adrenal hypoplasia. Clin Endocrinol (Oxf). 2007 Feb;66(2):205-10."	Approved; Investigational; Vet_approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Melanocortins; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Nerve Tissue Proteins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP3A4 Inducers; Proteins; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Neuropeptides; Peptides; Cytochrome P-450 CYP3A4 Substrates; Pro-Opiomelanocortin; Immunosuppressive Agents; Corticosteroids; Adrenocorticotropic Hormone; Peptide Hormones; Cytochrome P-450 CYP3A Inducers; Pituitary and Hypothalamic Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"						7527	46506307	D00146	PA449129			Adrenocorticotropic_hormone	CHEMBL1201610	376
DB01295	Bevantolol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	1358746	"Shiraishi K, Moriya M, Miyake N, Takayanagi I: Alpha 1-adrenoceptor blocking activities of bevantolol hydrochloride(NC-1400) and labetalol in rat isolated thoracic aorta--do they distinguish between subtypes? Gen Pharmacol. 1992 Sep;23(5):843-5."	Experimental	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	"Beta Blocking Agents, Selective, and Thiazides; Amines; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; Amino Alcohols; Adrenergic beta-1 Receptor Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Alcohols; Beta Blocking Agents and Thiazides; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Propanols; Beta Blocking Agents, Selective; Adrenergic beta-Antagonists; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents"	COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1		Bevantolol Action Pathway	drug_action			46506014		PA164743236		DAP000897	Bevantolol	CHEMBL314010	
DB01303	Oxtriphylline	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	12887610; 15237094; 16651698	"Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Wu BN, Lin RJ, Lo YC, Shen KP, Wang CC, Lin YT, Chen IJ: KMUP-1, a xanthine derivative, induces relaxation of guinea-pig isolated trachea: the role of the epithelium, cyclic nucleotides and K+ channels. Br J Pharmacol. 2004 Aug;142(7):1105-14. Epub 2004 Jul 5.@@Kajikawa S, Kigami D, Nakayama H, Doi K: Changes in submaxillary gland gene expression in F344 rats by multiple dosing of theophylline. Exp Anim. 2006 Apr;55(2):143-6."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates"	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O					10278	46507376	D02017	PA164748137		DAP000868	Oxtriphylline	CHEMBL1200434	20976
DB01303	Oxtriphylline	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	12421478; 12547256; 12887610; 15253881; 15351234	"Wang K, Chen JQ, Chen Z, Chen JC: Inhibition of human phosphodiesterase 4A expressed in yeast cell GL62 by theophylline, rolipram, and acetamide-45. Acta Pharmacol Sin. 2002 Nov;23(11):1013-7.@@Haider S: Cyclic AMP level and phosphodiesterase activity during 17alpha,20beta-dihydroxy-4-pregnen-3-one induction and theophylline inhibition of oocyte maturation in the catfish, Clarias batrachus. Comp Biochem Physiol A Mol Integr Physiol. 2003 Feb;134(2):267-74.@@Rickards KJ, Andrews MJ, Waterworth TH, Alexander GB, Cunningham FM: Differential effects of phosphodiesterase inhibitors on platelet activating factor (PAF)- and adenosine diphosphate (ADP)-induced equine platelet aggregation. J Vet Pharmacol Ther. 2003 Aug;26(4):277-82.@@Usta C, Sadan G, Tuncel B: The effect of the indomethacin on phosphodiesterase inhibitors mediated responses in isolated trachea preparations. Prostaglandins Leukot Essent Fatty Acids. 2004 Sep;71(3):137-41.@@Lee JM, Zemans RL, Hejazi M, Chin BB, Ladenson PW, Caturegli P: Modulation of thyroidal radioiodine uptake by theophylline. Exp Mol Pathol. 2004 Oct;77(2):116-20."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates"	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O					10278	46507376	D02017	PA164748137		DAP000868	Oxtriphylline	CHEMBL1200434	20976
DB01303	Oxtriphylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	14992338; 3588607	"Nantwi KD, Basura GJ, Goshgarian HG: Adenosine A1 receptor mRNA expression and the effects of systemic theophylline administration on respiratory function 4 months after C2 hemisection. J Spinal Cord Med. 2003 Winter;26(4):364-71.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates"	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O					10278	46507376	D02017	PA164748137		DAP000868	Oxtriphylline	CHEMBL1200434	20976
DB01303	Oxtriphylline	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	activator	15337792; 12070353	"Cosio BG, Tsaprouni L, Ito K, Jazrawi E, Adcock IM, Barnes PJ: Theophylline restores histone deacetylase activity and steroid responses in COPD macrophages. J Exp Med. 2004 Sep 6;200(5):689-95. Epub 2004 Aug 30.@@Ito K, Lim S, Caramori G, Cosio B, Chung KF, Adcock IM, Barnes PJ: A molecular mechanism of action of theophylline: Induction of histone deacetylase activity to decrease inflammatory gene expression. Proc Natl Acad Sci U S A. 2002 Jun 25;99(13):8921-6. Epub 2002 Jun 17."	Approved	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Quaternary Ammonium Compounds; Purines; Amines; Trimethyl Ammonium Compounds; Respiratory Smooth Muscle Relaxants; Anti-Asthmatic Agents; Autonomic Agents; Amino Alcohols; Cytochrome P-450 Substrates; Alcohols; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Ethanolamines; Xanthines and Adrenergics; Cytochrome P-450 CYP1A2 Substrates"	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O					10278	46507376	D02017	PA164748137		DAP000868	Oxtriphylline	CHEMBL1200434	20976
DB01306	Insulin aspart	BE0000033	INSR	P06213	INSR_HUMAN	agonist	17026485; 27512793	"Zib I, Raskin P: Novel insulin analogues and its mitogenic potential. Diabetes Obes Metab. 2006 Nov;8(6):611-20.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						20190	46507309	D04475	PA164784029		DAP001092	Insulin_aspart	CHEMBL1201496	51428
DB01306	Insulin aspart	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 20730455	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Vigneri R, Squatrito S, Sciacca L: Insulin and its analogs: actions via insulin and IGF receptors. Acta Diabetol. 2010 Dec;47(4):271-8. doi: 10.1007/s00592-010-0215-3. Epub 2010 Aug 21."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Insulins and Analogues for Injection, Fast-Acting; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						20190	46507309	D04475	PA164784029		DAP001092	Insulin_aspart	CHEMBL1201496	51428
DB01307	Insulin detemir	BE0000033	INSR	P06213	INSR_HUMAN	agonist	16570163; 10866053; 20590743; 18585815; 11752352	"Hennige AM, Sartorius T, Tschritter O, Preissl H, Fritsche A, Ruth P, Haring HU: Tissue selectivity of insulin detemir action in vivo. Diabetologia. 2006 Jun;49(6):1274-82. Epub 2006 Mar 29.@@Kurtzhals P, Schaffer L, Sorensen A, Kristensen C, Jonassen I, Schmid C, Trub T: Correlations of receptor binding and metabolic and mitogenic potencies of insulin analogs designed for clinical use. Diabetes. 2000 Jun;49(6):999-1005.@@Sorensen AR, Stidsen CE, Ribel U, Nishimura E, Sturis J, Jonassen I, Bouman SD, Kurtzhals P, Brand CL: Insulin detemir is a fully efficacious, low affinity agonist at the insulin receptor. Diabetes Obes Metab. 2010 Aug;12(8):665-73. doi: 10.1111/j.1463-1326.2010.01206.x.@@Wada T, Azegami M, Sugiyama M, Tsuneki H, Sasaoka T: Characteristics of signalling properties mediated by long-acting insulin analogue glargine and detemir in target cells of insulin. Diabetes Res Clin Pract. 2008 Sep;81(3):269-77. doi: 10.1016/j.diabres.2008.05.007. Epub 2008 Jun 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						13104	46508877	D04539	PA164746470		DAP001090	Insulin_detemir	CHEMBL2104391	139825
DB01307	Insulin detemir	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Hypoglycemia-Associated Agents; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						13104	46508877	D04539	PA164746470		DAP001090	Insulin_detemir	CHEMBL2104391	139825
DB01309	Insulin glulisine	BE0000033	INSR	P06213	INSR_HUMAN	agonist	20424816; 27512793	"Sciacca L, Cassarino MF, Genua M, Pandini G, Le Moli R, Squatrito S, Vigneri R: Insulin analogues differently activate insulin receptor isoforms and post-receptor signalling. Diabetologia. 2010 Aug;53(8):1743-53. doi: 10.1007/s00125-010-1760-6. Epub 2010 Apr 28.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Insulin Analog; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Proteins; Insulins and Analogues for Injection, Fast-Acting; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Drugs Used in Diabetes; Peptide Hormones; Hypoglycemia-Associated Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"						18938	46504450	D04540	PA164760859		DAP001093	Insulin_glulisine	CHEMBL1201613	400008
DB01309	Insulin glulisine	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Insulin Analog; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Proteins; Insulins and Analogues for Injection, Fast-Acting; Alimentary Tract and Metabolism; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Drugs Used in Diabetes; Peptide Hormones; Hypoglycemia-Associated Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"						18938	46504450	D04540	PA164760859		DAP001093	Insulin_glulisine	CHEMBL1201613	400008
DB01320	Fosphenytoin	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	15001403; 20298965; 15066664; 11752352	"Swadron SP, Rudis MI, Azimian K, Beringer P, Fort D, Orlinsky M: A comparison of phenytoin-loading techniques in the emergency department. Acad Emerg Med. 2004 Mar;11(3):244-52.@@Mantegazza M, Curia G, Biagini G, Ragsdale DS, Avoli M: Voltage-gated sodium channels as therapeutic targets in epilepsy and other neurological disorders. Lancet Neurol. 2010 Apr;9(4):413-24. doi: 10.1016/S1474-4422(10)70059-4.@@Lenkowski PW, Ko SH, Anderson JD, Brown ML, Patel MK: Block of human NaV1.5 sodium channels by novel alpha-hydroxyphenylamide analogues of phenytoin. Eur J Pharm Sci. 2004 Apr;21(5):635-44.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Sodium Channel Blockers; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; UGT1A6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Phenytoin and Prodrugs; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inducers (strong); Cytochrome P-450 CYP2C8 Substrates; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Imidazoles; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Prodrugs; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Enzyme Inducing Antiepileptic Drugs; Membrane Transport Modulators; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Thyroxine-binding globulin substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Hydantoins; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Imidazolidines; Cytochrome P-450 CYP3A Inducers; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants; Cytochrome P-450 CYP2B6 Inducers (strong)	OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1		Fosphenytoin (Antiarrhythmic) Action Pathway; Fosphenytoin (Antiarrhythmic) Metabolism Pathway	drug_metabolism; drug_action		11411	46505168	D07993	PA164746820		DAP000520	Fosphenytoin	CHEMBL1201336	72236
DB01324	Polythiazide	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	11752352; 10894798; 12217863; 19474192	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Monroy A, Plata C, Hebert SC, Gamba G: Characterization of the thiazide-sensitive Na(+)-Cl(-) cotransporter: a new model for ions and diuretics interaction. Am J Physiol Renal Physiol. 2000 Jul;279(1):F161-9.@@Frindt G, McNair T, Dahlmann A, Jacobs-Palmer E, Palmer LG: Epithelial Na channels and short-term renal response to salt deprivation. Am J Physiol Renal Physiol. 2002 Oct;283(4):F717-26.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27."	Approved	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines	"OAT3/SLC22A8 Substrates; Antihypertensive Agents; Hyperglycemia-Associated Agents; Amides; Sodium Chloride Symporter Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Sulfones; Photosensitizing Agents; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators; Heterocyclic Compounds, Fused-Ring; Diuretics; Drugs causing inadvertant photosensitivity; Natriuretic Agents; Increased Diuresis; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Benzothiadiazines; Thiazides"	CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O		Polythiazide Action Pathway	drug_action			46508633	D00657	PA164748763		DAP000751	Polythiazide	CHEMBL1587	8565
DB01325	Quinethazone	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	20528637; 19474192; 12538756; 19636250	"Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40.@@Ko B, Hoover RS: Molecular physiology of the thiazide-sensitive sodium-chloride cotransporter. Curr Opin Nephrol Hypertens. 2009 Sep;18(5):421-7. doi: 10.1097/MNH.0b013e32832f2fcb."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators"	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O		Quinethazone Action Pathway	drug_action			46507280	D00461	PA164760863		DAP000955	Quinethazone	CHEMBL1532	59743
DB01325	Quinethazone	BE0000281	SLC12A2	P55011	S12A2_HUMAN	inhibitor	20528637; 19474192; 12538756; 19636250	"Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40.@@Ko B, Hoover RS: Molecular physiology of the thiazide-sensitive sodium-chloride cotransporter. Curr Opin Nephrol Hypertens. 2009 Sep;18(5):421-7. doi: 10.1097/MNH.0b013e32832f2fcb."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators"	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O		Quinethazone Action Pathway	drug_action			46507280	D00461	PA164760863		DAP000955	Quinethazone	CHEMBL1532	59743
DB01325	Quinethazone	BE0000419	SLC12A3	P55017	S12A3_HUMAN	inhibitor	20528637; 19474192; 12538756; 19636250	"Duarte JD, Cooper-DeHoff RM: Mechanisms for blood pressure lowering and metabolic effects of thiazide and thiazide-like diuretics. Expert Rev Cardiovasc Ther. 2010 Jun;8(6):793-802. doi: 10.1586/erc.10.27.@@Gamba G: The thiazide-sensitive Na+-Cl- cotransporter: molecular biology, functional properties, and regulation by WNKs. Am J Physiol Renal Physiol. 2009 Oct;297(4):F838-48. doi: 10.1152/ajprenal.00159.2009. Epub 2009 May 27.@@Ellison DH: The thiazide-sensitive na-cl cotransporter and human disease: reemergence of an old player. J Am Soc Nephrol. 2003 Feb;14(2):538-40.@@Ko B, Hoover RS: Molecular physiology of the thiazide-sensitive sodium-chloride cotransporter. Curr Opin Nephrol Hypertens. 2009 Sep;18(5):421-7. doi: 10.1097/MNH.0b013e32832f2fcb."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators"	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O		Quinethazone Action Pathway	drug_action			46507280	D00461	PA164760863		DAP000955	Quinethazone	CHEMBL1532	59743
DB01325	Quinethazone	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	18600270; 18374572; 18336309	"Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited--old leads for new applications? Org Biomol Chem. 2008 Jul 21;6(14):2499-506. doi: 10.1039/b800767e. Epub 2008 May 29.@@Temperini C, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73. doi: 10.1016/j.bmcl.2008.03.051. Epub 2008 Mar 20.@@Supuran CT: Diuretics: from classical carbonic anhydrase inhibitors to novel applications of the sulfonamides. Curr Pharm Des. 2008;14(7):641-8."	Approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Natriuretic Agents; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfonamides; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sodium Chloride Symporter Inhibitors; Membrane Transport Modulators"	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O		Quinethazone Action Pathway	drug_action			46507280	D00461	PA164760863		DAP000955	Quinethazone	CHEMBL1532	59743
DB01327	Cefazolin	BE0003486	IL15	P40933	IL15_HUMAN	inhibitor	28535470	"Zyzynska-Granica B, Trzaskowski B, Niewieczerzal S, Filipek S, Zegrocka-Stendel O, Dutkiewicz M, Krzeczynski P, Kowalewska M, Koziak K: Pharmacophore guided discovery of small-molecule interleukin 15 inhibitors. Eur J Med Chem. 2017 Aug 18;136:543-547. doi: 10.1016/j.ejmech.2017.05.034. Epub  2017 May 12."	Approved	Cephalosporins	Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams	"beta-Lactams; Thiazines; Anti-Infective Agents; OAT3/SLC22A8 Inhibitors; Heterocyclic Compounds, Fused-Ring; Lactams; OAT3/SLC22A8 Substrates; Cephalosporins; Anti-Bacterial Agents; OAT1/SLC22A6 Substrates; Antibacterials for Systemic Use; Nephrotoxic agents; Amides; First-Generation Cephalosporins; OAT1/SLC22A6 inhibitors; Sulfur Compounds; Antiinfectives for Systemic Use"	[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O					8366	46506123	D02299	PA448839		DAP000449	Cefazolin	CHEMBL1435	2180
DB01336	Metocurine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	18633030; 18842832; 8132625; 12799358; 11752352	"Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Liu M, Dilger JP: Site selectivity of competitive antagonists for the mouse adult muscle nicotinic acetylcholine receptor. Mol Pharmacol. 2009 Jan;75(1):166-73. doi: 10.1124/mol.108.051060. Epub 2008 Oct  8.@@Groebe DR, Dumm JM, Abramson SN: Irreversible inhibition of nicotinic acetylcholine receptors by the bipinnatins. Toxin activation and kinetics of receptor inhibition. J Biol Chem. 1994 Mar 25;269(12):8885-91.@@Wang HL, Gao F, Bren N, Sine SM: Curariform antagonists bind in different orientations to the nicotinic receptor ligand binding domain. J Biol Chem. 2003 Aug 22;278(34):32284-91. Epub 2003 Jun 10.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Curare Alkaloids; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; Central Nervous System Depressants; Muscle Relaxants; Alkaloids; Tetrahydroisoquinolines; Anticholinergic Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Isoquinolines; Peripheral Nervous System Agents; Benzylisoquinolines; Muscarinic Antagonists; Neuromuscular Agents; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3						46508044		PA164749507		DAP000352	Dimethyltubocurarinium	CHEMBL1259	29950
DB01336	Metocurine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	7437219	"Son SL, Waud DR: Effects of non-depolarizing neuromuscular blocking agents on the cardiac vagus nerve in the guineapig. Br J Anaesth. 1980 Oct;52(10):981-7."	Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Curare Alkaloids; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Neuromuscular Blocking Agents; Central Nervous System Depressants; Muscle Relaxants; Alkaloids; Tetrahydroisoquinolines; Anticholinergic Agents; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Isoquinolines; Peripheral Nervous System Agents; Benzylisoquinolines; Muscarinic Antagonists; Neuromuscular Agents; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3						46508044		PA164749507		DAP000352	Dimethyltubocurarinium	CHEMBL1259	29950
DB01337	Pancuronium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17016423; 17525594; 19417616	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Dilger JP, Vidal AM, Liu M, Mettewie C, Suzuki T, Pham A, Demazumder D: Roles of amino acids and subunits in determining the inhibition of nicotinic acetylcholine receptors by competitive antagonists. Anesthesiology. 2007 Jun;106(6):1186-95.@@Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1					2497	46506118		PA450771		DAP000123	Pancuronium	CHEMBL185073	7883
DB01337	Pancuronium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	20400785; 17588565; 8572329	"Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11.@@Cembala TM, Forde SC, Appadu BL, Lambert DG: Allosteric interaction of the neuromuscular blockers vecuronium and pancuronium with recombinant human muscarinic M2 receptors. Eur J Pharmacol. 2007 Aug 13;569(1-2):37-40. Epub 2007 May 22.@@Okanlami OA, Fryer AD, Hirshman C: Interaction of nondepolarizing muscle relaxants with M2 and M3 muscarinic receptors in guinea pig lung and heart. Anesthesiology. 1996 Jan;84(1):155-61."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1					2497	46506118		PA450771		DAP000123	Pancuronium	CHEMBL185073	7883
DB01337	Pancuronium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	20400785; 8572329	"Milchert M, Spassov A, Meissner K, Nedeljkov V, Lehmann C, Wendt M, Loster BW, Mazurkiewicz-Janik M, Gedrange T, Pavlovic D: Skeletal muscle relaxants inhibit rat tracheal smooth muscle tone in vitro. J Physiol Pharmacol. 2009 Dec;60 Suppl 8:5-11.@@Okanlami OA, Fryer AD, Hirshman C: Interaction of nondepolarizing muscle relaxants with M2 and M3 muscarinic receptors in guinea pig lung and heart. Anesthesiology. 1996 Jan;84(1):155-61."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Agents producing tachycardia; Cholinergic Agents; Neuromuscular Blocking Agents; OCT1 substrates; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Muscarinic Antagonists; Neuromuscular Agents; Cholinesterase Inhibitors; Neurotransmitter Agents; OCT1 inhibitors; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1					2497	46506118		PA450771		DAP000123	Pancuronium	CHEMBL185073	7883
DB01338	Pipecuronium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	17016423; 12426786; 9227834; 1748153; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Karpati E, Biro K, Kukorelli T: [Investigation of neuromuscular blocking agents at Richter Ltd]. Acta Pharm Hung. 2002;72(1):37-48.@@Kiss JP, Windisch K, Balla A, Sershen H, Lajtha A: Dual effect of DMPP on the resting release of noradrenaline from rat hippocampal slices. Brain Res Bull. 1997;43(3):257-62.@@Torocsik A, Oberfrank F, Sershen H, Lajtha A, Nemesy K, Vizi ES: Characterization of somatodendritic neuronal nicotinic receptors located on the myenteric plexus. Eur J Pharmacol. 1991 Sep 24;202(3):297-302.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Nicotinic Antagonists; Piperazines; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1						46508493		PA164764567		DAP000353	Pipecuronium_bromide	CHEMBL1201206	33742
DB01338	Pipecuronium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	12426786; 10598601; 10592235	"Karpati E, Biro K, Kukorelli T: [Investigation of neuromuscular blocking agents at Richter Ltd]. Acta Pharm Hung. 2002;72(1):37-48.@@Zappi L, Song P, Nicosia S, Nicosia F, Rehder K: Do pipecuronium and rocuronium affect human bronchial smooth muscle? Anesthesiology. 1999 Dec;91(6):1616-21.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Nicotinic Antagonists; Piperazines; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1						46508493		PA164764567		DAP000353	Pipecuronium_bromide	CHEMBL1201206	33742
DB01338	Pipecuronium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	12426786	"Karpati E, Biro K, Kukorelli T: [Investigation of neuromuscular blocking agents at Richter Ltd]. Acta Pharm Hung. 2002;72(1):37-48."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Musculo-Skeletal System; Nicotinic Antagonists; Piperazines; Central Nervous System Depressants; Muscle Relaxants; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinesterase Inhibitors; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents; Agents producing tachycardia; Cholinergic Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1						46508493		PA164764567		DAP000353	Pipecuronium_bromide	CHEMBL1201206	33742
DB01339	Vecuronium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	19417616; 18633030; 12145052	"Jonsson Fagerlund M, Dabrowski M, Eriksson LI: Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52. doi: 10.1097/ALN.0b013e31819fade3.@@Liu M, Dilger JP: Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. doi: 10.1213/ane.0b013e31817b4469.@@Paul M, Fokt RM, Kindler CH, Dipp NC, Yost CS: Characterization of the interactions between volatile anesthetics and neuromuscular blockers at the muscle nicotinic acetylcholine receptor. Anesth Analg. 2002 Aug;95(2):362-7, table of contents."	Approved; Investigational	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Nicotinic Antagonists; Neuromuscular-Blocking Agents (Nondepolarizing); Cholinergic Agents; Neuromuscular Blocking Agents; Neuromuscular Nondepolarizing Blockade; Central Nervous System Depressants; Muscle Relaxants; Steroids; P-glycoprotein substrates; Fused-Ring Compounds; Anticholinergic Agents; Musculo-Skeletal System; Androstanols; Androstanes; Peripheral Nervous System Agents; Neuromuscular Agents; Neurotransmitter Agents; Muscle Relaxants, Peripherally Acting Agents"	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1					1777	46507656		PA164748865		DAP000354	Vecuronium_bromide	CHEMBL1201219	71535
DB01340	Cilazapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	10205231; 10398211; 10446934; 1382157; 1382161; 18423812; 11752352	"Yoshiyama M, Takeuchi K, Omura T, Kim S, Yamagishi H, Toda I, Teragaki M, Akioka K, Iwao H, Yoshikawa J: Effects of candesartan and cilazapril on rats with myocardial infarction assessed by echocardiography. Hypertension. 1999 Apr;33(4):961-8.@@Kihara M, Mitsui MK, Mitsui Y, Okuda K, Nakasaka Y, Takahashi M, Schmelzer JD: Altered vasoreactivity to angiotensin II in experimental diabetic neuropathy: role of nitric oxide. Muscle Nerve. 1999 Jul;22(7):920-5.@@Mervaala E, Dehmel B, Gross V, Lippoldt A, Bohlender J, Milia AF, Ganten D, Luft FC: Angiotensin-converting enzyme inhibition and AT1 receptor blockade modify the pressure-natriuresis relationship by additive mechanisms in rats with human renin and angiotensinogen genes. J Am Soc Nephrol. 1999 Aug;10(8):1669-80.@@Rosendorff C, Patton J, Radford HM, Kalliatakis B: Alpha-adrenergic and angiotensin II pressor sensitivity in hypertensive patients treated with an angiotensin-converting enzyme inhibitor. J Cardiovasc Pharmacol. 1992;19 Suppl 6:S105-9.@@Hannedouche T, Ikeni A, Marques LP, Natov S, Dechaux M, Schmitt F, Lacour B, Grunfeld JP: Renal effects of angiotensin II in normotensive subjects on short-term cilazapril treatment. J Cardiovasc Pharmacol. 1992;19 Suppl 6:S25-7.@@Tylicki L, Rutkowski P, Renke M, Larczynski W, Aleksandrowicz E, Lysiak-Szydlowska W, Rutkowski B: Triple pharmacological blockade of the renin-angiotensin-aldosterone system in nondiabetic CKD: an open-label crossover randomized controlled trial. Am J Kidney Dis. 2008 Sep;52(3):486-93. doi: 10.1053/j.ajkd.2008.02.297. Epub 2008 Apr 18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Hypotensive Agents; P-glycoprotein inhibitors; Protease Inhibitors; Pyridazines; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Angiotensin-Converting Enzyme Inhibitors	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O		Cilazapril Metabolism Pathway; Cilazapril Action Pathway	drug_metabolism; drug_action		951	46505231	D07699	PA164748302		DAP000912	Cilazapril	CHEMBL515606	21102
DB01345	Potassium cation	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		17334838; 17347782; 17366541; 17369284; 17444965	"Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51."	Approved; Investigational			Inhibition Large Intestine Fluid/Electrolyte Absorption; Minerals; Potassium Salt; Increased Large Intestinal Motility; Replacement Preparations; Agents causing hyperkalemia; Diuretics; Drugs that are Mainly Renally Excreted; Osmotic Activity	[K+]		Lidocaine (Antiarrhythmic) Action Pathway; Esomeprazole Action Pathway; Metolazone Action Pathway; Omeprazole Action Pathway; Nimodipine Action Pathway; Benzocaine Action Pathway; Lansoprazole Action Pathway; Famotidine Action Pathway; Alprenolol Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Pantoprazole Action Pathway; Pirenzepine Action Pathway; Rabeprazole Action Pathway; Glycolysis; Hartnup Disorder; Xanthine Dehydrogenase Deficiency (Xanthinuria); Adenylosuccinate Lyase Deficiency; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Torsemide Action Pathway; Ranitidine Action Pathway; Hydrochlorothiazide Action Pathway; Glycine N-Methyltransferase Deficiency; Hypermethioninemia; Triamterene Action Pathway; Lysinuric Protein Intolerance; Glucose Transporter Defect (SGLT2); Methyclothiazide Action Pathway; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Nisoldipine Action Pathway; Furosemide Action Pathway	disease; metabolic; drug_action		8743	46506517	D08403	PA451047			Potassium		1318915
DB01346	Quinidine barbiturate	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232; 15169831	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Stobbs SH, Ohran AJ, Lassen MB, Allison DW, Brown JE, Steffensen SC: Ethanol suppression of ventral tegmental area GABA neuron electrical transmission involves N-methyl-D-aspartate receptors. J Pharmacol Exp Ther. 2004 Oct;311(1):282-9. Epub 2004 May 28."	Approved	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids		CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C						46504552		PA164783957		DAP000915			
DB01346	Quinidine barbiturate	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	17023504; 15877619; 16138883; 16972995; 17556186; 11752352; 20685573; 9476974	"Stokoe KS, Thomas G, Goddard CA, Colledge WH, Grace AA, Huang CL: Effects of flecainide and quinidine on arrhythmogenic properties of Scn5a+/Delta murine hearts modelling long QT syndrome 3. J Physiol. 2007 Jan 1;578(Pt 1):69-84. Epub 2006 Oct 5.@@Itoh H, Shimizu M, Takata S, Mabuchi H, Imoto K: A novel missense mutation in the SCN5A gene associated with Brugada syndrome bidirectionally affecting blocking actions of antiarrhythmic drugs. J Cardiovasc Electrophysiol. 2005 May;16(5):486-93.@@Grant AO: Electrophysiological basis and genetics of Brugada syndrome. J Cardiovasc Electrophysiol. 2005 Sep;16 Suppl 1:S3-7.@@Napolitano C, Priori SG: Brugada syndrome. Orphanet J Rare Dis. 2006 Sep 14;1:35.@@Ohgo T, Okamura H, Noda T, Satomi K, Suyama K, Kurita T, Aihara N, Kamakura S, Ohe T, Shimizu W: Acute and chronic management in patients with Brugada syndrome associated with electrical storm of ventricular fibrillation. Heart Rhythm. 2007 Jun;4(6):695-700. Epub 2007 Feb 20.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Sheets MF, Fozzard HA, Lipkind GM, Hanck DA: Sodium channel molecular conformations and antiarrhythmic drug affinity. Trends Cardiovasc Med. 2010 Jan;20(1):16-21. doi: 10.1016/j.tcm.2010.03.002.@@Tella SR, Goldberg SR: Monoamine transporter and sodium channel mechanisms in the rapid pressor response to cocaine. Pharmacol Biochem Behav. 1998 Feb;59(2):305-12."	Approved	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids		CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C						46504552		PA164783957		DAP000915			
DB01346	Quinidine barbiturate	BE0000154	KCNK1	O00180	KCNK1_HUMAN	inhibitor	8605869; 9003761	"Lesage F, Guillemare E, Fink M, Duprat F, Lazdunski M, Romey G, Barhanin J: TWIK-1, a ubiquitous human weakly inward rectifying K+ channel with a novel structure. EMBO J. 1996 Mar 1;15(5):1004-11.@@Fink M, Duprat F, Lesage F, Reyes R, Romey G, Heurteaux C, Lazdunski M: Cloning, functional expression and brain localization of a novel unconventional outward rectifier K+ channel. EMBO J. 1996 Dec 16;15(24):6854-62."	Approved	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids		CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C						46504552		PA164783957		DAP000915			
DB01346	Quinidine barbiturate	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207; 15169831	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303.@@Stobbs SH, Ohran AJ, Lassen MB, Allison DW, Brown JE, Steffensen SC: Ethanol suppression of ventral tegmental area GABA neuron electrical transmission involves N-methyl-D-aspartate receptors. J Pharmacol Exp Ther. 2004 Oct;311(1):282-9. Epub 2004 May 28."	Approved	Cinchona alkaloids	Organic compounds; Alkaloids and derivatives; Cinchona alkaloids		CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C						46504552		PA164783957		DAP000915			
DB01348	Spirapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	11929321; 16126915; 20524801; 12613273; 11752352	"Song JC, White CM: Clinical pharmacokinetics and selective pharmacodynamics of new angiotensin converting enzyme inhibitors: an update. Clin Pharmacokinet. 2002;41(3):207-24.@@Maul B, Krause W, Pankow K, Becker M, Gembardt F, Alenina N, Walther T, Bader M, Siems WE: Central angiotensin II controls alcohol consumption via its AT1 receptor. FASEB J. 2005 Sep;19(11):1474-81.@@Hermida RC, Ayala DE, Fontao MJ, Mojon A, Alonso I, Fernandez JR: Administration-time-dependent effects of spirapril on ambulatory blood pressure in uncomplicated essential hypertension. Chronobiol Int. 2010 May;27(3):560-74. doi: 10.3109/07420528.2010.485411.@@Arend U, Albrecht S, Meisel E, Schmidt J: [Influence of ACE inhibitor spirapril on left ventricular hypertrophy]. Fortschr Med Orig. 2002 Dec 5;120(4):147-50.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Enzyme Inhibitors; Agents causing hyperkalemia; Oligopeptides; Agents causing angioedema; Antihypertensive Agents; Peptides; Angiotensin-Converting Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Dipeptides"	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2		Spirapril Action Pathway; Spirapril Metabolism Pathway	drug_metabolism; drug_action			46506126	D08529	PA164776913		DAP000911	Spirapril	CHEMBL431	36908
DB01351	Amobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01351	Amobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O					8253	46508165	D00555	PA448401		DAP000686	Amobarbital	CHEMBL267894	719
DB01352	Aprobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01352	Aprobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Cytochrome P-450 Enzyme Inducers; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Pyrimidines; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Psycholeptics"	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O						46504558	D00698	PA164754809		DAP001034	Aprobarbital	CHEMBL7863	17381
DB01353	Butobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01353	Butobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Approved; Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Pyrimidines; Nervous System; Psycholeptics"	CCCCC1(CC)C(=O)NC(=O)NC1=O						46508397	D02618	PA164748035		DAP000687	Butobarbital	CHEMBL404422	19874
DB01354	Heptabarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01354	Heptabarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Pyrimidinones; Anticholinergic Agents; Barbiturates, Plain; Nicotinic Antagonists; Hypnotics and Sedatives; Central Nervous System Depressants; Pyrimidines; Nervous System; Psycholeptics"	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1						46508321		PA164783812		DAP001032	Heptabarbital	CHEMBL468837	
DB01355	Hexobarbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01355	Hexobarbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anesthetics, General; Nicotinic Antagonists; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adjuvants; Anesthetics; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1						46508777	D01071	PA449875		DAP000688	Hexobarbital	CHEMBL7728	5302
DB01356	Lithium cation	BE0001065	GSK3B	P49841	GSK3B_HUMAN	inhibitor	16733521; 17628506; 19754466	"Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133."	Experimental	Homogeneous alkali metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds	Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators	[Li+]					1399	46505392		PA450243		DNC000879	Lithium	CHEMBL1234004	1546265
DB01356	Lithium cation	BE0001152	IMPA1	P29218	IMPA1_HUMAN	inhibitor	16874097; 16965760; 17068342; 17158747; 17251911; 20027624	"Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315."	Experimental	Homogeneous alkali metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds	Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators	[Li+]					1399	46505392		PA450243		DNC000879	Lithium	CHEMBL1234004	1546265
DB01356	Lithium cation	BE0000983	IMPA2	O14732	IMPA2_HUMAN	inhibitor	16841073; 17068342; 17251911	"Cryns K, Shamir A, Shapiro J, Daneels G, Goris I, Van Craenendonck H, Straetemans R, Belmaker RH, Agam G, Moechars D, Steckler T: Lack of lithium-like behavioral and molecular effects in IMPA2 knockout mice. Neuropsychopharmacology. 2007 Apr;32(4):881-91. Epub 2006 Jul 12.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24."	Experimental	Homogeneous alkali metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds	Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators	[Li+]					1399	46505392		PA450243		DNC000879	Lithium	CHEMBL1234004	1546265
DB01356	Lithium cation	BE0000831	GRIA3	P42263	GRIA3_HUMAN	potentiator	10626836	"Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6."	Experimental	Homogeneous alkali metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous alkali metal compounds	Antipsychotic Agents; Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Highest Risk QTc-Prolonging Agents; Nephrotoxic agents; Lithium Compounds; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators	[Li+]					1399	46505392		PA450243		DNC000879	Lithium	CHEMBL1234004	1546265
DB01357	Mestranol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	20497523; 20524981; 11752352	"Dulos J, Vijn P, van Doorn C, Hofstra CL, Veening-Griffioen D, de Graaf J, Dijcks FA, Boots AM: Suppression of the inflammatory response in experimental arthritis is mediated via estrogen receptor alpha but not estrogen receptor beta. Arthritis Res Ther. 2010;12(3):R101. doi: 10.1186/ar3032. Epub 2010 May 24.@@Cleuren AC, Van der Linden IK, De Visser YP, Wagenaar GT, Reitsma PH, Van Vlijmen BJ: 17alpha-Ethinylestradiol rapidly alters transcript levels of murine coagulation genes via estrogen receptor alpha. J Thromb Haemost. 2010 Aug;8(8):1838-46. doi: 10.1111/j.1538-7836.2010.03930.x. Epub 2010 May 27.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Ethinyl Estradiol; Estradiol Congeners; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Steroids; Estrogen Contraceptives; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3					7429	46507679	D00575	PA450388		DAP001014	Mestranol	CHEMBL1201151	6782
DB01363	Ephedra sinica root	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	15955613; 15189772; 12954796; 17209801; 10773193	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25.@@Rothman RB, Vu N, Partilla JS, Roth BL, Hufeisen SJ, Compton-Toth BA, Birkes J, Young R, Glennon RA: In vitro characterization of ephedrine-related stereoisomers at biogenic amine transporters and the receptorome reveals selective actions as norepinephrine transporter substrates. J Pharmacol Exp Ther. 2003 Oct;307(1):138-45. Epub 2003 Sep 3.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Haughey HM, Brown JM, Wilkins DG, Hanson GR, Fleckenstein AE: Differential effects of methamphetamine on Na(+)/Cl(-)-dependent transporters. Brain Res. 2000 Apr 28;863(1-2):59-65."	Nutraceutical			"Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"						8944	46504840		PA164777031			Ephedra		1724424
DB01363	Ephedra sinica root	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	15189772; 15955613; 12954796; 17209801; 10773193	"Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25.@@Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Rothman RB, Vu N, Partilla JS, Roth BL, Hufeisen SJ, Compton-Toth BA, Birkes J, Young R, Glennon RA: In vitro characterization of ephedrine-related stereoisomers at biogenic amine transporters and the receptorome reveals selective actions as norepinephrine transporter substrates. J Pharmacol Exp Ther. 2003 Oct;307(1):138-45. Epub 2003 Sep 3.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Haughey HM, Brown JM, Wilkins DG, Hanson GR, Fleckenstein AE: Differential effects of methamphetamine on Na(+)/Cl(-)-dependent transporters. Brain Res. 2000 Apr 28;863(1-2):59-65."	Nutraceutical			"Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"						8944	46504840		PA164777031			Ephedra		1724424
DB01363	Ephedra sinica root	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	15955613; 10799660	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Ulus IH, Maher TJ, Wurtman RJ: Characterization of phentermine and related compounds as monoamine oxidase (MAO) inhibitors. Biochem Pharmacol. 2000 Jun 15;59(12):1611-21."	Nutraceutical			"Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"						8944	46504840		PA164777031			Ephedra		1724424
DB01363	Ephedra sinica root	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	negative modulator	15189772; 17209801	"Wee S, Ordway GA, Woolverton WL: Reinforcing effect of pseudoephedrine isomers and the mechanism of action. Eur J Pharmacol. 2004 Jun 16;493(1-3):117-25.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Nutraceutical			"Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"						8944	46504840		PA164777031			Ephedra		1724424
DB01363	Ephedra sinica root	BE0004674	SLC18A1	P54219	VMAT1_HUMAN	inhibitor	15955613; 9587917; 17209801	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Nutraceutical			"Adrenergic beta-Agonists; Adrenergic alpha-Agonists; Hyperglycemia-Associated Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Gnetophyta; Cycadopsida; Streptophyta; Drugs, Chinese Herbal; Plant Preparations; Viridiplantae; Herbs and Natural Products; Adrenergic Agonists; Complex Mixtures; Sympathomimetic (Adrenergic) Agents; Embryophyta; Agents that produce hypertension; Ephedra; Biological Products; Alpha-and Beta-adrenergic Agonists; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Adrenergic beta-2 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"						8944	46504840		PA164777031			Ephedra		1724424
DB01364	Ephedrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17405867; 12557268; 10592235; 31613441	"Ma G, Bavadekar SA, Davis YM, Lalchandani SG, Nagmani R, Schaneberg BT, Khan IA, Feller DR: Pharmacological effects of ephedrine alkaloids on human alpha(1)- and alpha(2)-adrenergic receptor subtypes. J Pharmacol Exp Ther. 2007 Jul;322(1):214-21. Epub 2007 Apr 3.@@Wellman PJ, Miller DK, Ho DH: Noradrenergic modulation of ephedrine-induced hypophagia. Synapse. 2003 Apr;48(1):18-24.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Statler AK, Maani CV, Kohli A: Ephedrine ."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergics for Systemic Use; Agents producing tachycardia; Autonomic Agents; Central Nervous System Stimulants; Epinephrine and similars; Centrally Acting Antiobesity Products; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Alimentary Tract and Metabolism; Herbs and Natural Products; Adrenergic Agonists; Mydriatics and Cycloplegics; Sympathomimetic (Adrenergic) Agents; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Increased Norepinephrine Activity; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cholinesterase substrates; Sympathomimetics Excl. Antiglaucoma Preparations; Neurotransmitter Agents; Sympathomimetics, Plain; Ethylamines; Adrenergic Agents; Sensory Organs"	CN[C@@H](C)[C@H](O)C1=CC=CC=C1					8944	46507538	D00124	PA449466		DAP000228	Ephedrine	CHEMBL211456	3966
DB01364	Ephedrine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inverse agonist	14570629; 12757963; 17209801; 15955613	"Kobayashi S, Endou M, Sakuraya F, Matsuda N, Zhang XH, Azuma M, Echigo N, Kemmotsu O, Hattori Y, Gando S: The sympathomimetic actions of l-ephedrine and d-pseudoephedrine: direct receptor activation or norepinephrine release? Anesth Analg. 2003 Nov;97(5):1239-45.@@McMahon LR, Cunningham KA: Discriminative stimulus effects of (-)-ephedrine in rats: analysis with catecholamine transporter and receptor ligands. Drug Alcohol Depend. 2003 Jun 5;70(3):255-64.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergics for Systemic Use; Agents producing tachycardia; Autonomic Agents; Central Nervous System Stimulants; Epinephrine and similars; Centrally Acting Antiobesity Products; Amino Alcohols; Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Alcohols; Vasoconstrictor Agents; Drugs for Obstructive Airway Diseases; Nasal Preparations; Alimentary Tract and Metabolism; Herbs and Natural Products; Adrenergic Agonists; Mydriatics and Cycloplegics; Sympathomimetic (Adrenergic) Agents; Antiobesity Preparations, Excl. Diet Products; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Peripheral Nervous System Agents; Norepinephrine Releasing Agents; Increased Norepinephrine Activity; Alpha-and Beta-adrenergic Agonists; Propanolamines; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cholinesterase substrates; Sympathomimetics Excl. Antiglaucoma Preparations; Neurotransmitter Agents; Sympathomimetics, Plain; Ethylamines; Adrenergic Agents; Sensory Organs"	CN[C@@H](C)[C@H](O)C1=CC=CC=C1					8944	46507538	D00124	PA449466		DAP000228	Ephedrine	CHEMBL211456	3966
DB01367	Rasagiline	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	19673610; 19499843; 12043833; 20624440; 20600573; 15573406; 20517484; 18035186; 11752352	"Naoi M, Maruyama W: Functional mechanism of neuroprotection by inhibitors of type B monoamine oxidase in Parkinson's disease. Expert Rev Neurother. 2009 Aug;9(8):1233-50. doi: 10.1586/ern.09.68.@@Uzun M, Alp R, Uzlu E, Alp S, Citil M, Topcu B, Erdogan HM: Investigation of oral selegiline and rasagiline administration on QT interval in conscious rabbits. Eur Rev Med Pharmacol Sci. 2009 Mar-Apr;13(2):95-8.@@Youdim MB, Weinstock M: Molecular basis of neuroprotective activities of rasagiline and the anti-Alzheimer drug TV3326 [(N-propargyl-(3R)aminoindan-5-YL)-ethyl methyl carbamate]. Cell Mol Neurobiol. 2001 Dec;21(6):555-73.@@Chau KY, Cooper JM, Schapira AH: Rasagiline protects against alpha-synuclein induced sensitivity to oxidative stress in dopaminergic cells. Neurochem Int. 2010 Nov;57(5):525-9. doi: 10.1016/j.neuint.2010.06.017. Epub 2010 Jul 17.@@Weinreb O, Amit T, Bar-Am O, Youdim MB: Rasagiline: a novel anti-Parkinsonian monoamine oxidase-B inhibitor with neuroprotective activity. Prog Neurobiol. 2010 Nov;92(3):330-44. doi: 10.1016/j.pneurobio.2010.06.008. Epub 2010 Jun 19.@@Youdim MB, Bar Am O, Yogev-Falach M, Weinreb O, Maruyama W, Naoi M, Amit T: Rasagiline: neurodegeneration, neuroprotection, and mitochondrial permeability transition. J Neurosci Res. 2005 Jan 1-15;79(1-2):172-9.@@Leegwater-Kim J, Bortan E: The role of rasagiline in the treatment of Parkinson's disease. Clin Interv Aging. 2010 May 25;5:149-56.@@Chen JJ, Swope DM, Dashtipour K: Comprehensive review of rasagiline, a second-generation monoamine oxidase inhibitor, for the treatment of Parkinson's disease. Clin Ther. 2007 Sep;29(9):1825-49.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Indanes	Organic compounds; Benzenoids; Indanes	"Enzyme Inhibitors; Protective Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Monoamine Oxidase B Inhibitors; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Indenes; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Anti-Parkinson Drugs; Agents that reduce seizure threshold; Agents that produce hypertension; Compounds used in a research, industrial, or household setting; Serotonin Agents; Monoamine Oxidase Inhibitors; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Neuroprotective Agents"	C#CCN[C@@H]1CCC2=CC=CC=C12					19840	46506045	D08469	PA164764584		DAP001107	Rasagiline	CHEMBL887	134748
DB01367	Rasagiline	BE0000246	BCL2	P10415	BCL2_HUMAN	activator	12043833; 12057839; 12200198; 14555244; 16148027	"Youdim MB, Weinstock M: Molecular basis of neuroprotective activities of rasagiline and the anti-Alzheimer drug TV3326 [(N-propargyl-(3R)aminoindan-5-YL)-ethyl methyl carbamate]. Cell Mol Neurobiol. 2001 Dec;21(6):555-73.@@Akao Y, Maruyama W, Yi H, Shamoto-Nagai M, Youdim MB, Naoi M: An anti-Parkinson's disease drug, N-propargyl-1(R)-aminoindan (rasagiline), enhances expression of anti-apoptotic bcl-2 in human dopaminergic SH-SY5Y cells. Neurosci Lett. 2002 Jun 28;326(2):105-8.@@Maruyama W, Akao Y, Carrillo MC, Kitani K, Youdium MB, Naoi M: Neuroprotection by propargylamines in Parkinson's disease: suppression of apoptosis and induction of prosurvival genes. Neurotoxicol Teratol. 2002 Sep-Oct;24(5):675-82.@@Youdim MB, Amit T, Falach-Yogev M, Bar Am O, Maruyama W, Naoi M: The essentiality of Bcl-2, PKC and proteasome-ubiquitin complex activations in the neuroprotective-antiapoptotic action of the anti-Parkinson drug, rasagiline. Biochem Pharmacol. 2003 Oct 15;66(8):1635-41.@@Bar-Am O, Weinreb O, Amit T, Youdim MB: Regulation of Bcl-2 family proteins, neurotrophic factors, and APP processing in the neurorescue activity of propargylamine. FASEB J. 2005 Nov;19(13):1899-901. Epub 2005 Sep 7."	Approved	Indanes	Organic compounds; Benzenoids; Indanes	"Enzyme Inhibitors; Protective Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Monoamine Oxidase B Inhibitors; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Indenes; Drugs that are Mainly Renally Excreted; Serotonin Modulators; Anti-Parkinson Drugs; Agents that reduce seizure threshold; Agents that produce hypertension; Compounds used in a research, industrial, or household setting; Serotonin Agents; Monoamine Oxidase Inhibitors; Central Nervous System Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents; Neuroprotective Agents"	C#CCN[C@@H]1CCC2=CC=CC=C12					19840	46506045	D08469	PA164764584		DAP001107	Rasagiline	CHEMBL887	134748
DB01370	Aluminium	BE0001091	KLK1	P06870	KLK1_HUMAN	inhibitor	15558947	"De Sousa MO, Santoro MM, De Souza Figueiredo AF: The effect of cations on the amidase activity of human tissue kallikrein: 1-linear competitive inhibition by sodium, potassium, calcium and magnesium. 2-linear mixed inhibition by aluminium. J Enzyme Inhib Med Chem. 2004 Aug;19(4):317-25."	Approved; Investigational	Homogeneous post-transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous post-transition metal compounds	"Metals; Aluminum and magnesium containing antacids; Metal divalent cations; Elements; Gastric Acid Lowering Agents; Aluminium Compounds; Metal cations; Antacids; Metals, Light"	[Al]					10033	46504765		PA164760864		DAP000467	Aluminium		1311504
DB01370	Aluminium	BE0003392	APP	P05067	A4_HUMAN		16942756	"Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30."	Approved; Investigational	Homogeneous post-transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous post-transition metal compounds	"Metals; Aluminum and magnesium containing antacids; Metal divalent cations; Elements; Gastric Acid Lowering Agents; Aluminium Compounds; Metal cations; Antacids; Metals, Light"	[Al]					10033	46504765		PA164760864		DAP000467	Aluminium		1311504
DB01370	Aluminium	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	binder	11509182; 14507470; 15111247; 15254985; 15651920; 11752352	"Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Homogeneous post-transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous post-transition metal compounds	"Metals; Aluminum and magnesium containing antacids; Metal divalent cations; Elements; Gastric Acid Lowering Agents; Aluminium Compounds; Metal cations; Antacids; Metals, Light"	[Al]					10033	46504765		PA164760864		DAP000467	Aluminium		1311504
DB01373	Calcium	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	ligand	21303162	"Boda D, Giri J, Henderson D, Eisenberg B, Gillespie D: Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method. J Chem Phys. 2011 Feb 7;134(5):055102. doi: 10.1063/1.3532937."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0000218	ATP2C1	P98194	AT2C1_HUMAN	agonist	9787799; 20573858	"Shi X, Chen M, Huvos PE, Hardwicke PM: Amino acid sequence of a Ca(2+)-transporting ATPase from the sarcoplasmic reticulum of the cross-striated part of the adductor muscle of the deep sea scallop: comparison to serca enzymes of other animals. Comp Biochem Physiol B Biochem Mol Biol. 1998 Jun;120(2):359-74.@@Bonza MC, Martin H, Kang M, Lewis G, Greiner T, Giacometti S, Van Etten JL, De Michelis MI, Thiel G, Moroni A: A functional calcium-transporting ATPase encoded by chlorella viruses. J Gen Virol. 2010 Oct;91(Pt 10):2620-9. doi: 10.1099/vir.0.021873-0. Epub 2010 Jun 23."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0004593	SPTBN1	Q01082	SPTB2_HUMAN	agonist	1537825	"Wallis CJ, Wenegieme EF, Babitch JA: Characterization of calcium binding to brain spectrin. J Biol Chem. 1992 Mar 5;267(7):4333-7."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0000904	CAST	P20810	ICAL_HUMAN		17543955; 17570336	"Hanna RA, Garcia-Diaz BE, Davies PL: Calpastatin simultaneously binds four calpains with different kinetic constants. FEBS Lett. 2007 Jun 26;581(16):2894-8. Epub 2007 May 25.@@De Tullio R, Averna M, Stifanese R, Parr T, Bardsley RG, Pontremoli S, Melloni E: Multiple rat brain calpastatin forms are produced by distinct starting points and alternative splicing of the N-terminal exons. Arch Biochem Biophys. 2007 Sep 1;465(1):148-56. Epub 2007 May 30."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0001140	CP	P00450	CERU_HUMAN		17242517	"Bento I, Peixoto C, Zaitsev VN, Lindley PF: Ceruloplasmin revisited: structural and functional roles of various metal cation-binding sites. Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):240-8. Epub 2007 Jan 16."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0009000	BMP4	P12644	BMP4_HUMAN		18369157	"Yao Y, Shahbazian A, Bostrom KI: Proline and gamma-carboxylated glutamate residues in matrix Gla protein are critical for binding of bone morphogenetic protein-4. Circ Res. 2008 May 9;102(9):1065-74. doi: 10.1161/CIRCRESAHA.107.166124. Epub 2008 Mar 27."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0005814	PCDH19	Q8TAB3	PCD19_HUMAN		18469813	"Dibbens LM, Tarpey PS, Hynes K, Bayly MA, Scheffer IE, Smith R, Bomar J, Sutton E, Vandeleur L, Shoubridge C, Edkins S, Turner SJ, Stevens C, O'Meara S, Tofts C, Barthorpe S, Buck G, Cole J, Halliday K, Jones D, Lee R, Madison M, Mironenko T, Varian J, West S, Widaa S, Wray P, Teague J, Dicks E, Butler A, Menzies A, Jenkinson A, Shepherd R, Gusella JF, Afawi Z, Mazarib A, Neufeld MY, Kivity S, Lev D, Lerman-Sagie T, Korczyn AD, Derry CP, Sutherland GR, Friend K, Shaw M, Corbett M, Kim HG, Geschwind DH, Thomas P, Haan E, Ryan S, McKee S, Berkovic SF, Futreal PA, Stratton MR, Mulley JC, Gecz J: X-linked protocadherin 19 mutations cause female-limited epilepsy and cognitive impairment. Nat Genet. 2008 Jun;40(6):776-81. doi: 10.1038/ng.149. Epub 2008 May 11."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0005812	PDCD6	O75340	PDCD6_HUMAN		18997320	"Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01375	Aluminium monostearate	BE0002468	VDAC1	P21796	VDAC1_HUMAN	inhibitor	2469483; 1694685	"Zhang DW, Colombini M: Inhibition by aluminum hydroxide of the voltage-dependent closure of the mitochondrial channel, VDAC. Biochim Biophys Acta. 1989 Apr 25;991(1):68-78.@@Zhang DW, Colombini M: Group IIIA-metal hydroxides indirectly neutralize the voltage sensor of the voltage-dependent mitochondrial channel, VDAC, by interacting with a dynamic binding site. Biochim Biophys Acta. 1990 Jun 27;1025(2):127-34."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O						46505934	D01867	PA164746763		DAP000798	Aluminium_monostearate	CHEMBL3185220	
DB01375	Aluminium monostearate	BE0002470	VDAC3	Q9Y277	VDAC3_HUMAN	inhibitor	2469483; 1694685	"Zhang DW, Colombini M: Inhibition by aluminum hydroxide of the voltage-dependent closure of the mitochondrial channel, VDAC. Biochim Biophys Acta. 1989 Apr 25;991(1):68-78.@@Zhang DW, Colombini M: Group IIIA-metal hydroxides indirectly neutralize the voltage sensor of the voltage-dependent mitochondrial channel, VDAC, by interacting with a dynamic binding site. Biochim Biophys Acta. 1990 Jun 27;1025(2):127-34."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O						46505934	D01867	PA164746763		DAP000798	Aluminium_monostearate	CHEMBL3185220	
DB01378	Magnesium cation	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		16808357; 16928192; 16990961; 17294093	"Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202."	Approved; Nutraceutical	Homogeneous alkaline earth metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous alkaline earth metal compounds	"Inhibition Large Intestine Fluid/Electrolyte Absorption; Minerals; Calculi Dissolution Agent; Polyvalent cation containing laxatives, antacids, oral supplements; Increased Large Intestinal Motility; Agents that produce neuromuscular block (indirect); Osmotic Laxatives; Laxatives; Inhibition Small Intestine Fluid/Electrolyte Absorption; Magnesium Ion Exchange Activity; Osmotic Activity; Stimulation Large Intestine Fluid/Electrolyte Secretion"	[Mg++]		Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; Arachidonic Acid Metabolism; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Oxaprozin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Fructose and Mannose Degradation; Phenylacetate Metabolism; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Amino Sugar Metabolism; Naproxen Action Pathway; Glycolysis; Sphingolipid Metabolism; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Glutaric Aciduria Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Ketorolac Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Acetylsalicylic Acid Action Pathway; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Folate Metabolism; Adenylosuccinate Lyase Deficiency	disease; metabolic; drug_action		6487	46508750		PA164712884		DCL000876	Magnesium		1426853
DB01380	Cortisone acetate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16891588; 16895953; 16980198; 17038445; 17086345; 7062741; 7054210	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404.@@Schlechte JA, Ginsberg BH, Sherman BM: Regulation of the glucocorticoid receptor in human lymphocytes. J Steroid Biochem. 1982 Jan;16(1):69-74.@@Schlechte JA, Sherman BM: Decreased glucocorticoid receptor binding in adrenal insufficiency. J Clin Endocrinol Metab. 1982 Jan;54(1):145-9."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7530	46508852	D00973	PA449130			Cortisone_acetate	CHEMBL1650	21655
DB01380	Cortisone acetate	BE0000422	ANXA1	P04083	ANXA1_HUMAN	inducer	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; Pregnanes; OAT3/SLC22A8 Substrates; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Adrenals; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7530	46508852	D00973	PA449130			Cortisone_acetate	CHEMBL1650	21655
DB01381	Ginkgo biloba	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	19427589	"Fehske CJ, Leuner K, Muller WE: Ginkgo biloba extract (EGb761) influences monoaminergic neurotransmission via inhibition of NE uptake, but not MAO activity after chronic treatment. Pharmacol Res. 2009 Jul;60(1):68-73. doi: 10.1016/j.phrs.2009.02.012. Epub 2009 Mar 21."	Approved; Investigational; Nutraceutical			Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)						1522	46508832		PA449758			Ginkgo_biloba		236809
DB01381	Ginkgo biloba	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN	inhibitor	10418340; 10619176; 16651744	"Kim HK, Son KH, Chang HW, Kang SS, Kim HP: Inhibition of rat adjuvant-induced arthritis by ginkgetin, a biflavone from ginkgo biloba leaves. Planta Med. 1999 Jun;65(5):465-7.@@Weichel O, Hilgert M, Chatterjee SS, Lehr M, Klein J: Bilobalide, a constituent of Ginkgo biloba, inhibits NMDA-induced phospholipase A2 activation and phospholipid breakdown in rat hippocampus. Naunyn Schmiedebergs Arch Pharmacol. 1999 Dec;360(6):609-15.@@Lim H, Son KH, Chang HW, Kang SS, Kim HP: Effects of anti-inflammatory biflavonoid, ginkgetin, on chronic skin inflammation. Biol Pharm Bull. 2006 May;29(5):1046-9."	Approved; Investigational; Nutraceutical			Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)						1522	46508832		PA449758			Ginkgo_biloba		236809
DB01381	Ginkgo biloba	BE0000433	GLRA1	P23415	GLRA1_HUMAN	antagonist	18221374	"Heads JA, Hawthorne RL, Lynagh T, Lynch JW: Structure-activity analysis of ginkgolide binding in the glycine receptor pore. J Neurochem. 2008 May;105(4):1418-27. doi: 10.1111/j.1471-4159.2008.05244.x. Epub 2008 Jan 21."	Approved; Investigational; Nutraceutical			Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)						1522	46508832		PA449758			Ginkgo_biloba		236809
DB01381	Ginkgo biloba	BE0002346	GABRB2	P47870	GBRB2_HUMAN	negative modulator	12824018	"Hanrahan JR, Chebib M, Davucheron NL, Hall BJ, Johnston GA: Semisynthetic preparation of amentoflavone: A negative modulator at GABA(A) receptors. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2281-4."	Approved; Investigational; Nutraceutical			Cytochrome P-450 CYP3A4 Inhibitors (weak); Anti-Dementia Drugs; Ginkgolides; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Blood Circulation; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Streptophyta; Cytochrome P-450 CYP3A4 Inhibitors; Plant Preparations; Viridiplantae; Complex Mixtures; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Embryophyta; Biological Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Tracheophyta; Cholinesterase Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)						1522	46508832		PA449758			Ginkgo_biloba		236809
DB01382	Glymidine	BE0000207	ABCC8	Q09428	ABCC8_HUMAN	inducer	12031979; 12107069; 12145099; 12213059; 12213829; 9990013	"Dabrowski M, Ashcroft FM, Ashfield R, Lebrun P, Pirotte B, Egebjerg J, Bondo Hansen J, Wahl P: The novel diazoxide analog 3-isopropylamino-7-methoxy-4H-1,2,4-benzothiadiazine 1,1-dioxide is a selective Kir6.2/SUR1 channel opener. Diabetes. 2002 Jun;51(6):1896-906.@@Hambrock A, Preisig-Muller R, Russ U, Piehl A, Hanley PJ, Ray J, Daut J, Quast U, Derst C: Four novel splice variants of sulfonylurea receptor 1. Am J Physiol Cell Physiol. 2002 Aug;283(2):C587-98.@@Hambrock A, Loffler-Walz C, Quast U: Glibenclamide binding to sulphonylurea receptor subtypes: dependence on adenine nucleotides. Br J Pharmacol. 2002 Aug;136(7):995-1004.@@Nielsen FE, Bodvarsdottir TB, Worsaae A, MacKay P, Stidsen CE, Boonen HC, Pridal L, Arkhammar PO, Wahl P, Ynddal L, Junager F, Dragsted N, Tagmose TM, Mogensen JP, Koch A, Treppendahl SP, Hansen JB: 6-Chloro-3-alkylamino-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide derivatives potently and selectively activate ATP sensitive potassium channels of pancreatic beta-cells. J Med Chem. 2002 Sep 12;45(19):4171-87.@@Babenko AP, Bryan J: SUR-dependent modulation of KATP channels by an N-terminal KIR6.2 peptide. Defining intersubunit gating interactions. J Biol Chem. 2002 Nov 15;277(46):43997-4004. Epub 2002 Sep 3.@@Ueda K, Komine J, Matsuo M, Seino S, Amachi T: Cooperative binding of ATP and MgADP in the sulfonylurea receptor is modulated by glibenclamide. Proc Natl Acad Sci U S A. 1999 Feb 16;96(4):1268-72."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Drugs Used in Diabetes; Oral Hypoglycemics; Sulfones; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1						46507076		PA164748839		DAP000921	Glycodiazine	CHEMBL1697838	102848
DB01384	Paramethasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16255837; 16891588; 16895953; 16980198; 17038445; 17086345	"Fitzgerald P, O'Brien SM, Scully P, Rijkers K, Scott LV, Dinan TG: Cutaneous glucocorticoid receptor sensitivity and pro-inflammatory cytokine levels in antidepressant-resistant depression. Psychol Med. 2006 Jan;36(1):37-43. Epub 2005 Oct 28.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Experimental	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnanes; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Steroids; Pregnadienetriols; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Corticosteroids for Systemic Use; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C						46504651	D07464	PA164777035		DAP000422	Paramethasone	CHEMBL1579	7910
DB01388	Mibefradil	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	11752352; 16899990; 10692398; 9375939; 9481612; 15562257	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Monteil A, Chemin J, Bourinet E, Mennessier G, Lory P, Nargeot J: Molecular and functional properties of the human alpha(1G) subunit that forms T-type calcium channels. J Biol Chem. 2000 Mar 3;275(9):6090-100.@@Massie BM: Mibefradil: a selective T-type calcium antagonist. Am J Cardiol. 1997 Nov 6;80(9A):23I-32I.@@Clozel JP, Ertel EA, Ertel SI: Discovery and main pharmacological properties of mibefradil (Ro 40-5967), the first selective T-type calcium channel blocker. J Hypertens Suppl. 1997 Dec;15(5):S17-25.@@McNulty MM, Hanck DA: State-dependent mibefradil block of Na+ channels. Mol Pharmacol. 2004 Dec;66(6):1652-61."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	16306443; 16899990; 10372226; 10665814	"Moosmang S, Haider N, Bruderl B, Welling A, Hofmann F: Antihypertensive effects of the putative T-type calcium channel antagonist mibefradil are mediated by the L-type calcium channel Cav1.2. Circ Res. 2006 Jan 6;98(1):105-10. Epub 2005 Nov 23.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	10372226; 10665814; 16899990	"Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0002357	CACNA1F	O60840	CAC1F_HUMAN	inhibitor	10372226; 10665814; 16899990	"Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	9375939; 9481612; 15562257; 16899990	"Massie BM: Mibefradil: a selective T-type calcium antagonist. Am J Cardiol. 1997 Nov 6;80(9A):23I-32I.@@Clozel JP, Ertel EA, Ertel SI: Discovery and main pharmacological properties of mibefradil (Ro 40-5967), the first selective T-type calcium channel blocker. J Hypertens Suppl. 1997 Dec;15(5):S17-25.@@McNulty MM, Hanck DA: State-dependent mibefradil block of Na+ channels. Mol Pharmacol. 2004 Dec;66(6):1652-61.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	16899990; 10372226; 10665814	"Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01388	Mibefradil	BE0002356	CACNB4	O00305	CACB4_HUMAN	inhibitor	16899990; 10372226; 10665814	"Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01392	Yohimbine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	partial agonist	10611634; 20036429	"Millan MJ, Newman-Tancredi A, Audinot V, Cussac D, Lejeune F, Nicolas JP, Coge F, Galizzi JP, Boutin JA, Rivet JM, Dekeyne A, Gobert A: Agonist and antagonist actions of yohimbine as compared to fluparoxan at alpha(2)-adrenergic receptors (AR)s, serotonin (5-HT)(1A), 5-HT(1B), 5-HT(1D) and dopamine D(2) and D(3) receptors. Significance for the modulation of frontocortical monoaminergic transmission and depressive states. Synapse. 2000 Feb;35(2):79-95.@@Holmes A, Quirk GJ: Pharmacological facilitation of fear extinction and the search for adjunct treatments for anxiety disorders--the case of yohimbine. Trends Pharmacol Sci. 2010 Jan;31(1):2-7. doi: 10.1016/j.tips.2009.10.003. Epub 2009 Dec 28."	Approved; Investigational; Vet_approved	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction"	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2					6681	46504602		PA451946		DAP000087	Yohimbine	CHEMBL15245	220982
DB01392	Yohimbine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	10611634	"Millan MJ, Newman-Tancredi A, Audinot V, Cussac D, Lejeune F, Nicolas JP, Coge F, Galizzi JP, Boutin JA, Rivet JM, Dekeyne A, Gobert A: Agonist and antagonist actions of yohimbine as compared to fluparoxan at alpha(2)-adrenergic receptors (AR)s, serotonin (5-HT)(1A), 5-HT(1B), 5-HT(1D) and dopamine D(2) and D(3) receptors. Significance for the modulation of frontocortical monoaminergic transmission and depressive states. Synapse. 2000 Feb;35(2):79-95."	Approved; Investigational; Vet_approved	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction"	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2					6681	46504602		PA451946		DAP000087	Yohimbine	CHEMBL15245	220982
DB01392	Yohimbine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	10611634	"Millan MJ, Newman-Tancredi A, Audinot V, Cussac D, Lejeune F, Nicolas JP, Coge F, Galizzi JP, Boutin JA, Rivet JM, Dekeyne A, Gobert A: Agonist and antagonist actions of yohimbine as compared to fluparoxan at alpha(2)-adrenergic receptors (AR)s, serotonin (5-HT)(1A), 5-HT(1B), 5-HT(1D) and dopamine D(2) and D(3) receptors. Significance for the modulation of frontocortical monoaminergic transmission and depressive states. Synapse. 2000 Feb;35(2):79-95."	Approved; Investigational; Vet_approved	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction"	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2					6681	46504602		PA451946		DAP000087	Yohimbine	CHEMBL15245	220982
DB01392	Yohimbine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	8032658; 6136920; 20036429	"Baxter GS, Murphy OE, Blackburn TP: Further characterization of 5-hydroxytryptamine receptors (putative 5-HT2B) in rat stomach fundus longitudinal muscle. Br J Pharmacol. 1994 May;112(1):323-31.@@Kaumann AJ: Yohimbine and rauwolscine inhibit 5-hydroxytryptamine-induced contraction of large coronary arteries of calf through blockade of 5 HT2 receptors. Naunyn Schmiedebergs Arch Pharmacol. 1983 Jun;323(2):149-54.@@Holmes A, Quirk GJ: Pharmacological facilitation of fear extinction and the search for adjunct treatments for anxiety disorders--the case of yohimbine. Trends Pharmacol Sci. 2010 Jan;31(1):2-7. doi: 10.1016/j.tips.2009.10.003. Epub 2009 Dec 28."	Approved; Investigational; Vet_approved	Yohimbine alkaloids	Organic compounds; Alkaloids and derivatives; Yohimbine alkaloids	"Serotonin 5-HT2A Receptor Antagonists; Adrenergic alpha-2 Receptor Antagonists; Indolizidines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Indoles; Autonomic Agents; Antidepressive Agents; Urological Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT1D Receptor Antagonists; Alkaloids; Genito Urinary System and Sex Hormones; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Adrenergic Antagonists; Mydriatics; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Serotonin Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Other Miscellaneous Therapeutic Agents; Adrenergic Agents; Indolizines; Drugs Used in Erectile Dysfunction"	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2					6681	46504602		PA451946		DAP000087	Yohimbine	CHEMBL15245	220982
DB01393	Bezafibrate	BE0001007	PPARD	Q03181	PPARD_HUMAN	agonist	16168052	"Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O					949	46509188	D01366	PA162364313		DAP001182	Bezafibrate	CHEMBL264374	1525
DB01393	Bezafibrate	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	16168052	"Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O					949	46509188	D01366	PA162364313		DAP001182	Bezafibrate	CHEMBL264374	1525
DB01393	Bezafibrate	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	10909982; 10933891; 11172467; 11422732; 11519881; 18629356; 16511610; 11752352	"Pedraza N, Solanes G, Carmona MC, Iglesias R, Vinas O, Mampel T, Vazquez M, Giralt M, Villarroya F: Impaired expression of the uncoupling protein-3 gene in skeletal muscle during lactation: fibrates and troglitazone reverse lactation-induced downregulation of the uncoupling protein-3 gene. Diabetes. 2000 Jul;49(7):1224-30.@@Cabrero A, Alegret M, Sanchez R, Adzet T, Laguna JC, Vazquez M: Peroxisome proliferator-activated receptor alpha (PPARalpha) activators, bezafibrate and Wy-14,643, increase uncoupling protein-3 mRNA levels without modifying the mitochondrial membrane potential in primary culture of rat preadipocytes. Arch Biochem Biophys. 2000 Aug 15;380(2):353-9.@@Inoue I, Goto S, Matsunaga T, Nakajima T, Awata T, Hokari S, Komoda T, Katayama S: The ligands/activators for peroxisome proliferator-activated receptor alpha (PPARalpha) and PPARgamma increase Cu2+,Zn2+-superoxide dismutase and decrease p22phox message expressions in primary endothelial cells. Metabolism. 2001 Jan;50(1):3-11.@@Guan Y, Breyer MD: Peroxisome proliferator-activated receptors (PPARs): novel therapeutic targets in renal disease. Kidney Int. 2001 Jul;60(1):14-30.@@Bonilla S, Redonnet A, Noel-Suberville C, Groubet R, Pallet V, Higueret P: Effect of a pharmacological activation of PPAR on the expression of RAR and TR in rat liver. J Physiol Biochem. 2001 Mar;57(1):1-8.@@Goldenberg I, Benderly M, Goldbourt U: Update on the use of fibrates: focus on bezafibrate. Vasc Health Risk Manag. 2008;4(1):131-41.@@Fruchart JC, Duriez P: Mode of action of fibrates in the regulation of triglyceride and HDL-cholesterol metabolism. Drugs Today (Barc). 2006 Jan;42(1):39-64.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O					949	46509188	D01366	PA162364313		DAP001182	Bezafibrate	CHEMBL264374	1525
DB01393	Bezafibrate	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	20024649	"Creusot N, Kinani S, Balaguer P, Tapie N, LeMenach K, Maillot-Marechal E, Porcher JM, Budzinski H, Ait-Aissa S: Evaluation of an hPXR reporter gene assay for the detection of aquatic emerging pollutants: screening of chemicals and application to water samples. Anal Bioanal Chem. 2010 Jan;396(2):569-83. doi: 10.1007/s00216-009-3310-y. Epub 2009 Nov 29."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O					949	46509188	D01366	PA162364313		DAP001182	Bezafibrate	CHEMBL264374	1525
DB01393	Bezafibrate	BE0000412	RXRA	P19793	RXRA_HUMAN	agonist	23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Ethers; Fibric Acid Derivatives; Amides; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Cytochrome P-450 CYP2C8 Inhibitors; Fibric Acids; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Phenols; Benzamides and benzamide derivatives; Cytochrome P-450 CYP2C8 Inhibitors (weak); Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Acids, Carbocyclic; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Chlorobenzoates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O					949	46509188	D01366	PA162364313		DAP001182	Bezafibrate	CHEMBL264374	1525
DB01394	Colchicine	BE0000143	TUBB	P07437	TBB5_HUMAN	inhibitor	16166440; 19527023; 20814887; 15720245; 25151572; 22814904; 20586571	"Yee KW, Hagey A, Verstovsek S, Cortes J, Garcia-Manero G, O'Brien SM, Faderl S, Thomas D, Wierda W, Kornblau S, Ferrajoli A, Albitar M, McKeegan E, Grimm DR, Mueller T, Holley-Shanks RR, Sahelijo L, Gordon GB, Kantarjian HM, Giles FJ: Phase 1 study of ABT-751, a novel microtubule inhibitor, in patients with refractory hematologic malignancies. Clin Cancer Res. 2005 Sep 15;11(18):6615-24.@@Acharya BR, Choudhury D, Das A, Chakrabarti G: Vitamin K3 disrupts the microtubule networks by binding to tubulin: a novel mechanism of its antiproliferative activity. Biochemistry. 2009 Jul 28;48(29):6963-74. doi: 10.1021/bi900152k.@@Li CM, Lu Y, Ahn S, Narayanan R, Miller DD, Dalton JT: Competitive mass spectrometry binding assay for characterization of three binding sites of tubulin. J Mass Spectrom. 2010 Oct;45(10):1160-6. doi: 10.1002/jms.1804.@@Cerquaglia C, Diaco M, Nucera G, La Regina M, Montalto M, Manna R: Pharmacological and clinical basis of treatment of Familial Mediterranean Fever (FMF) with colchicine or analogues: an update. Curr Drug Targets Inflamm Allergy. 2005 Feb;4(1):117-24.@@Dalbeth N, Lauterio TJ, Wolfe HR: Mechanism of action of colchicine in the treatment of gout. Clin Ther. 2014 Oct 1;36(10):1465-79. doi: 10.1016/j.clinthera.2014.07.017. Epub 2014 Aug 21.@@Lu Y, Chen J, Xiao M, Li W, Miller DD: An overview of tubulin inhibitors that interact with the colchicine binding site. Pharm Res. 2012 Nov;29(11):2943-71. doi: 10.1007/s11095-012-0828-z. Epub 2012 Jul 20.@@Finkelstein Y, Aks SE, Hutson JR, Juurlink DN, Nguyen P, Dubnov-Raz G, Pollak U, Koren G, Bentur Y: Colchicine poisoning: the dark side of an ancient drug. Clin Toxicol (Phila). 2010 Jun;48(5):407-14. doi: 10.3109/15563650.2010.495348."	Approved			Tubulin Modulators; Cytochrome P-450 CYP2B6 Inhibitors; Antimitotic Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Agents Causing Muscle Toxicity; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Mitosis Modulators; Antigout Preparations; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Preparations With No Effect on Uric Acid Metabolism	COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O					6760	46505639	D00570	PA449092		DAP001254	Colchicine	CHEMBL107	2683
DB01395	Drospirenone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	11024226; 8922878; 7625729; 8732994; 12659403; 15134826	"Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Fuhrmann U, Krattenmacher R, Slater EP, Fritzemeier KH: The novel progestin drospirenone and its natural counterpart progesterone: biochemical profile and antiandrogenic potential. Contraception. 1996 Oct;54(4):243-51.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x.@@Oelkers WK: Effects of estrogens and progestogens on the renin-aldosterone system and blood pressure. Steroids. 1996 Apr;61(4):166-71.@@Oelkers W: Antimineralocorticoid activity of a novel oral contraceptive containing drospirenone, a unique progestogen resembling natural progesterone. Eur J Contracept Reprod Health Care. 2002 Dec;7 Suppl 3:19-26; discussion 42-3.@@Oelkers W: Drospirenone, a progestogen with antimineralocorticoid properties: a short review. Mol Cell Endocrinol. 2004 Mar 31;217(1-2):255-61. doi: 10.1016/j.mce.2003.10.030."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21					13375	46507653	D03917	PA164749409		DAP001206	Drospirenone	CHEMBL1509	11636
DB01395	Drospirenone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	11024226; 16157482; 8922878; 17000933; 16291771; 15493951; 7625729	"Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Bray JD, Jelinsky S, Ghatge R, Bray JA, Tunkey C, Saraf K, Jacobsen BM, Richer JK, Brown EL, Winneker RC, Horwitz KB, Lyttle CR: Quantitative analysis of gene regulation by seven clinically relevant progestins suggests a highly similar mechanism of action through progesterone receptors in T47D breast cancer cells. J Steroid Biochem Mol Biol. 2005 Dec;97(4):328-41. Epub 2005 Sep 12.@@Fuhrmann U, Krattenmacher R, Slater EP, Fritzemeier KH: The novel progestin drospirenone and its natural counterpart progesterone: biochemical profile and antiandrogenic potential. Contraception. 1996 Oct;54(4):243-51.@@Arias-Loza PA, Hu K, Schafer A, Bauersachs J, Quaschning T, Galle J, Jazbutyte V, Neyses L, Ertl G, Fritzemeier KH, Hegele-Hartung C, Pelzer T: Medroxyprogesterone acetate but not drospirenone ablates the protective function of 17 beta-estradiol in aldosterone salt-treated rats. Hypertension. 2006 Nov;48(5):994-1001. Epub 2006 Sep 25.@@Sitruk-Ware R: New progestagens for contraceptive use. Hum Reprod Update. 2006 Mar-Apr;12(2):169-78. Epub 2005 Nov 16.@@Sitruk-Ware R: New progestogens: a review of their effects in perimenopausal and postmenopausal women. Drugs Aging. 2004;21(13):865-83.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21					13375	46507653	D03917	PA164749409		DAP001206	Drospirenone	CHEMBL1509	11636
DB01395	Drospirenone	BE0000794	NR3C1	P04150	GCR_HUMAN	binder	11024226; 7625729	"Krattenmacher R: Drospirenone: pharmacology and pharmacokinetics of a unique progestogen. Contraception. 2000 Jul;62(1):29-38.@@Muhn P, Fuhrmann U, Fritzemeier KH, Krattenmacher R, Schillinger E: Drospirenone: a novel progestogen with antimineralocorticoid and antiandrogenic activity. Ann N Y Acad Sci. 1995 Jun 12;761:311-35. doi: 10.1111/j.1749-6632.1995.tb31386.x."	Approved	Spironolactones and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Progestins; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Diuretics; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Natriuretic Agents; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21					13375	46507653	D03917	PA164749409		DAP001206	Drospirenone	CHEMBL1509	11636
DB01396	Digitoxin	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	inhibitor	11309248; 123547; 131389; 132355; 136410; 19751721	"Chen JJ, Wang PS, Chien EJ, Wang SW: Direct inhibitory effect of digitalis on progesterone release from rat granulosa cells. Br J Pharmacol. 2001 Apr;132(8):1761-8.@@Marcus FI, Ryan JN, Stafford MG: The reactivity of derivatives of digoxin and digitoxin as measured by the Na-K-atpase displacement assay and by radioimmunoassay. J Lab Clin Med. 1975 Apr;85(4):610-20.@@Prignitz R, Frohlich D, Hoffmeister G: [Influence of roentgen rays on electrolyte changes and metabolism of the myocardium. VII. Radiation-induced inhibition of the sodium- and potassium--activated microscomal-trasport ATPase]. Strahlentherapie. 1976 Apr;151(4):356-65.@@Bluschke V, Bonn R, Greeff K: Increase in the (Na+ + K+)-ATPase activity in heart muscle after chronic treatment with digitoxin or potassium deficient diet. Eur J Pharmacol. 1976 May;37(1):189-91.@@Fricke U: [New aspects on the mode of action of cardiac glycosides]. Fortschr Med. 1976 Nov 11;94(32):1037-45.@@Hauck C, Potter T, Bartz M, Wittwer T, Wahlers T, Mehlhorn U, Scheiner-Bobis G, McDonough AA, Bloch W, Schwinger RH, Muller-Ehmsen J: Isoform specificity of cardiac glycosides binding to human Na+,K+-ATPase alpha1beta1, alpha2beta1 and alpha3beta1. Eur J Pharmacol. 2009 Nov 10;622(1-3):7-14. doi: 10.1016/j.ejphar.2009.08.039. Epub 2009 Sep 12."	Approved; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	"Glycosides; QTc Prolonging Agents; Enzyme Inhibitors; Carbohydrates; Cytochrome P-450 CYP3A Substrates; Protective Agents; Cardiac Glycosides; Cardiovascular Agents; Cytochrome P-450 Substrates; P-glycoprotein substrates; Steroids; Cardiotonic Agents; Fused-Ring Compounds; Potential QTc-Prolonging Agents; Cardanolides; Digitalis Glycosides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cardenolides; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Narrow Therapeutic Index Drugs"	[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1					10107	46506035	D00297	PA449316		DAP000120	Digitoxin	CHEMBL254219	3403
DB01403	Methotrimeprazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	15701205; 2870716; 10592235	"Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81.@@Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	15701205	"Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	15701205	"Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2899826	"Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	2870716; 2899826	"Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	2870716; 2899826	"Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	2870716; 2899826	"Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9.@@Hals PA, Hall H, Dahl SG: Muscarinic cholinergic and histamine H1 receptor binding of phenothiazine drug metabolites. Life Sci. 1988;43(5):405-12."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15701205; 2870716	"Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81.@@Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01403	Methotrimeprazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15701205; 2870716	"Green B, Pettit T, Faith L, Seaton K: Focus on levomepromazine. Curr Med Res Opin. 2004 Dec;20(12):1877-81.@@Dahl SG, Hough E, Hals PA: Phenothiazine drugs and metabolites: molecular conformation and dopaminergic, alpha adrenergic and muscarinic cholinergic receptor binding. Biochem Pharmacol. 1986 Apr 15;35(8):1263-9."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Hyperglycemia-Associated Agents; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Analgesics, Non-Narcotic; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strong); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1					8029	46507223	D00403	PA164743234			Levomepromazine	CHEMBL1764	6852
DB01404	Ginseng	BE0003721	AHR	P35869	AHR_HUMAN	agonist	19022240	"Wang Y, Ye X, Ma Z, Liang Q, Lu B, Tan H, Xiao C, Zhang B, Gao Y: Induction of cytochrome P450 1A1 expression by ginsenoside Rg1 and Rb1 in HepG2 cells. Eur J Pharmacol. 2008 Dec 28;601(1-3):73-8. doi: 10.1016/j.ejphar.2008.10.057. Epub 2008 Nov 11."	Investigational; Nutraceutical			Plant Preparations; Biological Products; Viridiplantae; Angiosperms; Herbs and Natural Products; Eukaryota; Pharmaceutical Preparations; Plant Extracts; Complex Mixtures; Tracheophyta; Araliaceae; Embryophyta; Ginseng & Ginseng Extracts; Streptophyta						4461	46508934		PA164781150			Ginseng		325526
DB01406	Danazol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	7540578; 2326286; 4039467; 11752352	"Fujimoto J, Hori M, Itoh T, Ichigo S, Nishigaki M, Tamaya T: Danazol decreases transcription of estrogen receptor gene in human monocytes. Gen Pharmacol. 1995 May;26(3):507-16.@@Snyder BW, Beecham GD, Winneker RC: Danazol suppression of luteinizing hormone in the rat: evidence for mediation by both androgen and estrogen receptors. Proc Soc Exp Biol Med. 1990 May;194(1):54-7.@@Sanfilippo JS, Barrows GH, Apkarian RP, Wittliff JL: Evaluation of danazol influence upon the uterus using scanning electron microscopic morphometric and biochemical analyses. Surg Gynecol Obstet. 1985 May;160(5):421-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3					2282	46506475	D00289	PA164749056		DAP001017	Danazol	CHEMBL1479	3102
DB01406	Danazol	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	17636649; 18061638; 8000225; 2404115	"Beaumont H, Augood C, Duckitt K, Lethaby A: Danazol for heavy menstrual bleeding. Cochrane Database Syst Rev. 2007 Jul 18;(3):CD001017.@@Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22.@@Huang HF, Wang M: [Effects of gossypol acetate, danazol, progesterone and GnRH-A on estrogen and progesterone receptors of human endometrial cells]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 1994 Jun;14(6):352-3, 325.@@Dmowski WP: Danazol. A synthetic steroid with diverse biologic effects. J Reprod Med. 1990 Jan;35(1 Suppl):69-74; discussion 74-5."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3					2282	46506475	D00289	PA164749056		DAP001017	Danazol	CHEMBL1479	3102
DB01406	Danazol	BE0000203	GNRHR	P30968	GNRHR_HUMAN	negative modulator	14571621; 3004220; 14605254; 2404115	"Tian ZZ, Zhao H, Chen BY: [Effect of Chinese herbal medicine for nourishing yin and purging fire on mRNA expressions of gonadotropin-releasing hormone and its receptor in precocious puberty model rats]. Zhongguo Zhong Xi Yi Jie He Za Zhi. 2003 Sep;23(9):695-8.@@Menon M, Peegel H, Katta V: Inhibition of gonadotropin-releasing hormone receptors in rat anterior pituitary monolayer cell cultures by danazol. Am J Obstet Gynecol. 1986 Feb;154(2):367-72.@@Roth C, Hegemann F, Hildebrandt J, Balzer I, Witt A, Wuttke W, Jarry H: Pituitary and gonadal effects of GnRH (gonadotropin releasing hormone) analogues in two peripubertal female rat models. Pediatr Res. 2004 Jan;55(1):126-33. Epub 2003 Nov 6.@@Dmowski WP: Danazol. A synthetic steroid with diverse biologic effects. J Reprod Med. 1990 Jan;35(1 Suppl):69-74; discussion 74-5."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Androgens; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Hyperglycemia-Associated Agents; Hormone Antagonists; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Antagonists; Antigonadotropins and Similar Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fused-Ring Compounds; Cytochrome P-450 CYP3A4 Inhibitors (strong); Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3					2282	46506475	D00289	PA164749056		DAP001017	Danazol	CHEMBL1479	3102
DB01407	Clenbuterol	BE0001094	NGF	P01138	NGF_HUMAN	stimulator	10403429; 10525174; 10637819; 11146120; 11221812	"Culmsee C, Semkova I, Krieglstein J: NGF mediates the neuroprotective effect of the beta2-adrenoceptor agonist clenbuterol in vitro and in vivo: evidence from an NGF-antisense study. Neurochem Int. 1999 Jul;35(1):47-57.@@Semkova I, Krieglstein J: Neuroprotection mediated via neurotrophic factors and induction of neurotrophic factors. Brain Res Brain Res Rev. 1999 Aug;30(2):176-88.@@Puls I, Beck M, Giess R, Magnus T, Ochs G, Toyka KV: [Clenbuterol in amyotrophic lateral sclerosis. No indication for a positive effect]. Nervenarzt. 1999 Dec;70(12):1112-5.@@Samina Riaz S, Tomlinson DR: Pharmacological modulation of nerve growth factor synthesis: a mechanistic comparison of vitamin D receptor and beta(2)-adrenoceptor agonists. Brain Res Mol Brain Res. 2000 Dec 28;85(1-2):179-88.@@Riaz SS, Tomlinson DR: Clenbuterol stimulates neurotrophic support in streptozotocin-diabetic rats. Diabetes Obes Metab. 1999 Jan;1(1):43-51."	Approved; Investigational; Vet_approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Adrenergics, Inhalants; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic Agents"	CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1					20239	46508373		PA164745640		DAP000945	Clenbuterol	CHEMBL49080	2580
DB01408	Bambuterol	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	34269114; 1994894; 27744187; 8905251; 10839906	"Li S, Li AJ, Travers J, Xu T, Sakamuru S, Klumpp-Thomas C, Huang R, Xia M: Identification of Compounds for Butyrylcholinesterase Inhibition. SLAS Discov. 2021 Dec;26(10):1355-1364. doi: 10.1177/24725552211030897. Epub 2021 Jul 16.@@Tunek A, Hjertberg E, Mogensen JV: Interactions of bambuterol with human serum cholinesterase of the genotypes EuEu (normal), EaEa (atypical) and EuEa. Biochem Pharmacol. 1991 Feb 1;41(3):345-8. doi: 10.1016/0006-2952(91)90530-i.@@Wu J, Tian Y, Wang S, Pistolozzi M, Jin Y, Zhou T, Roy G, Xu L, Tan W: Design, synthesis and biological evaluation of bambuterol analogues as novel inhibitors of butyrylcholinesterase. Eur J Med Chem. 2017 Jan 27;126:61-71. doi: 10.1016/j.ejmech.2016.08.061. Epub 2016 Aug 26.@@Feldman S, Karalliedde L: Drug interactions with neuromuscular blockers. Drug Saf. 1996 Oct;15(4):261-73. doi: 10.2165/00002018-199615040-00004.@@Ostergaard D, Rasmussen SN, Viby-Mogensen J, Pedersen NA, Boysen R: The influence of drug-induced low plasma cholinesterase activity on the pharmacokinetics and pharmacodynamics of mivacurium. Anesthesiology. 2000 Jun;92(6):1581-7. doi: 10.1097/00000542-200006000-00014."	Investigational	Phenoxy compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds	Adrenergic beta-Agonists; Selective Beta 2-adrenergic Agonists; Amines; Adrenergics for Systemic Use; Anti-Asthmatic Agents; Agents producing tachycardia; Autonomic Agents; Amino Alcohols; Agents to Treat Airway Disease; Alcohols; Bronchodilator Agents; Prodrugs; Drugs for Obstructive Airway Diseases; Long-acting beta-adrenoceptor agonists; Adrenergic Agonists; Delayed-Action Preparations; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Cholinesterase substrates; Cholinesterase Inhibitors; Adrenergic beta-2 Receptor Agonists; Ethanolamines	CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C						46505785	D07377	PA164743113		DAP000250	Bambuterol	CHEMBL521589	18751
DB01409	Tiotropium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11752352; 12582447; 11281822; 10188785	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hansel TT, Barnes PJ: Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc). 2002 Sep;38(9):585-600.@@Barnes PJ: Tiotropium bromide. Expert Opin Investig Drugs. 2001 Apr;10(4):733-40.@@Barnes PJ, Belvisi MG, Mak JC, Haddad EB, O'Connor B: Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci. 1995;56(11-12):853-9."	Approved	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents"	[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1					13057	46504448		PA164769056		DAP000344	Tiotropium	CHEMBL1900528	69120
DB01409	Tiotropium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	12582447; 10188785	"Hansel TT, Barnes PJ: Tiotropium bromide: a novel once-daily anticholinergic bronchodilator for the treatment of COPD. Drugs Today (Barc). 2002 Sep;38(9):585-600.@@Barnes PJ, Belvisi MG, Mak JC, Haddad EB, O'Connor B: Tiotropium bromide (Ba 679 BR), a novel long-acting muscarinic antagonist for the treatment of obstructive airways disease. Life Sci. 1995;56(11-12):853-9."	Approved	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents"	[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1					13057	46504448		PA164769056		DAP000344	Tiotropium	CHEMBL1900528	69120
DB01409	Tiotropium	BE0000247	CHRM5	P08912	ACM5_HUMAN		21870878	"Glossop PA, Watson CA, Price DA, Bunnage ME, Middleton DS, Wood A, James K, Roberts D, Strang RS, Yeadon M, Perros-Huguet C, Clarke NP, Trevethick MA, Machin I, Stuart EF, Evans SM, Harrison AC, Fairman DA, Agoram B, Burrows JL, Feeder N, Fulton CK, Dillon BR, Entwistle DA, Spence FJ: Inhalation by design: novel tertiary amine muscarinic M(3) receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease. J Med Chem. 2011 Oct 13;54(19):6888-904. doi: 10.1021/jm200884j. Epub 2011 Sep 20."	Approved	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Drugs that are Mainly Renally Excreted; Tropanes; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Scopolamine Derivatives; Adrenergics, Inhalants; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Neurotransmitter Agents"	[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1					13057	46504448		PA164769056		DAP000344	Tiotropium	CHEMBL1900528	69120
DB01410	Ciclesonide	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	17530144	Barnes NC: The properties of inhaled corticosteroids: similarities and differences. Prim Care Respir J. 2007 Jun;16(3):149-54.	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Pregnenes; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2D6 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C					19961	46508553	D01703	PA164781399		DAP000423	Ciclesonide	CHEMBL2040682	274964
DB01411	Pranlukast	BE0001086	NFKB1	P19838	NFKB1_HUMAN	other/unknown	12801315; 12801316	"Tomari S, Matsuse H, Machida I, Kondo Y, Kawano T, Obase Y, Fukushima C, Shimoda T, Kohno S: Pranlukast, a cysteinyl leukotriene receptor 1 antagonist, attenuates allergen-specific tumour necrosis factor alpha production and nuclear factor kappa B nuclear translocation in peripheral blood monocytes from atopic asthmatics. Clin Exp Allergy. 2003 Jun;33(6):795-801.@@Ichiyama T, Hasegawa S, Umeda M, Terai K, Matsubara T, Furukawa S: Pranlukast inhibits NF-kappa B activation in human monocytes/macrophages and T cells. Clin Exp Allergy. 2003 Jun;33(6):802-7."	Investigational	Chromones	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Anti-Asthmatic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Obstructive Airway Diseases; Hormone Antagonists; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists"	O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1						46508129		PA134698661		DAP000977	Pranlukast	CHEMBL21333	
DB01411	Pranlukast	BE0004903	NFKB2	P19838	NFKB1_HUMAN	inhibitor	12801316	"Ichiyama T, Hasegawa S, Umeda M, Terai K, Matsubara T, Furukawa S: Pranlukast inhibits NF-kappa B activation in human monocytes/macrophages and T cells. Clin Exp Allergy. 2003 Jun;33(6):802-7."	Investigational	Chromones	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	"Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Anti-Asthmatic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Obstructive Airway Diseases; Hormone Antagonists; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists"	O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1						46508129		PA134698661		DAP000977	Pranlukast	CHEMBL21333	
DB01412	Theobromine	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	12602592; 16702031; 17372967; 17126319; 17162470; 17085856; 15095008; 3588607	"Chou CC, Vickroy TW: Antagonism of adenosine receptors by caffeine and caffeine metabolites in equine forebrain tissues. Am J Vet Res. 2003 Feb;64(2):216-24.@@Gaytan SP, Saadani-Makki F, Bodineau L, Frugiere A, Larnicol N, Pasaro R: Effect of postnatal exposure to caffeine on the pattern of adenosine A1 receptor distribution in respiration-related nuclei of the rat brainstem. Auton Neurosci. 2006 Jun 30;126-127:339-46. Epub 2006 May 15.@@Wang SJ: Caffeine facilitation of glutamate release from rat cerebral cortex nerve terminals (synaptosomes) through activation protein kinase C pathway: an interaction with presynaptic adenosine A1 receptors. Synapse. 2007 Jun;61(6):401-11.@@Rieg T, Schnermann J, Vallon V: Adenosine A1 receptors determine effects of caffeine on total fluid intake but not caffeine appetite. Eur J Pharmacol. 2007 Jan 26;555(2-3):174-7. Epub 2006 Oct 25.@@Mustafa S, Venkatesh P, Pasha K, Mullangi R, Srinivas NR: Altered intravenous pharmacokinetics of topotecan in rats with acute renal failure (ARF) induced by uranyl nitrate: do adenosine A1 antagonists (selective/non-selective) normalize the altered topotecan kinetics in ARF? Xenobiotica. 2006 Dec;36(12):1239-58.@@Listos J, Malec D, Fidecka S: Adenosine receptor antagonists intensify the benzodiazepine withdrawal signs in mice. Pharmacol Rep. 2006 Sep-Oct;58(5):643-51.@@Fisone G, Borgkvist A, Usiello A: Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.@@Daly JW, Jacobson KA, Ukena D: Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63."	Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Anti-Asthmatic Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP2E1 Substrates; Heterocyclic Compounds, Fused-Ring; Diuretics; Vasodilating Agents; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Cytochrome P-450 CYP1A2 Substrates"	CN1C=NC2=C1C(=O)NC(=O)N2C		Caffeine Metabolism	metabolic			46508574		PA451646			Theobromine	CHEMBL1114	10437
DB01412	Theobromine	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	11692087; 15095008; 17514358; 18568240	"Essayan DM: Cyclic nucleotide phosphodiesterases. J Allergy Clin Immunol. 2001 Nov;108(5):671-80.@@Fisone G, Borgkvist A, Usiello A: Caffeine as a psychomotor stimulant: mechanism of action. Cell Mol Life Sci. 2004 Apr;61(7-8):857-72.@@Daly JW: Caffeine analogs: biomedical impact. Cell Mol Life Sci. 2007 Aug;64(16):2153-69.@@Deree J, Martins JO, Melbostad H, Loomis WH, Coimbra R: Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8."	Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Anti-Asthmatic Agents; Autonomic Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Low-Ceiling Diuretics, Excl. Thiazides; Alkaloids; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Cytochrome P-450 CYP2E1 Substrates; Heterocyclic Compounds, Fused-Ring; Diuretics; Vasodilating Agents; Purinones; Respiratory System Agents; Peripheral Nervous System Agents; Xanthine derivatives; Cytochrome P-450 CYP1A2 Substrates"	CN1C=NC2=C1C(=O)NC(=O)N2C		Caffeine Metabolism	metabolic			46508574		PA451646			Theobromine	CHEMBL1114	10437
DB01422	Nitroxoline	BE0001534	METAP2	P50579	MAP2_HUMAN	inhibitor	21088277	"Shim JS, Matsui Y, Bhat S, Nacev BA, Xu J, Bhang HE, Dhara S, Han KC, Chong CR, Pomper MG, So A, Liu JO: Effect of nitroxoline on angiogenesis and growth of human bladder cancer. J Natl Cancer Inst. 2010 Dec 15;102(24):1855-73. doi: 10.1093/jnci/djq457. Epub 2010 Nov 18."	Experimental	Nitroquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Nitroquinolines and derivatives	"Anti-Infective Agents; Nitro Compounds; Heterocyclic Compounds, Fused-Ring; Antifungal Agents; Antibacterials for Systemic Use; Quinolines; Antiinfectives for Systemic Use; Anti-Infective Agents, Urinary"	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O						46505497		PA164754993			Nitroxoline	CHEMBL1454910	31901
DB01425	Alizapride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	7865862; 10075867; 8103596; 2943980	"Szelenyi I, Herold H, Gothert M: Emesis induced in domestic pigs: a new experimental tool for detection of antiemetic drugs and for evaluation of emetogenic potential of new anticancer agents. J Pharmacol Toxicol Methods. 1994 Oct;32(2):109-16.@@Gomez F, Ruiz P, Briceno F, Rivera C, Lopez R: Macrophage Fcgamma receptors expression is altered by treatment with dopaminergic drugs. Clin Immunol. 1999 Mar;90(3):375-87.@@Dhasmana KM, Villalon CM, Zhu YN, Parmar SS: The role of dopamine (D2), alpha and beta-adrenoceptor receptors in the decrease in gastrointestinal transit induced by dopamine and dopamine-related drugs in the rat. Pharmacol Res. 1993 May-Jun;27(4):335-47.@@Kilpatrick GJ, el Tayar N, Van de Waterbeemd H, Jenner P, Testa B, Marsden CD: The thermodynamics of agonist and antagonist binding to dopamine D-2 receptors. Mol Pharmacol. 1986 Sep;30(3):226-34."	Investigational	Benzotriazoles	Organic compounds; Organoheterocyclic compounds; Benzotriazoles	Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Propulsives; Antiemetics; Dopamine Antagonists; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists	COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C						46505555		PA164744894			Alizapride	CHEMBL290194	17311
DB01426	Ajmaline	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	18599870; 6088360; 21126620; 20870038; 20174578; 20022821	"Barajas-Martinez HM, Hu D, Cordeiro JM, Wu Y, Kovacs RJ, Meltser H, Kui H, Elena B, Brugada R, Antzelevitch C, Dumaine R: Lidocaine-induced Brugada syndrome phenotype linked to a novel double mutation in the cardiac sodium channel. Circ Res. 2008 Aug 15;103(4):396-404. doi: 10.1161/CIRCRESAHA.108.172619. Epub 2008 Jul 3.@@Khodorov BI, Zaborovskaya LD: Blockade of sodium and potassium channels in the node of Ranvier by ajmaline and N-propyl ajmaline. Gen Physiol Biophys. 1983 Aug;2(4):233-68.@@Hermida JS, Dassonvalle E, Six I, Amant C, Coviaux F, Clerc J, Herent D, Hermida A, Rochette J, Jarry G: Prospective evaluation of the familial prevalence of the brugada syndrome. Am J Cardiol. 2010 Dec 15;106(12):1758-62. doi: 10.1016/j.amjcard.2010.07.049.@@Hoogendijk MG, Potse M, Vinet A, de Bakker JM, Coronel R: ST segment elevation by current-to-load mismatch: an experimental and computational study. Heart Rhythm. 2011 Jan;8(1):111-8. doi: 10.1016/j.hrthm.2010.09.066. Epub 2010 Oct 30.@@Leoni AL, Gavillet B, Rougier JS, Marionneau C, Probst V, Le Scouarnec S, Schott JJ, Demolombe S, Bruneval P, Huang CL, Colledge WH, Grace AA, Le Marec H, Wilde AA, Mohler PJ, Escande D, Abriel H, Charpentier F: Variable Na(v)1.5 protein expression from the wild-type allele correlates with the penetrance of cardiac conduction disease in the Scn5a(+/-) mouse model. PLoS One. 2010 Feb 19;5(2):e9298. doi: 10.1371/journal.pone.0009298.@@Hoogendijk MG, Potse M, Linnenbank AC, Verkerk AO, den Ruijter HM, van Amersfoorth SC, Klaver EC, Beekman L, Bezzina CR, Postema PG, Tan HL, Reimer AG, van der Wal AC, Ten Harkel AD, Dalinghaus M, Vinet A, Wilde AA, de Bakker JM, Coronel R: Mechanism of right precordial ST-segment elevation in structural heart disease: excitation failure by current-to-load mismatch. Heart Rhythm. 2010;7(2):238-48. doi: 10.1016/j.hrthm.2009.10.007. Epub 2009 Oct 12."	Approved; Experimental	Ajmaline-sarpagine alkaloids	Organic compounds; Alkaloids and derivatives; Ajmaline-sarpagine alkaloids	"Sodium Channel Blockers; QTc Prolonging Agents; Indolizidines; Antiarrhythmics, Class Ia; Indoles; Antiarrhythmics, Class Ic; Cardiovascular Agents; Alkaloids; Membrane Transport Modulators; Secologanin Tryptamine Alkaloids; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Ajmaline and derivatives; Indole Alkaloids; Antiarrhythmic agents; Voltage-Gated Sodium Channel Blockers; Cardiac Therapy; Antiarrhythmics, Class I; Indolizines"	[H][C@]12C[C@]34[C@H](O)C1[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)C1=CC=CC=C41						46506449	D00199	PA164776839			Ajmaline	CHEMBL2357792	423
DB01427	Amrinone	BE0009963	PDE4A	Q08499	PDE4D_HUMAN	inhibitor	14577594	"Abdollahi M, Chan TS, Subrahmanyam V, O'Brien PJ: Effects of phosphodiesterase 3,4,5 inhibitors on hepatocyte cAMP levels, glycogenolysis, gluconeogenesis and susceptibility to a mitochondrial toxin. Mol Cell Biochem. 2003 Oct;252(1-2):205-11. doi: 10.1023/a:1025568714217."	Approved	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines	"Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents"	NC1=CC(=CNC1=O)C1=CC=NC=C1					13165	46504647	D00231	PA164746803		DAP001392	Amrinone	CHEMBL12856	738
DB01427	Amrinone	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	11752352; 12076859; 19901885; 18468627	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kobayashi T, Sugawara Y, Ohkubo T, Imamura H, Makuuchi M: Effects of amrinone on hepatic ischemia-reperfusion injury in rats. J Hepatol. 2002 Jul;37(1):31-8.@@Ko Y, Morita K, Nagahori R, Kinouchi K, Shinohara G, Kagawa H, Hashimoto K: Myocardial cyclic AMP augmentation with high-dose PDEIII inhibitor in terminal warm blood cardioplegia. Ann Thorac Cardiovasc Surg. 2009 Oct;15(5):311-7.@@Kucuk C, Akcan A, Akyyldyz H, Akgun H, Muhtaroglu S, Sozuer E: Effects of amrinone in an experimental model of hepatic ischemia-reperfusion injury. J Surg Res. 2009 Jan;151(1):74-9. doi: 10.1016/j.jss.2008.02.008. Epub 2008 Mar 13."	Approved	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines	"Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents"	NC1=CC(=CNC1=O)C1=CC=NC=C1					13165	46504647	D00231	PA164746803		DAP001392	Amrinone	CHEMBL12856	738
DB01427	Amrinone	BE0001223	PDE3B	Q13370	PDE3B_HUMAN	inhibitor	19060915; 17332439; 24930515	"Rao YJ, Xi L: Pivotal effects of phosphodiesterase inhibitors on myocyte contractility and viability in normal and ischemic hearts. Acta Pharmacol Sin. 2009 Jan;30(1):1-24. doi: 10.1038/aps.2008.1. Epub 2008 Dec 8.@@Yan C, Miller CL, Abe J: Regulation of phosphodiesterase 3 and inducible cAMP early repressor in the heart. Circ Res. 2007 Mar 2;100(4):489-501. doi: 10.1161/01.RES.0000258451.44949.d7.@@Zywert A, Szkudelska K, Szkudelski T: Inhibition of phosphodiesterase 3B in insulin-secreting cells of normal and streptozocin-nicotinamide-induced diabetic rats: implications for insulin secretion. J Physiol Pharmacol. 2014 Jun;65(3):425-33."	Approved	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines	"Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Amines; Aminopyridines; Cardiac Therapy; Enzyme Inhibitors; Phosphodiesterase 3 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Protective Agents; Pyridines; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Tumor Necrosis Factor Blockers; Membrane Transport Modulators; Phosphodiesterase Inhibitors; Cardiotonic Agents"	NC1=CC(=CNC1=O)C1=CC=NC=C1					13165	46504647	D00231	PA164746803		DAP001392	Amrinone	CHEMBL12856	738
DB01428	Oxybenzone	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist	15537743	"Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10."	Approved; Investigational	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting"	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1					33	46508419	D05309	PA164742933			Oxybenzone	CHEMBL1625	32673
DB01428	Oxybenzone	BE0000123	ESR1	P03372	ESR1_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Approved; Investigational	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting"	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1					33	46508419	D05309	PA164742933			Oxybenzone	CHEMBL1625	32673
DB01428	Oxybenzone	BE0000792	ESR2	Q92731	ESR2_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Approved; Investigational	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Radiation-Protective Agents; Ketones; Sunscreen Agents; Protective Agents; Dermatologicals; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting"	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1					33	46508419	D05309	PA164742933			Oxybenzone	CHEMBL1625	32673
DB01429	Aprindine	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	1660104; 1653644	"Sato R, Hisatome I, Tanaka Y, Sasaki N, Kotake H, Mashiba H, Katori R: Aprindine blocks the sodium current in guinea-pig ventricular myocytes. Naunyn Schmiedebergs Arch Pharmacol. 1991 Sep;344(3):331-6.@@Kamiya K, Kodama I, Toyama J: A combination of inactivated sodium channel blockers causes competitive interaction on dV/dtmax of single ventricular myocytes. Cardiovasc Res. 1991 Jun;25(6):516-22."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes	"Antiarrhythmic agents; Sodium Channel Blockers; Cardiovascular Agents; Voltage-Gated Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Substrates; Cardiac Therapy; Cytochrome P-450 Substrates; Indans; Antiarrhythmics, Class Ib; Antiarrhythmics, Class I; Indenes; Membrane Transport Modulators"	CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1						46505478	D01326	PA164764496		DAP000954	Aprindine	CHEMBL1213033	1054
DB01430	Almitrine	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	binder	2144185; 2165421; 2527061; 8099718; 11752352	"Rigoulet M: Control processes in oxidative phosphorylation: kinetic constraints and stoichiometry. Biochim Biophys Acta. 1990 Jul 25;1018(2-3):185-9.@@Rigoulet M, Fraisse L, Ouhabi R, Guerin B, Fontaine E, Leverve X: Flux-dependent increase in the stoichiometry of charge translocation by mitochondrial ATPase/ATP synthase induced by almitrine. Biochim Biophys Acta. 1990 Jul 17;1018(1):91-7.@@Rigoulet M, Ouhabi R, Leverve X, Putod-Paramelle F, Guerin B: Almitrine, a new kind of energy-transduction inhibitor acting on mitochondrial ATP synthase. Biochim Biophys Acta. 1989 Aug 3;975(3):325-9.@@Benzi G, Gorini A, Ghigini B, Arnaboldi R, Villa RF: Synaptosomal non-mitochondrial ATPase activities and drug treatment. Neurochem Res. 1993 Jun;18(6):719-26.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Pharmaceutical Preparations; Central Nervous System Agents; Piperazines; Indolizidines; Indole Alkaloids; Triazines; Alkaloids; Protective Agents; Indolizines; Respiratory System Agents; Indoles; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1						46505517	D07126	PA164750492		DAP000468	Almitrine	CHEMBL1183717	528
DB01431	Allylestrenol	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	17013809; 17015480; 17109827; 17138644; 17169175; 3928974	"Madauss KP, Stewart EL, Williams SP: The evolution of progesterone receptor ligands. Med Res Rev. 2007 May;27(3):374-400.@@Gizard F, Robillard R, Gross B, Barbier O, Revillion F, Peyrat JP, Torpier G, Hum DW, Staels B: TReP-132 is a novel progesterone receptor coactivator required for the inhibition of breast cancer cell growth and enhancement of differentiation by progesterone. Mol Cell Biol. 2006 Oct;26(20):7632-44.@@Wu HB, Fabian S, Jenab S, Quinones-Jenab V: Progesterone receptors activation after acute cocaine administration. Brain Res. 2006 Dec 18;1126(1):188-92. Epub 2006 Nov 15.@@Boonyaratanakornkit V, McGowan E, Sherman L, Mancini MA, Cheskis BJ, Edwards DP: The role of extranuclear signaling actions of progesterone receptor in mediating progesterone regulation of gene expression and the cell cycle. Mol Endocrinol. 2007 Feb;21(2):359-75. Epub 2006 Nov 30.@@Tranguch S, Smith DF, Dey SK: Progesterone receptor requires a co-chaperone for signalling in uterine biology and implantation. Reprod Biomed Online. 2006 Nov;13(5):651-60.@@Bergink EW, Loonen PB, Kloosterboer HJ: Receptor binding of allylestrenol, a progestagen of the 19-nortestosterone series without androgenic properties. J Steroid Biochem. 1985 Aug;23(2):165-8."	Experimental	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Progestins; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Estren Derivatives; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]						46506946	D01374	PA164745307		DPR000085	Allylestrenol	CHEMBL3185133	525
DB01431	Allylestrenol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17103262; 17118173; 17203775; 17341305; 17415709; 8820988	"Kumar AS, Cureton E, Shim V, Sakata T, Moore DH, Benz CC, Esserman LJ, Hwang ES: Type and duration of exogenous hormone use affects breast cancer histology. Ann Surg Oncol. 2007 Feb;14(2):695-703. Epub 2006 Nov 14.@@Lessey BA, Palomino WA, Apparao KB, Young SL, Lininger RA: Estrogen receptor-alpha (ER-alpha) and defects in uterine receptivity in women. Reprod Biol Endocrinol. 2006;4 Suppl 1:S9.@@Yuri T, Tsukamoto R, Uehara N, Matsuoka Y, Tsubura A: Effects of different durations of estrogen and progesterone treatment on development of N-methyl-N-nitrosourea-induced mammary carcinomas in female Lewis rats. In Vivo. 2006 Nov-Dec;20(6B):829-36.@@Montero Girard G, Vanzulli SI, Cerliani JP, Bottino MC, Bolado J, Vela J, Becu-Villalobos D, Benavides F, Gutkind S, Patel V, Molinolo A, Lanari C: Association of estrogen receptor-alpha and progesterone receptor A expression with hormonal mammary carcinogenesis: role of the host microenvironment. Breast Cancer Res. 2007;9(2):R22.@@Ghebeh H, Tulbah A, Mohammed S, Elkum N, Bin Amer SM, Al-Tweigeri T, Dermime S: Expression of B7-H1 in breast cancer patients is strongly associated with high proliferative Ki-67-expressing tumor cells. Int J Cancer. 2007 Aug 15;121(4):751-8.@@Csaba G, Gonda AI, Karabelyos C: Contraceptive treatment increases the affinity of uterine estrogen receptor in adult rat: perinatal gestagen treatment changes the reaction. Horm Metab Res. 1996 Jan;28(1):16-9."	Experimental	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Progestins; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Estren Derivatives; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]						46506946	D01374	PA164745307		DPR000085	Allylestrenol	CHEMBL3185133	525
DB01436	Alfacalcidol	BE0000779	VDR	P11473	VDR_HUMAN	agonist	15503649; 11752352; 20435140	"Reinhart GA: Vitamin D analogs: novel therapeutic agents for cardiovascular disease? Curr Opin Investig Drugs. 2004 Sep;5(9):947-51.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Fujishima T, Tsuji G, Tanaka C, Harayama H: Novel vitamin D receptor ligands having a carboxyl group as an anchor to arginine 274 in the ligand-binding domain. J Steroid Biochem Mol Biol. 2010 Jul;121(1-2):60-2. doi: 10.1016/j.jsbmb.2010.04.020. Epub 2010 May 6."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Cholestenes; Steroids; Membrane Lipids; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases; Secosteroids	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C					4892	46505115	D01518	PA164746469			Alfacalcidol	CHEMBL1601669	12062
DB01436	Alfacalcidol	BE0000412	RXRA	P19793	RXRA_HUMAN		20947021	"Zhang J, Chalmers MJ, Stayrook KR, Burris LL, Garcia-Ordonez RD, Pascal BD, Burris TP, Dodge JA, Griffin PR: Hydrogen/deuterium exchange reveals distinct agonist/partial agonist receptor dynamics within vitamin D receptor/retinoid X receptor heterodimer. Structure. 2010 Oct 13;18(10):1332-41. doi: 10.1016/j.str.2010.07.007."	Approved; Nutraceutical	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Lipids; Cholestenes; Steroids; Membrane Lipids; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases; Secosteroids	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C					4892	46505115	D01518	PA164746469			Alfacalcidol	CHEMBL1601669	12062
DB01437	Glutethimide	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Illicit	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Piperidones; Piperidines; Piperidinedione Derivatives; Central Nervous System Agents; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics	CCC1(CCC(=O)NC1=O)C1=CC=CC=C1						46506283	D00532	PA164749505		DAP001305	Glutethimide	CHEMBL1102	4903
DB01438	Phenazopyridine	BE0000141	SCN1A	P35498	SCN1A_HUMAN	inhibitor			Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Amines; Aminopyridines; Antipruritics and Local Anesthetics; Urologicals; Nephrotoxic agents; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Methemoglobinemia Associated Agents; Pyridines	NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1					20246	46507962	D08346	PA164746899			Phenazopyridine	CHEMBL1242	8120
DB01439	3-Methylthiofentanyl	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	18325678	"Pascoe JE, Williams KL, Mukhopadhyay P, Rice KC, Woods JH, Ko MC: Effects of mu, kappa, and delta opioid receptor agonists on the function of hypothalamic-pituitary-adrenal axis in monkeys. Psychoneuroendocrinology. 2008 May;33(4):478-86. doi: 10.1016/j.psyneuen.2008.01.006. Epub 2008 Mar 5."	Experimental; Illicit	Anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1		3-Methylthiofentanyl Action Pathway	drug_action			46506995					3-Methylthiofentanyl	CHEMBL2365680	
DB01440	gamma-Hydroxybutyric acid	BE0002344	GABRB1	P18505	GBRB1_HUMAN	agonist	15745703	"Maitre M, Humbert JP, Kemmel V, Aunis D, Andriamampandry C: [A mechanism for gamma-hydroxybutyrate (GHB) as a drug and a substance of abuse]. Med Sci (Paris). 2005 Mar;21(3):284-9."	Approved; Illicit; Investigational			"Adjuvants, Anesthesia; Fatty Acids, Volatile; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Central Nervous System Depression; Lipids; Anesthetics; Acids, Acyclic; Fatty Acids; Decreased Central Nervous System Organized Electrical Activity; Butyrates"	OCCCC(O)=O					23850	46507548		PA10819		DAP001522	Gamma-Hydroxybutyric_acid	CHEMBL1342	2387302
DB01442	MMDA	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	15955613; 17209801; 10773193	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Haughey HM, Brown JM, Wilkins DG, Hanson GR, Fleckenstein AE: Differential effects of methamphetamine on Na(+)/Cl(-)-dependent transporters. Brain Res. 2000 Apr 28;863(1-2):59-65."	Experimental; Illicit	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists	COC1=CC(CC(C)N)=CC2=C1OCO2						46506802					MMDA_%28psychedelic%29	CHEMBL126506	
DB01442	MMDA	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	negative modulator	17139284; 17016423; 17209801; 10773193	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Haughey HM, Brown JM, Wilkins DG, Hanson GR, Fleckenstein AE: Differential effects of methamphetamine on Na(+)/Cl(-)-dependent transporters. Brain Res. 2000 Apr 28;863(1-2):59-65."	Experimental; Illicit	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists	COC1=CC(CC(C)N)=CC2=C1OCO2						46506802					MMDA_%28psychedelic%29	CHEMBL126506	
DB01442	MMDA	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	17209801	"Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Experimental; Illicit	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists	COC1=CC(CC(C)N)=CC2=C1OCO2						46506802					MMDA_%28psychedelic%29	CHEMBL126506	
DB01442	MMDA	BE0004674	SLC18A1	P54219	VMAT1_HUMAN	inhibitor	15955613; 9587917; 17209801	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Experimental; Illicit	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists	COC1=CC(CC(C)N)=CC2=C1OCO2						46506802					MMDA_%28psychedelic%29	CHEMBL126506	
DB01442	MMDA	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	15955613	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33."	Experimental; Illicit	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Serotonin 5-HT2 Receptor Agonists	COC1=CC(CC(C)N)=CC2=C1OCO2						46506802					MMDA_%28psychedelic%29	CHEMBL126506	
DB01452	Diamorphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	20352414; 18343363	"Wee S, Koob GF: The role of the dynorphin-kappa opioid system in the reinforcing effects of drugs of abuse. Psychopharmacology (Berl). 2010 Jun;210(2):121-35. doi: 10.1007/s00213-010-1825-8. Epub 2010 Mar 30.@@Klein G, Juni A, Arout CA, Waxman AR, Inturrisi CE, Kest B: Acute and chronic heroin dependence in mice: contribution of opioid and excitatory amino acid receptors. Eur J Pharmacol. 2008 May 31;586(1-3):179-88. doi: 10.1016/j.ejphar.2008.02.035.  Epub 2008 Feb 19."	Approved; Illicit; Investigational	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Heroin, agonists; Sensory System Agents; Narcotics; Drugs Used in Addictive Disorders; Central Nervous System Depressants; Drugs Used in Opioid Dependence; Alkaloids; Morphine Derivatives; Heterocyclic Compounds, Fused-Ring; Opiate Agonists; Thyroxine-binding globulin inducers; Peripheral Nervous System Agents; Analgesics; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids; Opioids"	[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5		Heroin Metabolism Pathway; Heroin Action Pathway	drug_metabolism; drug_action		8283	46506839	D07286	PA452619			Heroin	CHEMBL459324	3304
DB01454	Midomafetamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	15955613; 17209801; 10773193	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Haughey HM, Brown JM, Wilkins DG, Hanson GR, Fleckenstein AE: Differential effects of methamphetamine on Na(+)/Cl(-)-dependent transporters. Brain Res. 2000 Apr 28;863(1-2):59-65."	Experimental; Illicit; Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	CNC(C)CC1=CC2=C(OCO2)C=C1						46506404		PA131887008			"3,4-Methylenedioxymethamphetamine"	CHEMBL43048	
DB01454	Midomafetamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	negative modulator	10607865; 11756522; 11994534; 12398910; 14700733; 12742084	"Shankaran M, Yamamoto BK, Gudelsky GA: Involvement of the serotonin transporter in the formation of hydroxyl radicals induced by 3,4-methylenedioxymethamphetamine. Eur J Pharmacol. 1999 Dec 3;385(2-3):103-10.@@Whitworth TL, Herndon LC, Quick MW: Psychostimulants differentially regulate serotonin transporter expression in thalamocortical neurons. J Neurosci. 2002 Jan 1;22(1):RC192.@@Szabo Z, McCann UD, Wilson AA, Scheffel U, Owonikoko T, Mathews WB, Ravert HT, Hilton J, Dannals RF, Ricaurte GA: Comparison of (+)-(11)C-McN5652 and (11)C-DASB as serotonin transporter radioligands under various experimental conditions. J Nucl Med. 2002 May;43(5):678-92.@@Boot BP, Mechan AO, McCann UD, Ricaurte GA: MDMA- and p-chlorophenylalanine-induced reduction in 5-HT concentrations: effects on serotonin transporter densities. Eur J Pharmacol. 2002 Oct 25;453(2-3):239-44.@@Saldana SN, Barker EL: Temperature and 3,4-methylenedioxymethamphetamine alter human serotonin transporter-mediated dopamine uptake. Neurosci Lett. 2004 Jan 16;354(3):209-12.@@Bogen IL, Haug KH, Myhre O, Fonnum F: Short- and long-term effects of MDMA (""ecstasy"") on synaptosomal and vesicular uptake of neurotransmitters in vitro and ex vivo. Neurochem Int. 2003 Sep-Oct;43(4-5):393-400."	Experimental; Illicit; Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	CNC(C)CC1=CC2=C(OCO2)C=C1						46506404		PA131887008			"3,4-Methylenedioxymethamphetamine"	CHEMBL43048	
DB01454	Midomafetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	11861820; 1982265; 17209801	"Hansen JP, Riddle EL, Sandoval V, Brown JM, Gibb JW, Hanson GR, Fleckenstein AE: Methylenedioxymethamphetamine decreases plasmalemmal and vesicular dopamine transport: mechanisms and implications for neurotoxicity. J Pharmacol Exp Ther. 2002 Mar;300(3):1093-100.@@Fitzgerald JL, Reid JJ: Effects of methylenedioxymethamphetamine on the release of monoamines from rat brain slices. Eur J Pharmacol. 1990 Nov 27;191(2):217-20.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Experimental; Illicit; Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	CNC(C)CC1=CC2=C(OCO2)C=C1						46506404		PA131887008			"3,4-Methylenedioxymethamphetamine"	CHEMBL43048	
DB01454	Midomafetamine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	7824160; 2871581	"Nash JF, Roth BL, Brodkin JD, Nichols DE, Gudelsky GA: Effect of the R(-) and S(+) isomers of MDA and MDMA on phosphatidyl inositol turnover in cultured cells expressing 5-HT2A or 5-HT2C receptors. Neurosci Lett. 1994 Aug 15;177(1-2):111-5.@@Lyon RA, Glennon RA, Titeler M: 3,4-Methylenedioxymethamphetamine (MDMA): stereoselective interactions at brain 5-HT1 and 5-HT2 receptors. Psychopharmacology (Berl). 1986;88(4):525-6."	Experimental; Illicit; Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Amines; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Amphetamines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Membrane Transport Modulators; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Hallucinogens; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Ethylamines; Adrenergic Agents	CNC(C)CC1=CC2=C(OCO2)C=C1						46506404		PA131887008			"3,4-Methylenedioxymethamphetamine"	CHEMBL43048	
DB01463	Fencamfamin	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	6136281; 16478825	"Seyfried CA: Dopamine uptake inhibiting versus dopamine releasing properties of fencamfamine: an in vitro study. Biochem Pharmacol. 1983 Aug 1;32(15):2329-31.@@Li SM, Campbell BL, Katz JL: Interactions of cocaine with dopamine uptake inhibitors or dopamine releasers in rats discriminating cocaine. J Pharmacol Exp Ther. 2006 Jun;317(3):1088-96. Epub 2006 Feb 14."	Experimental; Illicit; Withdrawn	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Tranquilizing Agents; Psychoanaleptics; Bridged-Ring Compounds; Nervous System; Centrally Acting Sympathomimetics; Central Nervous System Stimulants"	CCNC1C2CCC(C2)C1C1=CC=CC=C1						46508161		PA164747055		DAP001007	Fencamfamine	CHEMBL7010	
DB01472	4-Methoxyamphetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	11041537; 11861820; 1982265; 17209801	"Daws LC, Irvine RJ, Callaghan PD, Toop NP, White JM, Bochner F: Differential behavioural and neurochemical effects of para-methoxyamphetamine and 3,4-methylenedioxymethamphetamine in the rat. Prog Neuropsychopharmacol Biol Psychiatry. 2000 Aug;24(6):955-77.@@Hansen JP, Riddle EL, Sandoval V, Brown JM, Gibb JW, Hanson GR, Fleckenstein AE: Methylenedioxymethamphetamine decreases plasmalemmal and vesicular dopamine transport: mechanisms and implications for neurotoxicity. J Pharmacol Exp Ther. 2002 Mar;300(3):1093-100.@@Fitzgerald JL, Reid JJ: Effects of methylenedioxymethamphetamine on the release of monoamines from rat brain slices. Eur J Pharmacol. 1990 Nov 27;191(2):217-20.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Experimental; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Psychotropic Drugs; Amines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adrenergic alpha-Agonists; Hallucinogens; Phenethylamines; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic alpha-1 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	COC1=CC=C(CC(C)N)C=C1						46507471					4-Methoxyamphetamine	CHEMBL278663	
DB01472	4-Methoxyamphetamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	11041537; 10607865; 11756522; 11994534; 12398910; 14700733; 12742084	"Daws LC, Irvine RJ, Callaghan PD, Toop NP, White JM, Bochner F: Differential behavioural and neurochemical effects of para-methoxyamphetamine and 3,4-methylenedioxymethamphetamine in the rat. Prog Neuropsychopharmacol Biol Psychiatry. 2000 Aug;24(6):955-77.@@Shankaran M, Yamamoto BK, Gudelsky GA: Involvement of the serotonin transporter in the formation of hydroxyl radicals induced by 3,4-methylenedioxymethamphetamine. Eur J Pharmacol. 1999 Dec 3;385(2-3):103-10.@@Whitworth TL, Herndon LC, Quick MW: Psychostimulants differentially regulate serotonin transporter expression in thalamocortical neurons. J Neurosci. 2002 Jan 1;22(1):RC192.@@Szabo Z, McCann UD, Wilson AA, Scheffel U, Owonikoko T, Mathews WB, Ravert HT, Hilton J, Dannals RF, Ricaurte GA: Comparison of (+)-(11)C-McN5652 and (11)C-DASB as serotonin transporter radioligands under various experimental conditions. J Nucl Med. 2002 May;43(5):678-92.@@Boot BP, Mechan AO, McCann UD, Ricaurte GA: MDMA- and p-chlorophenylalanine-induced reduction in 5-HT concentrations: effects on serotonin transporter densities. Eur J Pharmacol. 2002 Oct 25;453(2-3):239-44.@@Saldana SN, Barker EL: Temperature and 3,4-methylenedioxymethamphetamine alter human serotonin transporter-mediated dopamine uptake. Neurosci Lett. 2004 Jan 16;354(3):209-12.@@Bogen IL, Haug KH, Myhre O, Fonnum F: Short- and long-term effects of MDMA (""ecstasy"") on synaptosomal and vesicular uptake of neurotransmitters in vitro and ex vivo. Neurochem Int. 2003 Sep-Oct;43(4-5):393-400."	Experimental; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Psychotropic Drugs; Amines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adrenergic alpha-Agonists; Hallucinogens; Phenethylamines; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic alpha-1 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	COC1=CC=C(CC(C)N)C=C1						46507471					4-Methoxyamphetamine	CHEMBL278663	
DB01472	4-Methoxyamphetamine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Psychotropic Drugs; Amines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adrenergic alpha-Agonists; Hallucinogens; Phenethylamines; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic alpha-1 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	COC1=CC=C(CC(C)N)C=C1						46507471					4-Methoxyamphetamine	CHEMBL278663	
DB01472	4-Methoxyamphetamine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	6103055; 6646243	"Green AL, El Hait MA: p-Methoxyamphetamine, a potent reversible inhibitor of type-A monoamine oxidase in vitro and in vivo. J Pharm Pharmacol. 1980 Apr;32(4):262-6.@@Ask AL, Fagervall I, Ross SB: Selective inhibition of monoamine oxidase in monoaminergic neurons in the rat brain. Naunyn Schmiedebergs Arch Pharmacol. 1983 Sep;324(2):79-87."	Experimental; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Psychotropic Drugs; Amines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Adrenergic alpha-Agonists; Hallucinogens; Phenethylamines; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic alpha-1 Receptor Agonists; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	COC1=CC=C(CC(C)N)C=C1						46507471					4-Methoxyamphetamine	CHEMBL278663	
DB01483	Barbital	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01483	Barbital	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Illicit	Barbituric acid derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Nicotinic Antagonists; Cytochrome P-450 Enzyme Inducers; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anticholinergic Agents; GABA Modulators; Barbiturates; Pyrimidinones; Barbiturates, Plain; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Pyrimidines; Nervous System; Anticonvulsants"	CCC1(CC)C(=O)NC(=O)NC1=O						46508979		PA448538		DAP001350	Barbital	CHEMBL444	1325
DB01489	Camazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics"	CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O						46505921	D07315				Camazepam	CHEMBL1095282	
DB01489	Camazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics"	CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O						46505921	D07315				Camazepam	CHEMBL1095282	
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	11264449; 10209232	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000764	GABRA6	Q16445	GBRA6_HUMAN	potentiator	10209232; 11264449	"Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217.@@Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11264449; 16248797; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Arias HR, Bhumireddy P: Anesthetics as chemical tools to study the structure and function of nicotinic acetylcholine receptors. Curr Protein Pept Sci. 2005 Oct;6(5):451-72.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000829	GRIA2	P42262	GRIA2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01496	"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"	BE0000826	GRIK2	Q13002	GRIK2_HUMAN	antagonist	11264449; 10487207	"Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51.@@Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303."	Experimental; Illicit	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	Anticholinergic Agents; Nicotinic Antagonists	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1						46507405							
DB01497	Etorphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	7739347; 17720886; 16433932	"Niwa M, al-Essa LY, Ohta S, Kohno K, Nozaki M, Tsurumi K, Iwamura T, Kataoka T: Opioid receptor interaction and adenylyl cyclase inhibition of dihydroetorphine: direct comparison with etorphine. Life Sci. 1995;56(21):PL395-400.@@Wannemacher KM, Yadav PN, Howells RD: A select set of opioid ligands induce up-regulation by promoting the maturation and stability of the rat kappa-opioid receptor in human embryonic kidney 293 cells. J Pharmacol Exp Ther. 2007 Nov;323(2):614-25. Epub 2007 Aug 24.@@Gharagozlou P, Hashemi E, DeLorey TM, Clark JD, Lameh J: Pharmacological profiles of opioid ligands at kappa opioid receptors. BMC Pharmacol. 2006 Jan 25;6:3."	Illicit; Vet_approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids"	[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3					20266	46505591				DNC000631	Etorphine		
DB01497	Etorphine	BE0002378	OPRL1	P41146	OPRX_HUMAN	agonist	10688973	"Hawkinson JE, Acosta-Burruel M, Espitia SA: Opioid activity profiles indicate similarities between the nociceptin/orphanin FQ and opioid receptors. Eur J Pharmacol. 2000 Feb 18;389(2-3):107-14."	Illicit; Vet_approved	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids"	[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3					20266	46505591				DNC000631	Etorphine		
DB01511	Delorazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Anticonvulsants"	ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1						46504957	D07784				Delorazepam	CHEMBL268254	
DB01511	Delorazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Anticonvulsants"	ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1						46504957	D07784				Delorazepam	CHEMBL268254	
DB01520	Tenocyclidine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	2538766; 17157509	"Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7.@@Geldenhuys WJ, Malan SF, Bloomquist JR, Van der Schyf CJ: Structure-activity relationships of pentacycloundecylamines at the N-methyl-d-aspartate receptor. Bioorg Med Chem. 2007 Feb 1;15(3):1525-32. Epub 2006 Sep 29."	Experimental; Illicit; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	C1CCN(CC1)C1(CCCCC1)C1=CC=CS1						46505124					Tenocyclidine	CHEMBL279676	
DB01520	Tenocyclidine	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	antagonist	2538766; 17157509	"Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7.@@Geldenhuys WJ, Malan SF, Bloomquist JR, Van der Schyf CJ: Structure-activity relationships of pentacycloundecylamines at the N-methyl-d-aspartate receptor. Bioorg Med Chem. 2007 Feb 1;15(3):1525-32. Epub 2006 Sep 29."	Experimental; Illicit; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	C1CCN(CC1)C1(CCCCC1)C1=CC=CS1						46505124					Tenocyclidine	CHEMBL279676	
DB01520	Tenocyclidine	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	2538766	"Stirling JM, Cross AJ, Green AR: The binding of [3H]thienyl cyclohexylpiperidine ([3H]TCP) to the NMDA-phencyclidine receptor complex. Neuropharmacology. 1989 Jan;28(1):1-7."	Experimental; Illicit; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	C1CCN(CC1)C1(CCCCC1)C1=CC=CS1						46505124					Tenocyclidine	CHEMBL279676	
DB01520	Tenocyclidine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	antagonist	11551210	"Pagan OR, Eterovic VA, Garcia M, Vergne D, Basilio CM, Rodriguez AD, Hann RM: Cembranoid and long-chain alkanol sites on the nicotinic acetylcholine receptor and their allosteric interaction. Biochemistry. 2001 Sep 18;40(37):11121-30."	Experimental; Illicit; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Piperidines; Central Nervous System Agents; Street Drugs; Protective Agents; Illicit Drugs; NMDA Receptor Antagonists; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	C1CCN(CC1)C1(CCCCC1)C1=CC=CS1						46505124					Tenocyclidine	CHEMBL279676	
DB01535	Carfentanil	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	1656846; 15853689	"Mayberg HS, Sadzot B, Meltzer CC, Fisher RS, Lesser RP, Dannals RF, Lever JR, Wilson AA, Ravert HT, Wagner HN Jr, et al.: Quantification of mu and non-mu opiate receptors in temporal lobe epilepsy using positron emission tomography. Ann Neurol. 1991 Jul;30(1):3-11.@@Barry U, Zuo Z: Opioids: old drugs for potential new applications. Curr Pharm Des. 2005;11(10):1343-50."	Illicit; Investigational; Vet_approved	Fentanyls	Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls	Sensory System Agents; Piperidines; Central Nervous System Agents; Central Nervous System Depressants; Carbon Radioisotopes; High-risk opioids; Narcotics; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Peripheral Nervous System Agents; Analgesics; Phenylpiperidine opioids; Opioids	CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC		Carfentanil Action Pathway	drug_action		11176	46505501					Carfentanil	CHEMBL290429	
DB01536	Androstenedione	BE0000592	AKR1C3	P42330	AK1C3_HUMAN	substrate	17139284; 17016423; 27486833	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Adeniji A, Uddin MJ, Zang T, Tamae D, Wangtrakuldee P, Marnett LJ, Penning TM: Discovery of (R)-2-(6-Methoxynaphthalen-2-yl)butanoic Acid as a Potent and Selective Aldo-keto Reductase 1C3 Inhibitor. J Med Chem. 2016 Aug 25;59(16):7431-44. doi: 10.1021/acs.jmedchem.6b00160. Epub 2016 Aug 12."	Experimental; Illicit	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Androstanes; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Testosterone Congeners; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C		Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androstenedione Metabolism	disease; metabolic			46508011	D00051				Androstenedione	CHEMBL274826	784
DB01537	"4-Bromo-2,5-dimethoxyphenethylamine"	BE0000533	HTR2C	P28335	5HT2C_HUMAN	partial agonist	17337633; 15006903	"Moya PR, Berg KA, Gutierrez-Hernandez MA, Saez-Briones P, Reyes-Parada M, Cassels BK, Clarke WP: Functional selectivity of hallucinogenic phenethylamine and phenylisopropylamine derivatives at human 5-hydroxytryptamine (5-HT)2A and 5-HT2C receptors. J Pharmacol Exp Ther. 2007 Jun;321(3):1054-61. Epub 2007 Mar 2.@@Villalobos CA, Bull P, Saez P, Cassels BK, Huidobro-Toro JP: 4-Bromo-2,5-dimethoxyphenethylamine (2C-B) and structurally related phenylethylamines are potent 5-HT2A receptor antagonists in Xenopus laevis oocytes. Br J Pharmacol. 2004 Apr;141(7):1167-74. Epub 2004 Mar 8."	Experimental; Illicit	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Adrenergic Agonists; Serotonin Agents; Amines; Central Nervous System Depressants; Adrenergic alpha-Agonists; Phenethylamines; Neurotransmitter Agents; Antidepressive Agents; Ethylamines; Adrenergic Agents; Adrenergic alpha-1 Receptor Agonists	COC1=CC(Br)=C(OC)C=C1CCN						46504806					"4-Bromo-2,5-dimethoxyphenethylamine"	CHEMBL292821	
DB01544	Flunitrazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; UGT2B7 Inhibitors; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; UGT1A3 Inhibitors; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F						46504553	D01230	PA164781320		DAP000931	Flunitrazepam	CHEMBL13280	4460
DB01544	Flunitrazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Muscle Relaxants, Centrally Acting Agents; Cytochrome P-450 CYP2B6 Substrates; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; UGT2B7 Inhibitors; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; UGT1A3 Inhibitors; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F						46504553	D01230	PA164781320		DAP000931	Flunitrazepam	CHEMBL13280	4460
DB01545	Ethyl loflazepate	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	Alpha amino acid esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2						46507486	D01293				Ethyl_loflazepate	CHEMBL1213460	24524
DB01545	Ethyl loflazepate	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental; Illicit	Alpha amino acid esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2						46507486	D01293				Ethyl_loflazepate	CHEMBL1213460	24524
DB01548	Diprenorphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	20641600	Leung K: [6-O-methyl-11C]Diprenorphine .	Illicit; Vet_approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Alkaloids; Opioid Antagonists; Opiate Alkaloids; Peripheral Nervous System Agents"	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O					20253	46506559					Diprenorphine	CHEMBL281786	
DB01549	Rolicyclidine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN		20641908; 20613880	"Leung K: 4-Acetoxy-7-chloro-3-(3-(-4-[11C]methoxybenzyl)phenyl)-2(1H)-quinolone .@@Yuede CM, Wozniak DF, Creeley CE, Taylor GT, Olney JW, Farber NB: Behavioral consequences of NMDA antagonist-induced neuroapoptosis in the infant mouse brain. PLoS One. 2010 Jun 29;5(6):e11374. doi: 10.1371/journal.pone.0011374."	Experimental; Illicit	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Piperidines	C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1						46507433					Rolicyclidine	CHEMBL1719398	
DB01549	Rolicyclidine	BE0000756	DRD2	P14416	DRD2_HUMAN		19391150	"Seeman P, Guan HC, Hirbec H: Dopamine D2High receptors stimulated by phencyclidines, lysergic acid diethylamide, salvinorin A, and modafinil. Synapse. 2009 Aug;63(8):698-704. doi: 10.1002/syn.20647."	Experimental; Illicit	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Piperidines	C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1						46507433					Rolicyclidine	CHEMBL1719398	
DB01553	Cloxazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,3-oxazolobenzo-1,4-diazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Nervous System; Psycholeptics"	ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1						46505281	D01268				Cloxazolam	CHEMBL2107254	21311
DB01553	Cloxazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,3-oxazolobenzo-1,4-diazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Nervous System; Psycholeptics"	ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1						46505281	D01268				Cloxazolam	CHEMBL2107254	21311
DB01558	Bromazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1					2007	46505694	D01245	PA10035		DAP001035	Bromazepam	CHEMBL277062	1749
DB01558	Bromazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Drugs that are Mainly Renally Excreted; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1					2007	46505694	D01245	PA10035		DAP001035	Bromazepam	CHEMBL277062	1749
DB01559	Clotiazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	Cytochrome P-450 CYP2B6 Substrates; Anti-Anxiety Agents; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates	CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl						46508776	D01328	PA164752437		DAP000932	Clotiazepam	CHEMBL1697737	2622
DB01559	Clotiazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	Cytochrome P-450 CYP2B6 Substrates; Anti-Anxiety Agents; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates	CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl						46508776	D01328	PA164752437		DAP000932	Clotiazepam	CHEMBL1697737	2622
DB01565	Dihydromorphine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	16777416; 19474215; 15178355	"Crooks PA, Kottayil SG, Al-Ghananeem AM, Byrn SR, Butterfield DA: Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4291-5. Epub 2006 Jun 13.@@Dietis N, Guerrini R, Calo G, Salvadori S, Rowbotham DJ, Lambert DG: Simultaneous targeting of multiple opioid receptors: a strategy to improve side-effect profile. Br J Anaesth. 2009 Jul;103(1):38-49. doi: 10.1093/bja/aep129. Epub 2009 May 27.@@Gilbert AK, Hosztafi S, Mahurter L, Pasternak GW: Pharmacological characterization of dihydromorphine, 6-acetyldihydromorphine and dihydroheroin analgesia and their differentiation from morphine. Eur J Pharmacol. 2004 May 25;492(2-3):123-30."	Experimental; Illicit	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Morphine Derivatives; Sensory System Agents; Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Central Nervous System Depressants; Semi-synthetic Opioids; Narcotics; Alkaloids; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics; Opioids"	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O		Dihydromorphine Action Pathway	drug_action			46506587					Dihydromorphine	CHEMBL1500	
DB01567	Fludiazepam	BE0000381	GABRA2	P47869	GBRA2_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0000523	GABRA3	P34903	GBRA3_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0000471	GABRA5	P31644	GBRA5_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0003593	GABRG1	Q8N1C3	GBRG1_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0003594	GABRG3	Q99928	GBRG3_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0002344	GABRB1	P18505	GBRB1_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0002346	GABRB2	P47870	GBRB2_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0002345	GABRB3	P28472	GBRB3_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01567	Fludiazepam	BE0003596	GABRP	O00591	GBRP_HUMAN	potentiator	2857046	"Nakatsuka I, Shimizu H, Asami Y, Katoh T, Hirose A, Yoshitake A: Benzodiazepines and their metabolites: relationship between binding affinity to the benzodiazepine receptor and pharmacological activity. Life Sci. 1985 Jan 14;36(2):113-9."	Experimental; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Muscle Relaxants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Peripheral Nervous System Agents; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F						46507563	D01354	PA164745609		DAP000934	Fludiazepam	CHEMBL13291	
DB01571	3-Methylfentanyl	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	6264594; 8030414; 8576134	"Jin WQ, Xu H, Zhu YC, Fang SN, Xia XL, Huang ZM, Ge BL, Chi ZQ: Studies on synthesis and relationship between analgesic activity and receptor affinity for 3-methyl fentanyl derivatives. Sci Sin. 1981 May;24(5):710-20.@@Wang ZX, Zhu YC, Chen XJ, Ji RY: [Stereoisomers of 3-methylfentanyl: synthesis, absolute configuration and analgesic activity]. Yao Xue Xue Bao. 1993;28(12):905-10.@@Zhu J, Yin J, Law PY, Claude PA, Rice KC, Evans CJ, Chen C, Yu L, Liu-Chen LY: Irreversible binding of cis-(+)-3-methylfentanyl isothiocyanate to the delta opioid receptor and determination of its binding domain. J Biol Chem. 1996 Jan 19;271(3):1430-4."	Illicit	Fentanyls	Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls	Sensory System Agents; Piperidines; Central Nervous System Agents; Peripheral Nervous System Agents; Analgesics	CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1						46509149					3-Methylfentanyl		
DB01576	Dextroamphetamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	17239355; 19727679; 8794928	"Dlugos A, Freitag C, Hohoff C, McDonald J, Cook EH, Deckert J, de Wit H: Norepinephrine transporter gene variation modulates acute response to D-amphetamine. Biol Psychiatry. 2007 Jun 1;61(11):1296-305. Epub 2007 Jan 17.@@Dlugos AM, Hamidovic A, Palmer AA, de Wit H: Further evidence of association between amphetamine response and SLC6A2 gene variants. Psychopharmacology (Berl). 2009 Oct;206(3):501-11. doi: 10.1007/s00213-009-1628-y.@@Burnette WB, Bailey MD, Kukoyi S, Blakely RD, Trowbridge CG, Justice JB Jr: Human norepinephrine transporter kinetics using rotating disk electrode voltammetry. Anal Chem. 1996 Sep 1;68(17):2932-8."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulation; Central Nervous System Stimulants; Amphetamines; Cytochrome P-450 Substrates; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Uptake Inhibitors; Dopamine Agents"	C[C@H](N)CC1=CC=CC=C1					8295	46506252	D03740	PA449269		DAP001470	Dextroamphetamine	CHEMBL612	3288
DB01576	Dextroamphetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	16122767; 7869099; 19244097	"Zhen J, Chen N, Reith ME: Differences in interactions with the dopamine transporter as revealed by diminishment of Na(+) gradient and membrane potential: dopamine versus other substrates. Neuropharmacology. 2005 Nov;49(6):769-79. Epub 2005 Aug 24.@@Kuczenski R, Segal DS, Cho AK, Melega W: Hippocampus norepinephrine, caudate dopamine and serotonin, and behavioral responses to the stereoisomers of amphetamine and methamphetamine. J Neurosci. 1995 Feb;15(2):1308-17.@@Rothman RB, Dersch CM, Ananthan S, Partilla JS: Studies of the biogenic amine transporters. 13. Identification of ""agonist"" and ""antagonist"" allosteric modulators of amphetamine-induced dopamine release. J Pharmacol Exp Ther. 2009 May;329(2):718-28. doi: 10.1124/jpet.108.149088. Epub  2009 Feb 24."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulation; Central Nervous System Stimulants; Amphetamines; Cytochrome P-450 Substrates; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Uptake Inhibitors; Dopamine Agents"	C[C@H](N)CC1=CC=CC=C1					8295	46506252	D03740	PA449269		DAP001470	Dextroamphetamine	CHEMBL612	3288
DB01576	Dextroamphetamine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Illicit	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulation; Central Nervous System Stimulants; Amphetamines; Cytochrome P-450 Substrates; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Uptake Inhibitors; Dopamine Agents"	C[C@H](N)CC1=CC=CC=C1					8295	46506252	D03740	PA449269		DAP001470	Dextroamphetamine	CHEMBL612	3288
DB01577	Metamfetamine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	negative modulator	19897077; 15602501; 15661631; 15764732; 15795321; 15950014; 15728379; 17209801	"Escubedo E, Camarasa J, Chipana C, Garcia-Rates S, Pubill D: Involvement of nicotinic receptors in methamphetamine- and MDMA-induced neurotoxicity: pharmacological implications. Int Rev Neurobiol. 2009;88:121-66. doi: 10.1016/S0074-7742(09)88006-9.@@Lott DC, Kim SJ, Cook EH Jr, de Wit H: Dopamine transporter gene associated with diminished subjective response to amphetamine. Neuropsychopharmacology. 2005 Mar;30(3):602-9.@@Fone KC, Nutt DJ: Stimulants: use and abuse in the treatment of attention deficit hyperactivity disorder. Curr Opin Pharmacol. 2005 Feb;5(1):87-93.@@Miller GM, Verrico CD, Jassen A, Konar M, Yang H, Panas H, Bahn M, Johnson R, Madras BK: Primate trace amine receptor 1 modulation by the dopamine transporter. J Pharmacol Exp Ther. 2005 Jun;313(3):983-94. Epub 2005 Mar 11.@@Garcia BG, Wei Y, Moron JA, Lin RZ, Javitch JA, Galli A: Akt is essential for insulin modulation of amphetamine-induced human dopamine transporter cell-surface redistribution. Mol Pharmacol. 2005 Jul;68(1):102-9. Epub 2005 Mar 28.@@Madras BK, Miller GM, Fischman AJ: The dopamine transporter and attention-deficit/hyperactivity disorder. Biol Psychiatry. 2005 Jun 1;57(11):1397-409. Epub 2005 Jan 5.@@Kahlig KM, Binda F, Khoshbouei H, Blakely RD, McMahon DG, Javitch JA, Galli A: Amphetamine induces dopamine efflux through a dopamine transporter channel. Proc Natl Acad Sci U S A. 2005 Mar 1;102(9):3495-500. Epub 2005 Feb 22.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Approved; Illicit; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN[C@@H](C)CC1=CC=CC=C1						46508541		PA450403		DAP001496	Methamphetamine	CHEMBL1201201	6816
DB01577	Metamfetamine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	negative modulator	17673199; 20226815; 19607959	"Numachi Y, Ohara A, Yamashita M, Fukushima S, Kobayashi H, Hata H, Watanabe H, Hall FS, Lesch KP, Murphy DL, Uhl GR, Sora I: Methamphetamine-induced hyperthermia and lethal toxicity: role of the dopamine and serotonin transporters. Eur J Pharmacol. 2007 Oct 31;572(2-3):120-8. Epub 2007 Jun 27.@@Tellez R, Rocha L, Castillo C, Meneses A: Autoradiographic study of serotonin transporter during memory formation. Behav Brain Res. 2010 Sep 1;212(1):12-26. doi: 10.1016/j.bbr.2010.03.015. Epub 2010 Mar 11.@@Sora I, Li B, Fumushima S, Fukui A, Arime Y, Kasahara Y, Tomita H, Ikeda K: Monoamine transporter as a target molecule for psychostimulants. Int Rev Neurobiol. 2009;85:29-33. doi: 10.1016/S0074-7742(09)85003-4."	Approved; Illicit; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN[C@@H](C)CC1=CC=CC=C1						46508541		PA450403		DAP001496	Methamphetamine	CHEMBL1201201	6816
DB01577	Metamfetamine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	17209801; 15955613	"Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98.@@Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33."	Approved; Illicit; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN[C@@H](C)CC1=CC=CC=C1						46508541		PA450403		DAP001496	Methamphetamine	CHEMBL1201201	6816
DB01577	Metamfetamine	BE0004674	SLC18A1	P54219	VMAT1_HUMAN	inhibitor	15955613; 9587917; 17209801	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Henry JP, Sagne C, Bedet C, Gasnier B: The vesicular monoamine transporter: from chromaffin granule to brain. Neurochem Int. 1998 Mar;32(3):227-46.@@Fleckenstein AE, Volz TJ, Riddle EL, Gibb JW, Hanson GR: New insights into the mechanism of action of amphetamines. Annu Rev Pharmacol Toxicol. 2007;47:681-98."	Approved; Illicit; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN[C@@H](C)CC1=CC=CC=C1						46508541		PA450403		DAP001496	Methamphetamine	CHEMBL1201201	6816
DB01577	Metamfetamine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	15955613; 10799660	"Sulzer D, Sonders MS, Poulsen NW, Galli A: Mechanisms of neurotransmitter release by amphetamines: a review. Prog Neurobiol. 2005 Apr;75(6):406-33.@@Ulus IH, Maher TJ, Wurtman RJ: Characterization of phentermine and related compounds as monoamine oxidase (MAO) inhibitors. Biochem Pharmacol. 2000 Jun 15;59(12):1611-21."	Approved; Illicit; Withdrawn	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Autonomic Agents; Central Nervous System Stimulants; Antidepressive Agents; Amphetamines; Dopamine Uptake Inhibitors; Increased Sympathetic Activity; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Adrenergic Agents; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Amphetamine Anorectic; Peripheral Nervous System Agents; Centrally Acting Sympathomimetics; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Central Nervous System Stimulation; Dopamine Agents; Appetite Suppression; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN[C@@H](C)CC1=CC=CC=C1						46508541		PA450403		DAP001496	Methamphetamine	CHEMBL1201201	6816
DB01579	Phendimetrazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	17139284; 17016423; 16265126; 11054601; 17017961	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bray GA: Drug Insight: appetite suppressants. Nat Clin Pract Gastroenterol Hepatol. 2005 Feb;2(2):89-95.@@Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60.@@Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59."	Approved; Illicit	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Central Nervous System Stimulants; Amphetamines; Adrenergic Agonists; Sympathomimetic Amine Anorectic; Central Nervous System Agents; Increased Sympathetic Activity; Adrenergic alpha-Agonists; Oxazines; Agents that produce hypertension; Agents producing tachycardia; Sympathomimetics; Appetite Suppression; Adrenergic alpha-1 Receptor Agonists	C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1						46506122	D08347	PA450902		DAP000574	Phendimetrazine	CHEMBL1615439	33272
DB01579	Phendimetrazine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	negative modulator	17017961	"Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59."	Approved; Illicit	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Central Nervous System Stimulants; Amphetamines; Adrenergic Agonists; Sympathomimetic Amine Anorectic; Central Nervous System Agents; Increased Sympathetic Activity; Adrenergic alpha-Agonists; Oxazines; Agents that produce hypertension; Agents producing tachycardia; Sympathomimetics; Appetite Suppression; Adrenergic alpha-1 Receptor Agonists	C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1						46506122	D08347	PA450902		DAP000574	Phendimetrazine	CHEMBL1615439	33272
DB01579	Phendimetrazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	17139284; 17016423; 16265126; 11054601; 11752352; 17017961	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Bray GA: Drug Insight: appetite suppressants. Nat Clin Pract Gastroenterol Hepatol. 2005 Feb;2(2):89-95.@@Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59."	Approved; Illicit	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Central Nervous System Stimulants; Amphetamines; Adrenergic Agonists; Sympathomimetic Amine Anorectic; Central Nervous System Agents; Increased Sympathetic Activity; Adrenergic alpha-Agonists; Oxazines; Agents that produce hypertension; Agents producing tachycardia; Sympathomimetics; Appetite Suppression; Adrenergic alpha-1 Receptor Agonists	C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1						46506122	D08347	PA450902		DAP000574	Phendimetrazine	CHEMBL1615439	33272
DB01583	Liotrix	BE0000315	THRB	P10828	THB_HUMAN	agonist	17315033; 12668276; 12776178; 10592235; 16099238; 18816177; 20151830; 16053391; 17016423; 17139284	"Bernal J: Thyroid hormone receptors in brain development and function. Nat Clin Pract Endocrinol Metab. 2007 Mar;3(3):249-59.@@Gonzalez-Sancho JM, Garcia V, Bonilla F, Munoz A: Thyroid hormone receptors/THR genes in human cancer. Cancer Lett. 2003 Mar 31;192(2):121-32.@@Yen PM, Feng X, Flamant F, Chen Y, Walker RL, Weiss RE, Chassande O, Samarut J, Refetoff S, Meltzer PS: Effects of ligand and thyroid hormone receptor isoforms on hepatic gene expression profiles of thyroid hormone receptor knockout mice. EMBO Rep. 2003 Jun;4(6):581-7.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Wu SY, Sadow PM, Refetoff S, Weiss RE: Tissue responses to thyroid hormone in a kindred with resistance to thyroid hormone harboring a commonly occurring mutation in the thyroid hormone receptor beta gene (P453T). J Lab Clin Med. 2005 Aug;146(2):85-94.@@Marazuela M, Nattero L, Moure D, Garcia-Polo I, Figueroa-Vega N, Guijarro C: Thyroid hormone resistance and pituitary enlargement after thyroid ablation in a woman on levothyroxine treatment. Thyroid. 2008 Oct;18(10):1119-23. doi: 10.1089/thy.2007.0375.@@Sivakumar T, Chaidarun S: Resistance to thyroid hormone in a patient with coexisting Graves' disease. Thyroid. 2010 Feb;20(2):213-6. doi: 10.1089/thy.2009.0175.@@Grasberger H, Ringkananont U, Croxson M, Refetoff S: Resistance to thyroid hormone in a patient with thyroid dysgenesis. Thyroid. 2005 Jul;15(7):730-3.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6."	Approved	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"l-Triiodothyronine; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Agents used to treat hypothyroidism; Hormones; Thyroxine-binding globulin substrates; Amino Acids; Thyroid Products; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Pharmaceutical Preparations; Amino Acids, Cyclic; OATP1B3 substrates; Thyronines; Hormones, Hormone Substitutes, and Hormone Antagonists"	[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O						46506203	D00361	PA164748036			Liotrix		
DB01586	Ursodeoxycholic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	partial agonist	15935148	"Campana G, Pasini P, Roda A, Spampinato S: Regulation of ileal bile acid-binding protein expression in Caco-2 cells by ursodeoxycholic acid: role of the farnesoid X receptor. Biochem Pharmacol. 2005 Jun 15;69(12):1755-63."	Approved; Investigational	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	BSEP/ABCB11 inducers; Bile Acids and Salts; Gastrointestinal Agents; Cytochrome P-450 Enzyme Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Cholagogues and Choleretics; Cholelitholytic Agents; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bile and Liver Therapy	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O					952	46508795	D00734	PA451837		DNC000420	Ursodeoxycholic_acid	CHEMBL1551	11065
DB01587	Ketazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP3A4 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System"	CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1					2010	46507008		PA164749385			Ketazolam	CHEMBL2104356	28181
DB01587	Ketazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP3A4 Inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System"	CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1					2010	46507008		PA164749385			Ketazolam	CHEMBL2104356	28181
DB01588	Prazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"GABA Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Tranquilizing Agents; GABA Modulators; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics"	ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1						46505417	D00470	PA164776668		DAP000689	Prazepam	CHEMBL969	8627
DB01588	Prazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"GABA Agents; Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychotropic Drugs; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Tranquilizing Agents; GABA Modulators; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics"	ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1						46505417	D00470	PA164776668		DAP000689	Prazepam	CHEMBL969	8627
DB01589	Quazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP2B6 Inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates"	FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2						46505952	D00457	PA164744373		DAP000690	Quazepam	CHEMBL1200472	35185
DB01589	Quazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Illicit	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP2B6 Inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates"	FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2						46505952	D00457	PA164744373		DAP000690	Quazepam	CHEMBL1200472	35185
DB01590	Everolimus	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	18466433; 20155724; 19774211; 19344392; 20569080; 20531964; 11752352	"Ettenger R, Hoyer PF, Grimm P, Webb N, Loirat C, Mahan JD, Mentser M, Niaudet P, Offner G, Vandamme-Lombaerts R, Hexham JM: Multicenter trial of everolimus in pediatric renal transplant recipients: results at three year. Pediatr Transplant. 2008 Jun;12(4):456-63. doi: 10.1111/j.1399-3046.2007.00832.x.@@Rostaing L, Kamar N: mTOR inhibitor/proliferation signal inhibitors: entering or leaving the field? J Nephrol. 2010 Mar-Apr;23(2):133-42.@@George S, Bukowski RM: Role of everolimus in the treatment of renal cell carcinoma. Ther Clin Risk Manag. 2009 Oct;5(5):699-706. Epub 2009 Sep 15.@@Teachey DT, Grupp SA, Brown VI: Mammalian target of rapamycin inhibitors and their potential role in therapy in leukaemia and other haematological malignancies. Br J Haematol. 2009 Jun;145(5):569-80. doi: 10.1111/j.1365-2141.2009.07657.x. Epub 2009 Mar 16.@@Albert S, Serova M, Dreyer C, Sablin MP, Faivre S, Raymond E: New inhibitors of the mammalian target of rapamycin signaling pathway for cancer. Expert Opin Investig Drugs. 2010 Aug;19(8):919-30. doi: 10.1517/13543784.2010.499121.@@Coppin C: Everolimus: the first approved product for patients with advanced renal cell cancer after sunitinib and/or sorafenib. Biologics. 2010 May 25;4:91-101.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Macrolide lactams	Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; mTOR Inhibitor Immunosuppressant; Cytochrome P-450 CYP3A Inhibitors; Decreased Immunologic Activity; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Selective Immunosuppressants; Lactones; Polyketides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC					13238	46505248	D02714	PA164746311		DAP001223	Everolimus	CHEMBL1908360	141704
DB01591	Solifenacin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 19446545; 20590605; 19029429; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Ito Y, Oyunzul L, Yoshida A, Fujino T, Noguchi Y, Yuyama H, Ohtake A, Suzuki M, Sasamata M, Matsui M, Yamada S: Comparison of muscarinic receptor selectivity of solifenacin and oxybutynin in the bladder and submandibular gland of muscarinic receptor knockout mice. Eur J Pharmacol. 2009 Aug 1;615(1-3):201-6. doi: 10.1016/j.ejphar.2009.04.068. Epub 2009 May 13.@@Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	1-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy"	O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1					18175	46506006	D08522	PA164783810		DAP001129	Solifenacin	CHEMBL1734	322167
DB01591	Solifenacin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	20590605; 19029429	"Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A, Ray A: AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder. Br J Pharmacol. 2010 Jul;160(5):1119-27. doi: 10.1111/j.1476-5381.2010.00752.x.@@Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24."	Approved	1-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy"	O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1					18175	46506006	D08522	PA164783810		DAP001129	Solifenacin	CHEMBL1734	322167
DB01591	Solifenacin	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	19029429	"Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24."	Approved	1-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Cholinergic Agents; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; Tetrahydroisoquinolines; Quinuclidines; Potential QTc-Prolonging Agents; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Urologicals; Agents that produce hypertension; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Neurotransmitter Agents; Drugs Used in Benign Prostatic Hypertrophy"	O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1					18175	46506006	D08522	PA164783810		DAP001129	Solifenacin	CHEMBL1734	322167
DB01592	Iron	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN	cofactor	16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01592	Iron	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Supplements; Physiological Phenomena; Metals; Antianemic Preparations; Diet, Food, and Nutrition; Transition Elements; Blood and Blood Forming Organs; Elements; Iron Compounds; Food; Trace Elements; Iron Preparations; Antianemia Drugs; Metals, Heavy; Alimentary Tract and Metabolism; Micronutrients"	[Fe]		"Cerivastatin Action Pathway; Oxidation of Branched-Chain Fatty Acids; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Galactosemia III; Smith-Lemli-Opitz Syndrome (SLOS); Tyrosine Metabolism; Zellweger Syndrome; Hereditary Coproporphyria (HCP); Hypercholesterolemia; Glucose-6-phosphate Dehydrogenase Deficiency; Mevalonic Aciduria; Porphyrin Metabolism; Tryptophan Metabolism; Taurine and Hypotaurine Metabolism; Pentose Phosphate Pathway; Inositol Metabolism; Catecholamine Biosynthesis; Phenylketonuria; Vitamin A Deficiency; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cystinosis, Ocular Nonnephropathic; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Lovastatin Action Pathway; Nucleotide Sugars Metabolism; Aromatic L-Aminoacid Decarboxylase Deficiency; Cysteine Metabolism; Galactose Metabolism; The Oncogenic Action of Fumarate"	disease; metabolic; drug_action		2080	46509190		PA450087		DAP001313	Iron		262150
DB01593	Zinc	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005807	ENO1	P06733	ENOA_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000720	GAPDHS	O14556	G3PT_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0002467	P4HB	P07237	PDIA1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005844	PRDX1	Q06830	PRDX1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0004590	PSPH	P78330	SERB_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0004542	TUFM	P49411	EFTU_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000123	ESR1	P03372	ESR1_HUMAN	cofactor	14640689	"Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	cofactor	16439135	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0003523	HDAC4	P56524	HDAC4_HUMAN	cofactor	16439135	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0002390	SOD1	P00441	SODC_HUMAN		16583143	"Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN	cofactor	16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000433	GLRA1	P23415	GLRA1_HUMAN		16842826	"Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005835	UTRN	P46939	UTRO_HUMAN		17009962	"Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0008994	TP73	O15350	P73_HUMAN	cofactor	17170001	"Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005812	PDCD6	O75340	PDCD6_HUMAN		18997320	"Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009047	A1BG	P04217	A1BG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000910	A2M	P01023	A2MG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005852	APOBR	Q0VD83	APOBR_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0003455	C3	P01024	CO3_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000855	C5	P01031	CO5_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009053	CFH	P08603	CFAH_HUMAN		21396937	"Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011  Mar 17."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009054	CFI	P05156	CFAI_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0001140	CP	P00450	CERU_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0001180	FN1	P02751	FINC_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0004161	GSN	P06396	GELS_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009077	HRNR	Q86YZ3	HORN_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009060	ITIH2	P19823	ITIH2_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009081	ITIH3	Q06033	ITIH3_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009084	JUP	P14923	PLAK_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0002440	KLKB1	P03952	KLKB1_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009062	KRT10	P13645	K1C10_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009085	KRT14	P02533	K1C14_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009086	KRT16	P08779	K1C16_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009087	KRT5	P13647	K2C5_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0009064	KRT9	P35527	K1C9_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0005533	SEPP1	P49908	SEPP1_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000209	SERPINA6	P08185	CBG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0000337	TTR	P02766	TTHY_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0003392	APP	P05067	A4_HUMAN	cofactor	24855651	"Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01593	Zinc	BE0001717	PARP1	P09874	PARP1_HUMAN		25549802	"Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB01594	Cinolazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics"	OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O						46508803	D07328	PA164748034		DAP001250	Cinolazepam	CHEMBL2104926	
DB01594	Cinolazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics"	OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O						46508803	D07328	PA164748034		DAP001250	Cinolazepam	CHEMBL2104926	
DB01595	Nitrazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1					9558	46505806	D00531	PA10242		DAP000691	Nitrazepam	CHEMBL13209	7440
DB01595	Nitrazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1					9558	46505806	D00531	PA10242		DAP000691	Nitrazepam	CHEMBL13209	7440
DB01595	Nitrazepam	BE0000141	SCN1A	P35498	SCN1A_HUMAN	other/unknown	2450203	"McLean MJ, Macdonald RL: Benzodiazepines, but not beta carbolines, limit high frequency repetitive firing of action potentials of spinal cord neurons in cell culture. J Pharmacol Exp Ther. 1988 Feb;244(2):789-95."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1					9558	46505806	D00531	PA10242		DAP000691	Nitrazepam	CHEMBL13209	7440
DB01599	Probucol	BE0000119	ABCA1	O95477	ABCA1_HUMAN	inhibitor	15514211; 19075491; 20075420; 1868500; 19427182; 19458386	"Favari E, Zanotti I, Zimetti F, Ronda N, Bernini F, Rothblat GH: Probucol inhibits ABCA1-mediated cellular lipid efflux. Arterioscler Thromb Vasc Biol. 2004 Dec;24(12):2345-50. Epub 2004 Oct 28.@@Yamamoto A: A uniqe antilipidemic drug--probucol. J Atheroscler Thromb. 2008 Dec;15(6):304-5. Epub 2008 Dec 11.@@de la Llera-Moya M, Drazul-Schrader D, Asztalos BF, Cuchel M, Rader DJ, Rothblat GH: The ability to promote efflux via ABCA1 determines the capacity of serum specimens with similar high-density lipoprotein cholesterol to remove cholesterol from macrophages. Arterioscler Thromb Vasc Biol. 2010 Apr;30(4):796-801. doi: 10.1161/ATVBAHA.109.199158. Epub 2010 Jan 14.@@Sirtori CR, Manzoni C, Lovati MR: Mechanisms of lipid-lowering agents. Cardiology. 1991;78(3):226-35.@@Shichiri M, Takanezawa Y, Rotzoll DE, Yoshida Y, Kokubu T, Ueda K, Tamai H, Arai H: ATP-binding cassette transporter A1 is involved in hepatic alpha-tocopherol secretion. J Nutr Biochem. 2010 May;21(5):451-6. doi: 10.1016/j.jnutbio.2009.02.002. Epub 2009 May 7.@@Arakawa R, Tsujita M, Iwamoto N, Ito-Ohsumi C, Lu R, Wu CA, Shimizu K, Aotsuka T, Kanazawa H, Abe-Dohmae S, Yokoyama S: Pharmacological inhibition of ABCA1 degradation increases HDL biogenesis and exhibits antiatherogenesis. J Lipid Res. 2009 Nov;50(11):2299-305. doi: 10.1194/jlr.M900122-JLR200. Epub 2009 May 20."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Antioxidants; Biological Factors; QTc Prolonging Agents; Lipid Modifying Agents, Plain; Phenols; Anticholesteremic Agents; Protective Agents; Moderate Risk QTc-Prolonging Agents; Benzene Derivatives; Lipid Modifying Agents; Hypolipidemic Agents; Lipid Regulating Agents; Compounds used in a research, industrial, or household setting"	CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C					2169	46508876	D00476	PA451107		DAP000916	Probucol	CHEMBL608	8699
DB01608	Periciazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Antipsychotic Agents; Phenothiazines; Phenothiazines With Piperidine Structure; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Central Nervous System Depressants; Adrenergic Antagonists; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Sulfur Compounds; Agents that produce hypertension; Adrenergic alpha-Antagonists; Dopamine Antagonists; Psycholeptics; Neurotoxic agents"	OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1					13098	46505085	D01485	PA164781043		DAP000413	Propericiazine	CHEMBL251940	8766
DB01611	Hydroxychloroquine	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN	antagonist	18220957; 14579285	"Sun S, Rao NL, Venable J, Thurmond R, Karlsson L: TLR7/9 antagonists as therapeutics for immune-mediated inflammatory disorders. Inflamm Allergy Drug Targets. 2007 Dec;6(4):223-35.@@Trevani AS, Chorny A, Salamone G, Vermeulen M, Gamberale R, Schettini J, Raiden S, Geffner J: Bacterial DNA activates human neutrophils by a CpG-independent pathway. Eur J Immunol. 2003 Nov;33(11):3164-74."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Aminoquinolines; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Immunosuppressive Agents; Anti-Infective Agents; Antirheumatic Agents; Quinolines"	CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1					6506	46508459	D08050	PA164777036		DAP000878	Hydroxychloroquine	CHEMBL1535	5521
DB01611	Hydroxychloroquine	BE0000982	ACE2	Q9BYF1	ACE2_HUMAN	modulator	16115318	"Vincent MJ, Bergeron E, Benjannet S, Erickson BR, Rollin PE, Ksiazek TG, Seidah NG, Nichol ST: Chloroquine is a potent inhibitor of SARS coronavirus infection and spread. Virol J. 2005 Aug 22;2:69. doi: 10.1186/1743-422X-2-69."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Photosensitizing Agents; Antiprotozoals; Antimalarials; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Aminoquinolines; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Immunosuppressive Agents; Anti-Infective Agents; Antirheumatic Agents; Quinolines"	CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1					6506	46508459	D08050	PA164777036		DAP000878	Hydroxychloroquine	CHEMBL1535	5521
DB01613	Erythrityl tetranitrate	BE0000997	NPR2	P20594	ANPRB_HUMAN	agonist	17139284; 17016423; 19406636	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lange K, Koenig A, Roegler C, Seeling A, Lehmann J: NO donors. Part 18: Bioactive metabolites of GTN and PETN--synthesis and vasorelaxant properties. Bioorg Med Chem Lett. 2009 Jun 1;19(11):3141-4. doi: 10.1016/j.bmcl.2008.04.057.  Epub 2008 Apr 26."	Approved; Experimental; Investigational	Alkyl nitrates	Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic nitrates	Cardiovascular Agents; Sugar Alcohols; Vasodilators Used in Cardiac Diseases; Organic Nitrates; Cardiac Therapy; Carbohydrates; Vasodilating Agents; Nitrates; Alcohols; Antianginal Agents	[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O						46508990		PA164746528		DAP001060	Erythrityl_Tetranitrate	CHEMBL2107583	4040
DB01614	Acepromazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11103886; 11873706; 15694263; 16867246; 11752352; 20643630	"Oades RD, Rao ML, Bender S, Sartory G, Muller BW: Neuropsychological and conditioned blocking performance in patients with schizophrenia: assessment of the contribution of neuroleptic dose, serum levels and dopamine D2-receptor occupancy. Behav Pharmacol. 2000 Jun;11(3-4):317-30.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Wu S, Xing Q, Gao R, Li X, Gu N, Feng G, He L: Response to chlorpromazine treatment may be associated with polymorphisms of the DRD2 gene in Chinese schizophrenic patients. Neurosci Lett. 2005 Mar 7;376(1):1-4. Epub 2004 Dec 2.@@Wu SN, Gao R, Xing QH, Li HF, Shen YF, Gu NF, Feng GY, He L: Association of DRD2 polymorphisms and chlorpromazine-induced extrapyramidal syndrome in Chinese schizophrenic patients. Acta Pharmacol Sin. 2006 Aug;27(8):966-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5."	Experimental; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O					8036	46508205	D07065	PA164783999			Acepromazine	CHEMBL39560	155
DB01614	Acepromazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Experimental; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O					8036	46508205	D07065	PA164783999			Acepromazine	CHEMBL39560	155
DB01614	Acepromazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Experimental; Vet_approved	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2A Receptor Antagonists; Phenothiazines With Aliphatic Side-Chain; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Dopamine Agents"	CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O					8036	46508205	D07065	PA164783999			Acepromazine	CHEMBL39560	155
DB01615	Aceprometazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 4406367; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Mercier J, Dessaigne S, Menguy A, Manez J: Electro-encephalographic study on the action of the combination meprobamate-aceprometazine on various cerebral systems. Arzneimittelforschung. 1974 Feb;24(2):163-6.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Antipsychotic Agents; Phenothiazines; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; QTc Prolonging Agents; Histamine Antagonists; Tranquilizing Agents; Neurotransmitter Agents; Histamine H1 Antagonists; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Dopamine Antagonists; Dopamine Agents; Neurotoxic agents"	CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C						46506646		PA164743727		DAP001075	Aceprometazine	CHEMBL2104054	161203
DB01618	Molindone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17016423; 9577836; 9353417; 9342550; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Seeman P, Tallerico T: Antipsychotic drugs which elicit little or no parkinsonism bind more loosely than dopamine to brain D2 receptors, yet occupy high levels of these receptors. Mol Psychiatry. 1998 Mar;3(2):123-34.@@Lidow MS, Goldman-Rakic PS: Differential regulation of D2 and D4 dopamine receptor mRNAs in the primate cerebral cortex vs. neostriatum: effects of chronic treatment with typical and atypical antipsychotic drugs. J Pharmacol Exp Ther. 1997 Nov;283(2):939-46.@@Froimowitz M, Cody V: The incorporation of butyrophenones and related compounds into a pharmacophore for dopamine D2 antagonists. Drug Des Discov. 1997 Aug;15(2):63-81.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Indoles and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Serotonin Receptor Antagonists; Indoles; Serotonin 5-HT1A Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Indole Derivatives; Nervous System"	CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2						46504744	D08226	PA164746756		DAP000979	Molindone	CHEMBL460	7019
DB01619	Phenindamine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17016423; 7650688; 1360991; 1686618; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@ter Laak AM, Venhorst J, Donne-Op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. A stereoselective pharmacophoric model based upon (semi-)rigid H1-antagonists and including a known interaction site on the receptor. J Med Chem. 1995 Aug 18;38(17):3351-60.@@Witek TJ Jr, Canestrari DA, Miller RD, Yang JY, Riker DK: The effects of phenindamine tartrate on sleepiness and psychomotor performance. J Allergy Clin Immunol. 1992 Dec;90(6 Pt 1):953-61.@@van Drooge MJ, Donne-op den Kelder GM, Timmerman H: The histamine H1-receptor antagonist binding site. Part I: Active conformation of cyproheptadine. J Comput Aided Mol Des. 1991 Aug;5(4):357-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes	Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine Agents	CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1		Phenindamine H1-Antihistamine Action	drug_action			46508187	D08353	PA164750491		DAP001073	Phenindamine	CHEMBL278398	33283
DB01620	Pheniramine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	inverse agonist	22918191	"Wade L, Bielory L, Rudner S: Ophthalmic antihistamines and H1-H4 receptors. Curr Opin Allergy Clin Immunol. 2012 Oct;12(5):510-6. doi: 10.1097/ACI.0b013e328357d3ba."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Potential QTc-Prolonging Agents; Anti-Allergic Agents; QTc Prolonging Agents; Histamine Antagonists; Antipruritics; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Dermatologicals; Antihistamines for Topical Use; Histamine Agents; Pyridines; Histamine H1 Inverse Agonists"	CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1		Pheniramine H1-Antihistamine Action	drug_action		6895	46505932		PA164744506		DAP001063	Pheniramine	CHEMBL1193	8132
DB01620	Pheniramine	BE0000442	HRH1	P35367	HRH1_HUMAN	inverse agonist	17016423; 2567596; 7714410; 11526976; 8835636; 20027159; 14506317; 11752352	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Leurs R, Bast A, Timmerman H: High affinity, saturable [3H]mepyramine binding sites on rat liver plasma membrane do not represent histamine H1-receptors. A warning. Biochem Pharmacol. 1989 Jul 1;38(13):2175-80.@@Yanni JM, Stephens DJ, Parnell DW, Spellman JM: Preclinical efficacy of emedastine, a potent, selective histamine H1 antagonist for topical ocular use. J Ocul Pharmacol. 1994 Winter;10(4):665-75.@@Nath C, Gupta MB: Role of central histaminergic system in lorazepam withdrawal syndrome in rats. Pharmacol Biochem Behav. 2001 Apr;68(4):777-82.@@Karadag CH, Ulugol A, Dokmeci D, Dokmeci I: The role of histamine H1-receptors in the anticonvulsive effect of morphine against maximal electroconvulsive shock in mice. Jpn J Pharmacol. 1996 Jun;71(2):109-12.@@Nosal R, Drabikova K, Jancinova V, Moravcova J, Lojek A, Ciz M, Macickova T, Pecivova J: H1-antihistamines and oxidative burst of professional phagocytes. Neuro Endocrinol Lett. 2009;30 Suppl 1:133-6.@@Gepdiremen A, Buyukokuroglu ME, Hacimuftuoglu A, Suleyman H: Contribution of the histaminergic receptor subtypes to histamine-induced cerebellar granular neurotoxicity. Pol J Pharmacol. 2003 May-Jun;55(3):383-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Pheniramines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines	"Potential QTc-Prolonging Agents; Anti-Allergic Agents; QTc Prolonging Agents; Histamine Antagonists; Antipruritics; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Dermatologicals; Antihistamines for Topical Use; Histamine Agents; Pyridines; Histamine H1 Inverse Agonists"	CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1		Pheniramine H1-Antihistamine Action	drug_action		6895	46505932		PA164744506		DAP001063	Pheniramine	CHEMBL1193	8132
DB01621	Pipotiazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11103886; 11873706; 15694263; 16867246; 11752352; 20643630; 2875894	"Oades RD, Rao ML, Bender S, Sartory G, Muller BW: Neuropsychological and conditioned blocking performance in patients with schizophrenia: assessment of the contribution of neuroleptic dose, serum levels and dopamine D2-receptor occupancy. Behav Pharmacol. 2000 Jun;11(3-4):317-30.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Wu S, Xing Q, Gao R, Li X, Gu N, Feng G, He L: Response to chlorpromazine treatment may be associated with polymorphisms of the DRD2 gene in Chinese schizophrenic patients. Neurosci Lett. 2005 Mar 7;376(1):1-4. Epub 2004 Dec 2.@@Wu SN, Gao R, Xing QH, Li HF, Shen YF, Gu NF, Feng GY, He L: Association of DRD2 polymorphisms and chlorpromazine-induced extrapyramidal syndrome in Chinese schizophrenic patients. Acta Pharmacol Sin. 2006 Aug;27(8):966-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5.@@Boireau A, Chambry J, Dubedat P, Farges G, Carruette AM, Zundel JL, Blanchard JC: Enhancing effect of dopamine blockers on evoked acetylcholine release in rat striatal slices: a classical D-2 antagonist response? Eur J Pharmacol. 1986 Aug 22;128(1-2):93-8."	Approved; Investigational	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; Phenothiazines With Piperidine Structure; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Serotonin Agents; Nervous System; Sulfur Compounds"	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1					7968	46508263	D08385	PA10158			Pipotiazine	CHEMBL398880	8348
DB01622	Thioproperazine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11103886; 11873706; 15694263; 16867246; 11752352; 20643630	"Oades RD, Rao ML, Bender S, Sartory G, Muller BW: Neuropsychological and conditioned blocking performance in patients with schizophrenia: assessment of the contribution of neuroleptic dose, serum levels and dopamine D2-receptor occupancy. Behav Pharmacol. 2000 Jun;11(3-4):317-30.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Wu S, Xing Q, Gao R, Li X, Gu N, Feng G, He L: Response to chlorpromazine treatment may be associated with polymorphisms of the DRD2 gene in Chinese schizophrenic patients. Neurosci Lett. 2005 Mar 7;376(1):1-4. Epub 2004 Dec 2.@@Wu SN, Gao R, Xing QH, Li HF, Shen YF, Gu NF, Feng GY, He L: Association of DRD2 polymorphisms and chlorpromazine-induced extrapyramidal syndrome in Chinese schizophrenic patients. Acta Pharmacol Sin. 2006 Aug;27(8):966-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5."	Experimental	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Nervous System; Sulfur Compounds"	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1					7999	46507111	D08585	PA164754875			Thioproperazine	CHEMBL609109	10498
DB01622	Thioproperazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Experimental	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Nervous System; Sulfur Compounds"	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1					7999	46507111	D08585	PA164754875			Thioproperazine	CHEMBL609109	10498
DB01622	Thioproperazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	15695070	"Cahir M, King DJ: Antipsychotics lack alpha 1A/B adrenoceptor subtype selectivity in the rat. Eur Neuropsychopharmacol. 2005 Mar;15(2):231-4."	Experimental	Phenothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines	"Phenothiazines; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Phenothiazines With Piperazine Structure; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Nervous System; Sulfur Compounds"	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1					7999	46507111	D08585	PA164754875			Thioproperazine	CHEMBL609109	10498
DB01623	Thiothixene	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	3039860; 11103886; 11873706; 15694263; 16867246; 11752352; 20643630	"Shultz PJ, Sedor JR, Abboud HE: Dopaminergic stimulation of cAMP accumulation in cultured rat mesangial cells. Am J Physiol. 1987 Aug;253(2 Pt 2):H358-64.@@Oades RD, Rao ML, Bender S, Sartory G, Muller BW: Neuropsychological and conditioned blocking performance in patients with schizophrenia: assessment of the contribution of neuroleptic dose, serum levels and dopamine D2-receptor occupancy. Behav Pharmacol. 2000 Jun;11(3-4):317-30.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Wu S, Xing Q, Gao R, Li X, Gu N, Feng G, He L: Response to chlorpromazine treatment may be associated with polymorphisms of the DRD2 gene in Chinese schizophrenic patients. Neurosci Lett. 2005 Mar 7;376(1):1-4. Epub 2004 Dec 2.@@Wu SN, Gao R, Xing QH, Li HF, Shen YF, Gu NF, Feng GY, He L: Association of DRD2 polymorphisms and chlorpromazine-induced extrapyramidal syndrome in Chinese schizophrenic patients. Acta Pharmacol Sin. 2006 Aug;27(8):966-70.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Seeman P: Dopamine D2 receptors as treatment targets in schizophrenia. Clin Schizophr Relat Psychoses. 2010 Apr;4(1):56-73. doi: 10.3371/CSRP.4.1.5."	Approved	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Xanthenes; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Cytochrome P-450 CYP1A2 Substrates; Dopamine Agents"	CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1					10039	46505564	D00374	PA451669		DAP000318	Tiotixene	CHEMBL1201	10510
DB01624	Zuclopenthixol	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17535043; 1822319; 8748043; 11752352	"Gareri P, De Fazio P, Stilo M, Ferreri G, De Sarro G: Conventional and atypical antipsychotics in the elderly : a review. Clin Drug Investig. 2003;23(5):287-322.@@Lublin H, Gerlach J, Hagert U, Meidahl B, Molbjerg C, Pedersen V, Rendtorff C, Tolvanen E: Zuclopenthixol, a combined dopamine D1/D2 antagonist, versus haloperidol, a dopamine D2 antagonist, in tardive dyskinesia. Eur Neuropsychopharmacol. 1991 Dec;1(4):541-8.@@Nyberg S, Farde L, Bartfai A, Halldin C: Central D2 receptor occupancy and effects of zuclopenthixol acetate in humans. Int Clin Psychopharmacol. 1995 Nov;10(4):221-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Xanthenes; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1					190	46507341	D03556	PA452629		DAP000845	Zuclopenthixol	CHEMBL53904	114176
DB01624	Zuclopenthixol	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	12957216	Khalifa AE: Zuclopenthixol facilitates memory retrieval in rats: possible involvement of noradrenergic and serotonergic mechanisms. Pharmacol Biochem Behav. 2003 Jul;75(4):755-62.	Approved; Investigational	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Xanthenes; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1					190	46507341	D03556	PA452629		DAP000845	Zuclopenthixol	CHEMBL53904	114176
DB01624	Zuclopenthixol	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist			Approved; Investigational	Thioxanthenes	Organic compounds; Organoheterocyclic compounds; Benzothiopyrans; 1-benzothiopyrans	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thioxanthene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (First Generation [Typical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Xanthenes; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Thioxanthenes; Dopamine Agents"	OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1					190	46507341	D03556	PA452629		DAP000845	Zuclopenthixol	CHEMBL53904	114176
DB01625	Isopropamide	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	3580704; 29133	"Eglen RM, Whiting RL: Competitive and non-competitive antagonism exhibited by 'selective' antagonists at atrial and ileal muscarinic receptor subtypes. Br J Pharmacol. 1987 Apr;90(4):701-7.@@Lane MA: Muscarinic cholinergic activation of mouse spleen cells cytotoxic to tumor cells in vitro. J Natl Cancer Inst. 1978 Sep;61(3):923-6."	Approved; Vet_approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Nitrogen Compounds; Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Onium Compounds; Amines; Drugs for Functional Gastrointestinal Disorders; Ammonium Compounds; Agents producing tachycardia; Alimentary Tract and Metabolism"	CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C					6708	46507726		PA164781398			Isopropamide	CHEMBL1201232	89784
DB01626	Pargyline	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	1794016; 9673855; 12199263; 16034956; 6441926; 7995016; 11978145; 16641841; 17715422; 19300583; 17823646; 19542488; 9564606; 477738	"Chrisp P, Mammen GJ, Sorkin EM: Selegiline. A review of its pharmacology, symptomatic benefits and protective potential in Parkinson's disease. Drugs Aging. 1991 May;1(3):228-48.@@Heinonen EH, Myllyla V: Safety of selegiline (deprenyl) in the treatment of Parkinson's disease. Drug Saf. 1998 Jul;19(1):11-22.@@Authors unspecified: Selegiline: a second look. Six years later: too risky in Parkinson's disease. Prescrire Int. 2002 Aug;11(60):108-11.@@Macleod AD, Counsell CE, Ives N, Stowe R: Monoamine oxidase B inhibitors for early Parkinson's disease. Cochrane Database Syst Rev. 2005 Jul 20;(3):CD004898.@@Magyar K, Tothfalusi L: Pharmacokinetic aspects of deprenyl effects. Pol J Pharmacol Pharm. 1984 Jul-Aug;36(4):373-84.@@Heinonen EH, Anttila MI, Lammintausta RA: Pharmacokinetic aspects of l-deprenyl (selegiline) and its metabolites. Clin Pharmacol Ther. 1994 Dec;56(6 Pt 2):742-9.@@Deleu D, Northway MG, Hanssens Y: Clinical pharmacokinetic and pharmacodynamic properties of drugs used in the treatment of Parkinson's disease. Clin Pharmacokinet. 2002;41(4):261-309.@@Patkar AA, Pae CU, Masand PS: Transdermal selegiline: the new generation of monoamine oxidase inhibitors. CNS Spectr. 2006 May;11(5):363-75.@@Azzaro AJ, Ziemniak J, Kemper E, Campbell BJ, VanDenBerg C: Pharmacokinetics and absolute bioavailability of selegiline following treatment of healthy subjects with the selegiline transdermal system (6 mg/24 h): a comparison with oral selegiline capsules. J Clin Pharmacol. 2007 Oct;47(10):1256-67. Epub 2007 Aug 22.@@Lee KC, Chen JJ: Transdermal selegiline for the treatment of major depressive disorder. Neuropsychiatr Dis Treat. 2007;3(5):527-37.@@Baker GB, Sowa B, Todd KG: Amine oxidases and their inhibitors: what can they tell us about neuroprotection and the development of drugs for neuropsychiatric disorders? J Psychiatry Neurosci. 2007 Sep;32(5):313-5.@@Villeneuve C, Caudrillier A, Ordener C, Pizzinat N, Parini A, Mialet-Perez J: Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8. doi: 10.1152/ajpheart.00345.2009. Epub 2009 Jun 19.@@Murphy DL, Karoum F, Pickar D, Cohen RM, Lipper S, Mellow AM, Tariot PN, Sunderland T: Differential trace amine alterations in individuals receiving acetylenic inhibitors of MAO-A (clorgyline) or MAO-B (selegiline and pargyline). J Neural Transm Suppl. 1998;52:39-48.@@Fuentes JA, Ordaz A, Neff NH: Central mediation of the antihypertensive effect of pargyline in spontaneously hypertensive rats. Eur J Pharmacol. 1979 Jul 15;57(1):21-7."	Approved	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Benzylamines; Cardiovascular Agents; Monoamine Oxidase Inhibitors; Amines; Agents that reduce seizure threshold; Central Nervous System Depressants; Enzyme Inhibitors; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Antihypertensive Agents; Benzyl Compounds; Agents that produce hypertension; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Antidepressive Agents; MAO Inhibitors and Diuretics	CN(CC#C)CC1=CC=CC=C1						46507368	D08453	PA450797		DAP000580	Pargyline	CHEMBL673	7930
DB01629	5-fluorouridine	BE0002390	SOD1	P00441	SODC_HUMAN		23612299	"Wright GS, Antonyuk SV, Kershaw NM, Strange RW, Samar Hasnain S: Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750."	Experimental	Pyrimidine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides"	"Fluorouracil and prodrugs; Ribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Thyroxine-binding globulin inducers; Pyrimidine Nucleosides"	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O						46504520						CHEMBL54918	
DB01630	SC-74020	BE0000642	MMP2	P08253	MMP2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Amines; Sulfones; Hydroxy Acids; Hydroxylamines; Sulfur Compounds; Amides	CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO						46508106						CHEMBL1233506	
DB01632	5-O-phosphono-alpha-D-ribofuranosyl diphosphate	BE0000077	HPRT1	P00492	HPRT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental; Investigational	Pentose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Carbohydrates; Pentosephosphates	O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O		Lesch-Nyhan Syndrome (LNS); 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Dihydropyrimidinase Deficiency; Molybdenum Cofactor Deficiency; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Purine Nucleoside Phosphorylase Deficiency; Ribose-5-phosphate Isomerase Deficiency; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Thioguanine Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Glucose-6-phosphate Dehydrogenase Deficiency; Hyperinsulinism-Hyperammonemia Syndrome; UMP Synthase Deficiency (Orotic Aciduria); Pentose Phosphate Pathway; Nicotinate and Nicotinamide Metabolism; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Pyrimidine Metabolism; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Purine Metabolism; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency	disease; metabolic; drug_action			46506467							
DB01640	"6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one"	BE0001223	PDE3B	Q13370	PDE3B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				C[C@@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC(I)=CC=C3)C(=O)CCC2)C=C1						46508247							
DB01644	"3,6-dihydroxy-xanthene-9-propionic acid"	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthenes	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans		OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2						46507003							
DB01645	Genistein	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0005001	ESRRB	O95718	ERR2_HUMAN	agonist	14638870	"Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		21053930	"Shimada T, Tanaka K, Takenaka S, Murayama N, Martin MV, Foroozesh MK, Yamazaki H, Guengerich FP, Komori M: Structure-function relationships of inhibition of human cytochromes P450 1A1, 1A2, 1B1, 2C9, and 3A4 by 33 flavonoid derivatives. Chem Res Toxicol. 2010 Dec 20;23(12):1921-35. doi: 10.1021/tx100286d."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0000792	ESR2	Q92731	ESR2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0000871	PTK2B	Q14289	FAK2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01645	Genistein	BE0001195	CFTR	P13569	CFTR_HUMAN	activator	14719993	Roomans GM: Pharmacological approaches to correcting the ion transport defect in cystic fibrosis. Am J Respir Med. 2003;2(5):413-31. doi: 10.1007/BF03256668.	Investigational	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Enzyme Inhibitors; Phytoestrogens; Protective Agents; Pyrans; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Isoflavones; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Hormones; P-glycoprotein inhibitors; Chromones; Anticarcinogenic Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Inducers (weak); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O						46509060		PA165109660		DCL000330	Genistein	CHEMBL44	25696
DB01647	Daxalipram	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles		CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1						46506137						CHEMBL603830	
DB01656	Roflumilast	BE0009963	PDE4A	Q08499	PDE4D_HUMAN	inhibitor	20689641	"Giembycz MA, Field SK: Roflumilast: first phosphodiesterase 4 inhibitor approved for treatment of COPD. Drug Des Devel Ther. 2010 Jul 21;4:147-58. doi: 10.2147/dddt.s7667."	Approved	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Phosphodiesterase 4 Inhibitors; Cycloparaffins; Amines; Cytochrome P-450 Substrates; Benzoates; Acids, Carbocyclic; Agents to Treat Airway Disease; Pyridines; Cytochrome P-450 CYP3A Substrates; Amides; Drugs for Obstructive Airway Diseases; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs that are Mainly Renally Excreted; Phosphodiesterase Inhibitors"	FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl					20639	175426853	D05744	PA165948052			Roflumilast	CHEMBL193240	1091836
DB01664	(S)-DES-ME-AMPA	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CC1=CONC1=O)C(O)=O						46508987							
DB01666	D-Myo-Inositol-Hexasulphate	BE0004526	FST	P19883	FST_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]1(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]1([H])OS(O)(=O)=O						46508928						CHEMBL3945401	
DB01677	Fumaric acid	BE0000148	ME2	P23368	MAOM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Antipsoriatics for Topical Use; Dicarboxylic Acids; Acids, Acyclic; Dermatologicals; Antipsoriatics"	OC(=O)\C=C\C(O)=O						46508303	D02308				Fumaric_acid	CHEMBL503160	25389
DB01677	Fumaric acid	BE0004531	FAH	P16930	FAAA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Antipsoriatics for Topical Use; Dicarboxylic Acids; Acids, Acyclic; Dermatologicals; Antipsoriatics"	OC(=O)\C=C\C(O)=O						46508303	D02308				Fumaric_acid	CHEMBL503160	25389
DB01684	1-Hydroxy-1-Thio-Glycerol	BE0002148	PREP	P48147	PPCE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		OC[C@@H](O)CSO						46507555							
DB01685	Topiroxostat	BE0002204	XDH	P47989	XDH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyridyl-1,2,4-triazoles"	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridyltriazoles	Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); OAT3/SLC22A8 Inhibitors; BCRP/ABCG2 Inhibitors; UGT1A9 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors	N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1						46508374					Topiroxostat	CHEMBL1078685	
DB01686	"N,N-dimethylarginine"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Nitric Oxide Synthase, antagonists & inhibitors; Amino Acids, Diamino"	N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O						46508091					Asymmetric_dimethylarginine	CHEMBL457530	
DB01689	Inhibitor Idd 384	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CC1=CC=CC=C1CC(=O)NC1=CC(C)=C(C(C)=C1)S(=O)(=O)NCC(O)=O						46505474						CHEMBL240719	
DB01694	D-tartaric acid	BE0001242	B3GAT1	Q9P2W7	B3GA1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				O[C@@H]([C@H](O)C(O)=O)C(O)=O						46508249					Tartaric_acid	CHEMBL1200861	1371315
DB01694	D-tartaric acid	BE0002503	HIF1AN	Q9NWT6	HIF1N_HUMAN				Experimental				O[C@@H]([C@H](O)C(O)=O)C(O)=O						46508249					Tartaric_acid	CHEMBL1200861	1371315
DB01694	D-tartaric acid	BE0004525	ATP6V1C1	P21283	VATC1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				O[C@@H]([C@H](O)C(O)=O)C(O)=O						46508249					Tartaric_acid	CHEMBL1200861	1371315
DB01698	Rutin	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		19007764; 18949601	"Skarydova L, Zivna L, Xiong G, Maser E, Wsol V: AKR1C3 as a potential target for the inhibitory effect of dietary flavonoids. Chem Biol Interact. 2009 Mar 16;178(1-3):138-44. doi: 10.1016/j.cbi.2008.10.015. Epub 2008 Oct 19.@@Barski OA, Tipparaju SM, Bhatnagar A: The aldo-keto reductase superfamily and its role in drug metabolism and detoxification. Drug Metab Rev. 2008;40(4):553-624. doi: 10.1080/03602530802431439."	Approved; Experimental; Investigational	Flavonoid-3-O-glycosides	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides	"Cytochrome P-450 Enzyme Inducers; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Flavonols; Capillary Stabilizing Agents; Cytochrome P-450 Enzyme Inhibitors; Vasoprotectives; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Pyrans; Cytochrome P-450 CYP3A4 Inhibitors; Flavonoids"	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O					9040	46508549		PA451291			Rutin	CHEMBL226335	9500
DB01699	(4e)-4-Aminohex-4-Enoic Acid	BE0000253	ABAT	P80404	GABT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]\C(C)=C(/N)CCC(O)=O						46504946							
DB01708	Prasterone	BE0000123	ESR1	P03372	ESR1_HUMAN	binder	15994348	"Chen F, Knecht K, Birzin E, Fisher J, Wilkinson H, Mojena M, Moreno CT, Schmidt A, Harada S, Freedman LP, Reszka AA: Direct agonist/antagonist functions of dehydroepiandrosterone. Endocrinology. 2005 Nov;146(11):4568-76. Epub 2005 Jun 30."	Approved; Investigational; Nutraceutical	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C					23385	46508824	D08409	PA451993		DNC001146	Dehydroepiandrosterone	CHEMBL90593	3143
DB01708	Prasterone	BE0000792	ESR2	Q92731	ESR2_HUMAN	activator	15994348	"Chen F, Knecht K, Birzin E, Fisher J, Wilkinson H, Mojena M, Moreno CT, Schmidt A, Harada S, Freedman LP, Reszka AA: Direct agonist/antagonist functions of dehydroepiandrosterone. Endocrinology. 2005 Nov;146(11):4568-76. Epub 2005 Jun 30."	Approved; Investigational; Nutraceutical	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C					23385	46508824	D08409	PA451993		DNC001146	Dehydroepiandrosterone	CHEMBL90593	3143
DB01708	Prasterone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	antagonist	9262347	"Sousa A, Ticku MK: Interactions of the neurosteroid dehydroepiandrosterone sulfate with the GABA(A) receptor complex reveals that it may act via the picrotoxin site. J Pharmacol Exp Ther. 1997 Aug;282(2):827-33."	Approved; Investigational; Nutraceutical	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C					23385	46508824	D08409	PA451993		DNC001146	Dehydroepiandrosterone	CHEMBL90593	3143
DB01708	Prasterone	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	17591676; 18079279	"Kohalmy K, Tamasi V, Kobori L, Sarvary E, Pascussi JM, Porrogi P, Rozman D, Prough RA, Meyer UA, Monostory K: Dehydroepiandrosterone induces human CYP2B6 through the constitutive androstane receptor. Drug Metab Dispos. 2007 Sep;35(9):1495-501. Epub 2007 Jun 25.@@Tamasi V, Miller KK, Ripp SL, Vila E, Geoghagen TE, Prough RA: Modulation of receptor phosphorylation contributes to activation of peroxisome proliferator activated receptor alpha by dehydroepiandrosterone and other peroxisome proliferators. Mol Pharmacol. 2008 Mar;73(3):968-76. Epub 2007 Dec 13."	Approved; Investigational; Nutraceutical	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C					23385	46508824	D08409	PA451993		DNC001146	Dehydroepiandrosterone	CHEMBL90593	3143
DB01708	Prasterone	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	17591676	"Kohalmy K, Tamasi V, Kobori L, Sarvary E, Pascussi JM, Porrogi P, Rozman D, Prough RA, Meyer UA, Monostory K: Dehydroepiandrosterone induces human CYP2B6 through the constitutive androstane receptor. Drug Metab Dispos. 2007 Sep;35(9):1495-501. Epub 2007 Jun 25."	Approved; Investigational; Nutraceutical	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Androstenols; Ketosteroids; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Adjuvants, Immunologic; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Androgens and Estrogens; Anabolic Agents for Systemic Use; Adrenal Cortex Hormones; Gonadal Hormones; OATP2B1/SLCO2B1 substrates; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Cytochrome P-450 CYP3A7 Inhibitors; Gonadal Steroid Hormones; OATP1B3 substrates; Androstan Derivatives; 17-Ketosteroids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C					23385	46508824	D08409	PA451993		DNC001146	Dehydroepiandrosterone	CHEMBL90593	3143
DB01709	2-phospho-D-glyceric acid	BE0004460	ENO3	P13929	ENOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sugar acids and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC[C@@H](OP(O)(O)=O)C(O)=O		"Fructose-1,6-diphosphatase Deficiency; Glycogenosis, Type VII. Tarui Disease; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Glycogenosis, Type IC; Glycogenosis, Type IB; Fanconi-Bickel Syndrome; Glycolysis; Triosephosphate Isomerase; Glycogenosis, Type IA. Von Gierke Disease; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Gluconeogenesis; Warburg Effect"	disease; metabolic			46506872							
DB01710	Porphyrin Fe(III)	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[Fe+5].[H]C1=C([H])/C2=C([H])/C3=N/C(/C([H])=C3[H])=C([H])\C3=C([H])C([H])=C([N-]3)/C([H])=C3\N=C(C([H])=C3[H])\C(\[H])=C\1/[N-]\2						46508850							
DB01711	"2,3,4,5,6-Pentafluorobenzyl Alcohol"	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl alcohols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols	"Hydrocarbons, Halogenated; Alcohols; Benzyl Compounds; Benzene Derivatives; Hydrocarbons, Fluorinated"	OCC1=C(F)C(F)=C(F)C(F)=C1F						46505388							
DB01717	Bis(Adenosine)-5'-Pentaphosphate	BE0004477	AK2	P54819	KAD2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46505205						CHEMBL437508	
DB01717	Bis(Adenosine)-5'-Pentaphosphate	BE0004536	AK8	Q96MA6	KAD8_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46505205						CHEMBL437508	
DB01727	Isocitric Acid	BE0004504	ACO2	Q99798	ACON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Acids, Acyclic; Citrates; Tricarboxylic Acids"	O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O						46506619							
DB01734	3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		OC(=O)C(=O)NC1=CC2=C(C=CC=C2)C=C1C(O)=O						46505510						CHEMBL383570	
DB01738	Phosphorylcolamine	BE0000872	PRKCB	P05771	KPCB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phosphoethanolamines	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Amines; Alcohols; Amino Alcohols	NCCOP(O)(O)=O						46507966						CHEMBL146972	
DB01744	Camphor	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	16192383	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005."	Approved; Withdrawn	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes"	[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C					9125	46508429	D06392	PA448759			Camphor	CHEMBL504760	1298738
DB01744	Camphor	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN	agonist	16192383; 23625413	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005.@@Sherkheli MA, Vogt-Eisele AK, Weber K, Hatt H: Camphor modulates TRPV3 cation channels activity by interacting with critical pore-region cysteine residues. Pak J Pharm Sci. 2013 May;26(3):431-8."	Approved; Withdrawn	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes"	[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C					9125	46508429	D06392	PA448759			Camphor	CHEMBL504760	1298738
DB01744	Camphor	BE0001122	TRPA1	O75762	TRPA1_HUMAN	inhibitor	16192383	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005."	Approved; Withdrawn	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes"	[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C					9125	46508429	D06392	PA448759			Camphor	CHEMBL504760	1298738
DB01744	Camphor	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN	activator	23828908	"Selescu T, Ciobanu AC, Dobre C, Reid G, Babes A: Camphor activates and sensitizes transient receptor potential melastatin 8 (TRPM8) to cooling and icilin. Chem Senses. 2013 Sep;38(7):563-75. doi: 10.1093/chemse/bjt027. Epub 2013 Jul 4."	Approved; Withdrawn	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Plant Preparations; Biological Products; Norbornanes; Anti-Infective Agents; Bornanes; Plant Extracts; Ketones; Pharmaceutical Preparations; Basic Lotions and Liniments; Bicyclic Monoterpenes; Cardiac Therapy; Complex Mixtures; Antipruritics and Local Anesthetics; Bridged-Ring Compounds; Anti-Infective Agents, Local; Monoterpenes; Terpenes"	[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C					9125	46508429	D06392	PA448759			Camphor	CHEMBL504760	1298738
DB01752	S-adenosyl-L-homocysteine	BE0000865	PNMT	P11086	PNMT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01752	S-adenosyl-L-homocysteine	BE0004446	PRMT3	O60678	ANM3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01752	S-adenosyl-L-homocysteine	BE0002436	HNMT	P50135	HNMT_HUMAN				Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01752	S-adenosyl-L-homocysteine	BE0002517	TRDMT1	O14717	TRDMT_HUMAN				Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01752	S-adenosyl-L-homocysteine	BE0002524	SETD7	Q8WTS6	SETD7_HUMAN				Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01752	S-adenosyl-L-homocysteine	BE0004441	DPH5	Q9H2P9	DPH5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Amino Acids, Sulfur; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O						46508993					S-Adenosyl-L-homocysteine	CHEMBL418052	
DB01761	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		C[C@H](NC1=NC(=CC=N1)C1=C(N=C(C2CCNCC2)N1C)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1						46506130						CHEMBL305178	
DB01762	Acetoacetic acid	BE0004531	FAH	P16930	FAAA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Short-chain keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives	Keto Acids; Ketone Bodies; Ketones	CC(=O)CC(O)=O		"3-Methylglutaconic Aciduria Type III; 3-Methylglutaconic Aciduria Type I; Isovaleric Aciduria; beta-Ketothiolase Deficiency; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Fatty Acid Biosynthesis; Alkaptonuria; Isobutyryl-CoA Dehydrogenase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Propionic Acidemia; Tyrosinemia Type I; Butyrate Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; 3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency; Phenylketonuria; Tyrosinemia Type 3 (TYRO3); Hawkinsinuria; Phenylalanine and Tyrosine Metabolism; Dopamine beta-Hydroxylase Deficiency; Methylmalonic Aciduria; 3-Methylglutaconic Aciduria Type IV; Ketone Body Metabolism; Monoamine Oxidase-A Deficiency (MAO-A); Tyrosinemia, Transient, of the Newborn; Methylmalonate Semialdehyde Dehydrogenase Deficiency; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Isovaleric Acidemia"	disease; metabolic; drug_action			46505003					Acetoacetic_acid	CHEMBL1230762	
DB01763	7-thionicotinamide-adenine-dinucleotide phosphate	BE0000008	NNT	Q13423	NNTM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O						46506464						CHEMBL1236188	
DB01772	"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		[H][C@@](O)(CO)CNC1=CC=CC(=C1)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC=C(F)C=C12						46504930							
DB01780	Fusicoccin	BE0004570	YWHAE	P62258	1433E_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diterpene glycosides	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides	Mycotoxins; Carbohydrates	[H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O						46508360					Fusicoccin	CHEMBL4244843	
DB01782	Pyrazolanthrone	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anthracenes	Organic compounds; Benzenoids; Anthracenes		O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2						46507936					"1,9-Pyrazoloanthrone"	CHEMBL7064	
DB01782	Pyrazolanthrone	BE0003791	TTK	P33981	TTK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anthracenes	Organic compounds; Benzenoids; Anthracenes		O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2						46507936					"1,9-Pyrazoloanthrone"	CHEMBL7064	
DB01782	Pyrazolanthrone	BE0001097	MAPK10	P53779	MK10_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anthracenes	Organic compounds; Benzenoids; Anthracenes		O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2						46507936					"1,9-Pyrazoloanthrone"	CHEMBL7064	
DB01791	Piclamilast	BE0001133	PDE4A	P27815	PDE4A_HUMAN		15765929	"Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors"	COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl						46508612	D05474				Piclamilast	CHEMBL42126	
DB01791	Piclamilast	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		15765929; 10592235	"Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors"	COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl						46508612	D05474				Piclamilast	CHEMBL42126	
DB01791	Piclamilast	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		15765929; 10592235	"Beeh KM, Beier J, Lerch C, Schulz AK, Buhl R: Effects of piclamilast, a selective phosphodiesterase-4 inhibitor, on oxidative burst of sputum cells from mild asthmatics and stable COPD patients. Lung. 2004;182(6):369-77.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Phosphodiesterase 4 Inhibitors; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Phosphodiesterase Inhibitors"	COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl						46508612	D05474				Piclamilast	CHEMBL42126	
DB01793	SB-409513	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl						46504516						CHEMBL156987	
DB01807	"N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea"	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				CC(C)(C)C1=NN(C(NC(=O)NC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1						46508963						CHEMBL85860	
DB01809	"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine"	BE0002411	RET	P07949	RET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C						46508473						CHEMBL306380	
DB01812	"Adenosine 3',5'-diphosphate"	BE0001264	SULT2B1	O00204	ST2B1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"Purine ribonucleoside 3',5'-bisphosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O						46507388						CHEMBL574817	
DB01812	"Adenosine 3',5'-diphosphate"	BE0001541	HS3ST3A1	Q9Y663	HS3SA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"Purine ribonucleoside 3',5'-bisphosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O						46507388						CHEMBL574817	
DB01812	"Adenosine 3',5'-diphosphate"	BE0002559	NDST1	P52848	NDST1_HUMAN				Experimental	"Purine ribonucleoside 3',5'-bisphosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O						46507388						CHEMBL574817	
DB01812	"Adenosine 3',5'-diphosphate"	BE0002561	SULT1B1	O43704	ST1B1_HUMAN				Experimental	"Purine ribonucleoside 3',5'-bisphosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Isomerism; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O						46507388						CHEMBL574817	
DB01819	Phosphoenolpyruvate	BE0004460	ENO3	P13929	ENOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phosphate esters	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Hydroxy Acids	OC(=O)C(=C)OP(O)(O)=O		"Leigh Syndrome; Glycogenosis, Type IB; Pyruvate Kinase Deficiency; Pyruvate Dehydrogenase Complex Deficiency; Tay-Sachs Disease; Amino Sugar Metabolism; Warburg Effect; Fructose-1,6-diphosphatase Deficiency; Glycogenosis, Type IC; Glycolysis; Glycogenosis, Type IA. Von Gierke Disease; Salla Disease/Infantile Sialic Acid Storage Disease; Gluconeogenesis; Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency); G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Pyruvate Metabolism; Primary Hyperoxaluria II, PH2; Glycogenosis, Type VII. Tarui Disease; Sialuria or French Type Sialuria; Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease; Fanconi-Bickel Syndrome; Triosephosphate Isomerase; Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1)"	disease; metabolic			46506098					Phosphoenolpyruvate	CHEMBL1235228	
DB01820	2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O						46507184						CHEMBL1230658	
DB01821	"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide"	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O						46509184						CHEMBL44833	
DB01821	"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide"	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O						46509184						CHEMBL44833	
DB01823	Beta-D-Glucopyranose Spirohydantoin	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O						46506762						CHEMBL595439	
DB01826	N-Butyl Isocyanide	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic isocyanides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides		CCCC[N+]#[C-]						46509064							
DB01827	"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide"	BE0001353	LGALS3	P17931	LEG3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F						46504979							
DB01831	Tryptophanyl-5'amp	BE0000228	WARS	P23381	SYWC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	5'-acylphosphoadenosines	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12						46505679							
DB01832	4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid	BE0004531	FAH	P16930	FAAA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Short-chain keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives		C[P@@](O)(=O)CC(=O)CC(O)=O						46507856							
DB01833	Canavanine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins"	N[C@@H](CCONC(N)=N)C(O)=O						46507101					Canavanine	CHEMBL443732	
DB01834	"(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene"	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CCC(=O)N[C@@]([H])(CS[C@]1([H])C2=CC=CC=C2C2=CC=CC=C2[C@@]1([H])O)C(=O)NCC(O)=O)C(O)=O						46504778							
DB01843	"(5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N([H])N1C(=O)N([H])[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O						46508980						CHEMBL594722	
DB01844	"N,N-dimethylformamide"	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tertiary carboxylic acid amides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 Substrates; Formates; Acids, Acyclic; Amides; Formamides"	CN(C)C=O						46506036					Dimethylformamide	CHEMBL268291	
DB01854	5-Bromonicotinamide	BE0000931	ART1	P52961	NAR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nicotinamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives		NC(=O)C1=CN=CC(Br)=C1						46508285							
DB01860	Cordycepin Triphosphate	BE0004515	PAPOLA	P51003	PAPOA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides"	"Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12						46506331						CHEMBL480329	
DB01863	"Inositol 1,3,4,5-Tetrakisphosphate"	BE0001627	ITPKA	P23677	IP3KA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O						46508691						CHEMBL23552	
DB01863	"Inositol 1,3,4,5-Tetrakisphosphate"	BE0004433	CYTH3	O43739	CYH3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O						46508691						CHEMBL23552	
DB01863	"Inositol 1,3,4,5-Tetrakisphosphate"	BE0001193	PDPK1	O15530	PDPK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O						46508691						CHEMBL23552	
DB01863	"Inositol 1,3,4,5-Tetrakisphosphate"	BE0001300	DAPP1	Q9UN19	DAPP1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols	O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O						46508691						CHEMBL23552	
DB01864	5'-Guanosine-Diphosphate-Monothiophosphate	BE0004558	RAB11A	P62491	RB11A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Thionucleotides; Nucleotides; Guanosine Triphosphate"	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1						46507592						CHEMBL1204628	
DB01870	"1,4-dithio-alpha-D-glucopyranose"	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(S)[C@@]([H])(CO)O[C@]1([H])S						46506459							
DB01873	Epothilone D	BE0000143	TUBB	P07437	TBB5_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1						46508361					Epothilone	CHEMBL96172	
DB01873	Epothilone D	BE0001408	TUBB4A	P04350	TBB4A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1						46508361					Epothilone	CHEMBL96172	
DB01873	Epothilone D	BE0001391	TUBA4A	P68366	TBA4A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1						46508361					Epothilone	CHEMBL96172	
DB01873	Epothilone D	BE0001388	TUBA1C	Q9BQE3	TBA1C_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1						46508361					Epothilone	CHEMBL96172	
DB01873	Epothilone D	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1						46508361					Epothilone	CHEMBL96172	
DB01877	"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide"	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO						46507454							
DB01878	Benzophenone	BE0000123	ESR1	P03372	ESR1_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	Ketones; Photosensitizing Agents; Dermatologicals; Radiation-Sensitizing Agents; Benzene Derivatives	O=C(C1=CC=CC=C1)C1=CC=CC=C1					2107	46507784					Benzophenone	CHEMBL90039	18997
DB01878	Benzophenone	BE0000792	ESR2	Q92731	ESR2_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	Ketones; Photosensitizing Agents; Dermatologicals; Radiation-Sensitizing Agents; Benzene Derivatives	O=C(C1=CC=CC=C1)C1=CC=CC=C1					2107	46507784					Benzophenone	CHEMBL90039	18997
DB01890	"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide"	BE0003418	IGF1	P05019	IGF1_HUMAN		10592235; 11551198	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Vajdos FF, Ultsch M, Schaffer ML, Deshayes KD, Liu J, Skelton NJ, de Vos AM: Crystal structure of human insulin-like growth factor-1: detergent binding inhibits binding protein interactions. Biochemistry. 2001 Sep 18;40(37):11022-9."	Experimental	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"		[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO						46505499							
DB01890	"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide"	BE0000071	PPARA	Q07869	PPARA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"		[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO						46505499							
DB01892	Hyperforin	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Nutraceutical	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	OATP1B1/SLCO1B1 Inhibitors; Phenols; Benzene Derivatives	CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O						46506104				DNC000759	Hyperforin	CHEMBL1237210	
DB01901	Sucrosofate	BE0000748	FGFR2	P21802	FGFR2_HUMAN	ligand	15047176	"Hung KW, Kumar TK, Chi YH, Chiu IM, Yu C: Molecular cloning, overexpression, and characterization of the ligand-binding D2 domain of fibroblast growth factor receptor. Biochem Biophys Res Commun. 2004 Apr 23;317(1):253-8."	Experimental	Disaccharide sulfates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Anti-Ulcer Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Disaccharides; Gastrointestinal Agents	OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O						46504489						CHEMBL1235872	
DB01901	Sucrosofate	BE0000689	FGF1	P05230	FGF1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Disaccharide sulfates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Anti-Ulcer Agents; Oligosaccharides; Carbohydrates; Polysaccharides; Disaccharides; Gastrointestinal Agents	OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O						46504489						CHEMBL1235872	
DB01902	"1-Ethyl-Pyrrolidine-2,5-Dione"	BE0004508	NSF	P46459	NSF_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-substituted carboxylic acid imides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Imides; Pyrrolidinones; Pyrrolidines	CCN1C(=O)CCC1=O						46507776							
DB01902	"1-Ethyl-Pyrrolidine-2,5-Dione"	BE0004574	ERO1B	Q86YB8	ERO1B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-substituted carboxylic acid imides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Imides; Pyrrolidinones; Pyrrolidines	CCN1C(=O)CCC1=O						46507776							
DB01915	S-Hydroxycysteine	BE0003455	C3	P01024	CO3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CSO)C(O)=O						46507482							
DB01917	Putrescine	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Amines; Biogenic Amines; Polyamines; Biogenic Polyamines; Diamines	NCCCCN		"Methionine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Methionine Adenosyltransferase Deficiency; Cystathionine beta-Synthase Deficiency; Glycine N-Methyltransferase Deficiency; Spermidine and Spermine Biosynthesis; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Hypermethioninemia"	disease; metabolic			46506728					Putrescine	CHEMBL46257	
DB01917	Putrescine	BE0000101	AMD1	P17707	DCAM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Monoalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Amines; Biogenic Amines; Polyamines; Biogenic Polyamines; Diamines	NCCCCN		"Methionine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Methionine Adenosyltransferase Deficiency; Cystathionine beta-Synthase Deficiency; Glycine N-Methyltransferase Deficiency; Spermidine and Spermine Biosynthesis; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Hypermethioninemia"	disease; metabolic			46506728					Putrescine	CHEMBL46257	
DB01922	"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])[C@@]([H])(CO)N=C(NO)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46508254						CHEMBL1233953	
DB01929	"5-Chloryl-2,4,6-quinazolinetriamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		NC1=C(C2=C(N)N=C(N)N=C2C=C1)[Cl](=O)=O						46508232							
DB01933	7-Hydroxystaurosporine	BE0001193	PDPK1	O15530	PDPK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles; Antineoplastic Agents; Protein Kinase Inhibitors"	[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13						46508077				DCL001064		CHEMBL1236539	
DB01942	Formic acid	BE0000735	HMOX1	P09601	HMOX1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01942	Formic acid	BE0000689	FGF1	P05230	FGF1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01942	Formic acid	BE0002641	CASK	O14936	CSKP_HUMAN				Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01942	Formic acid	BE0004569	ACYP2	P14621	ACYP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01942	Formic acid	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01942	Formic acid	BE0002652	GPHN	Q9NQX3	GEPH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Acids, Acyclic; Blood Coagulation Factors; Hemostatics"	[H]C(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; DOPA-Responsive Dystonia; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Pterine Biosynthesis; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); Hypercholesterolemia; Risedronate Action Pathway; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency; Mevalonic Aciduria; Tryptophan Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; Cholesteryl Ester Storage Disease; Androgen and Estrogen Metabolism; Lovastatin Action Pathway; Folate Metabolism; Aromatase Deficiency; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		5235	46508355		PA449705			Formic_acid	CHEMBL116736	4537
DB01944	(S)-blebbistatin	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrroloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines		CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1						46507910						CHEMBL1231358	
DB01946	Bisindolylmaleimide VIII	BE0001193	PDPK1	O15530	PDPK1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Maleates; Hematologic Agents; Acids, Acyclic; Imides; Antiplatelet agents"	CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2						46508045						CHEMBL269264	
DB01948	"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One"	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines		FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1						46505375						CHEMBL564912	
DB01950	AR-AO-14418	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrothiazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles	"Sulfur Compounds; Amides; Glycogen Synthase Kinase 3, antagonists & inhibitors"	COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1						46507570						CHEMBL259850	
DB01953	Inhibitor of P38 Kinase	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12						46506330						CHEMBL193156	
DB01954	Rolipram	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines	Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors	COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1						46508075	D01783	PA153906323			Rolipram	CHEMBL63	
DB01954	Rolipram	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines	Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors	COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1						46508075	D01783	PA153906323			Rolipram	CHEMBL63	
DB01954	Rolipram	BE0009963	PDE4A	Q08499	PDE4D_HUMAN	inhibitor	22629087	"Shalaby AM, Kamal SM: Effect of rolipram, a phosphodiesterase enzyme type-4 inhibitor, on gamma-amino butyric acid content of the frontal cortex in mice exposed to chronic mild stress. J Pharmacol Pharmacother. 2012 Apr;3(2):132-7. doi: 10.4103/0976-500X.95509."	Investigational	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines	Phosphodiesterase 4 Inhibitors; Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Pyrrolidinones; Antidepressive Agents; Phosphodiesterase Inhibitors	COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1						46508075	D01783	PA153906323			Rolipram	CHEMBL63	
DB01955	"1,4-Butanediol"	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Alcohols; Glycols	OCCCCO						46506248				DAP000983	"1,4-Butanediol"	CHEMBL171623	
DB01956	Taurine	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	inhibitor	25833525	"Chan CY, Singh I, Magnuson H, Zohaib M, Bakshi KP, Le Francois B, Anazco-Ayala A, Lee EJ, Tom A, YeeMon K, Ragnauth A, Friedman E, Banerjee SP: Taurine Targets the GluN2b-Containing NMDA Receptor Subtype. Adv Exp Med Biol. 2015;803:531-44. doi: 10.1007/978-3-319-15126-7_43."	Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01956	Taurine	BE0000745	GLRA2	P23416	GLRA2_HUMAN	agonist			Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01956	Taurine	BE0000414	GLRA3	O75311	GLRA3_HUMAN	agonist			Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01956	Taurine	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	agonist	29123472	"Kilb W, Fukuda A: Taurine as an Essential Neuromodulator during Perinatal Cortical Development. Front Cell Neurosci. 2017 Oct 24;11:328. doi: 10.3389/fncel.2017.00328. eCollection 2017."	Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01956	Taurine	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	29123472	"Kilb W, Fukuda A: Taurine as an Essential Neuromodulator during Perinatal Cortical Development. Front Cell Neurosci. 2017 Oct 24;11:328. doi: 10.3389/fncel.2017.00328. eCollection 2017."	Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01956	Taurine	BE0000433	GLRA1	P23415	GLRA1_HUMAN	agonist	15081878	"Jensen AA, Kristiansen U: Functional characterisation of the human alpha1 glycine receptor in a fluorescence-based membrane potential assay. Biochem Pharmacol. 2004 May 1;67(9):1789-99."	Approved; Nutraceutical	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Hydrocarbons, Acyclic; Amino Acids; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes; Amino Acids, Peptides, and Proteins"	NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; Taurine and Hypotaurine Metabolism; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		1366	46506189	D00047	PA451590			Taurine	CHEMBL239243	10337
DB01958	"5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC(C)(C)C1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1						46504477						CHEMBL329985	
DB01959	"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O						46507758							
DB01959	"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O						46507758							
DB01962	Phosphonotyrosine	BE0000453	KIT	P10721	KIT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O						46507690						CHEMBL286939	
DB01970	"Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide"	BE0001223	PDE3B	Q13370	PDE3B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acyl amines	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides		[H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC						46508384							
DB01972	Guanosine-5'-Monophosphate	BE0004524	DLG4	P78352	DLG4_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1		Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway	disease; metabolic; drug_action			46504973						CHEMBL283807	
DB01972	Guanosine-5'-Monophosphate	BE0001376	GMPR	P36959	GMPR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1		Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway	disease; metabolic; drug_action			46504973						CHEMBL283807	
DB01972	Guanosine-5'-Monophosphate	BE0000182	PDE5A	O76074	PDE5A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1		Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway	disease; metabolic; drug_action			46504973						CHEMBL283807	
DB01972	Guanosine-5'-Monophosphate	BE0001473	HINT1	P49773	HINT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1		Clomocycline Action Pathway; Lesch-Nyhan Syndrome (LNS); Xanthinuria Type I; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Purine Nucleoside Phosphorylase Deficiency; Azithromycin Action Pathway; Glutamate Metabolism; Adenine Phosphoribosyltransferase Deficiency (APRT); Clindamycin Action Pathway; Mercaptopurine Action Pathway; Clarithromycin Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Hyperinsulinism-Hyperammonemia Syndrome; Troleandomycin Action Pathway; Mitochondrial DNA Depletion Syndrome; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Myoadenylate Deaminase Deficiency; Homocarnosinosis; Neomycin Action Pathway; Roxithromycin Action Pathway; Purine Metabolism; Arbekacin Action Pathway; Gout or Kelley-Seegmiller Syndrome; Adenylosuccinate Lyase Deficiency; Streptomycin Action Pathway	disease; metabolic; drug_action			46504973						CHEMBL283807	
DB01983	2(S)-Amino-6-Boronohexanoic Acid	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCCC[B-](O)(O)O)C(O)=O						46506382							
DB01988	6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1						46506846							
DB01989	Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate	BE0004479	TLL2	Q9Y6L7	TLL2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1						46506751							
DB01990	Cholesterol sulfate	BE0004545	RORA	P35398	RORA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cholesterols and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids	"Cholestanes; Fused-Ring Compounds; Protease Inhibitors; Serine Protease Inhibitors; Anticarcinogenic Agents; Sterols; Enzyme Inhibitors; Lipids; Protective Agents; Cholestenes; Steroids; Membrane Lipids; Compounds used in a research, industrial, or household setting"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C						46507419					Cholesterol_sulfate	CHEMBL1231592	
DB01992	Coenzyme A	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational; Nutraceutical	Coenzyme A and derivatives	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis"	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS						46507023					Coenzyme_A	CHEMBL1213327	1314344
DB01992	Coenzyme A	BE0004476	DBI	P07108	ACBP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational; Nutraceutical	Coenzyme A and derivatives	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis"	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS						46507023					Coenzyme_A	CHEMBL1213327	1314344
DB01992	Coenzyme A	BE0000496	CRAT	P43155	CACP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational; Nutraceutical	Coenzyme A and derivatives	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis"	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS						46507023					Coenzyme_A	CHEMBL1213327	1314344
DB01992	Coenzyme A	BE0004583	KAT2A	Q92830	KAT2A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational; Nutraceutical	Coenzyme A and derivatives	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis"	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS						46507023					Coenzyme_A	CHEMBL1213327	1314344
DB01992	Coenzyme A	BE0002683	KAT2B	Q92831	KAT2B_HUMAN				Investigational; Nutraceutical	Coenzyme A and derivatives	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Coenzyme A, biosynthesis"	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS						46507023					Coenzyme_A	CHEMBL1213327	1314344
DB01996	3-Methylpyridine	BE0000966	MMP13	P45452	MMP13_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Methylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines	Pyridines	CC1=CC=CN=C1						46507201					3-Methylpyridine	CHEMBL15722	
DB01996	3-Methylpyridine	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Methylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Methylpyridines	Pyridines	CC1=CC=CN=C1						46507201					3-Methylpyridine	CHEMBL15722	
DB01997	3-Bromo-7-Nitroindazole	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring"	BrC1=NNC2=C1C=CC=C2N(=O)=O						46507791						CHEMBL479014	
DB01997	3-Bromo-7-Nitroindazole	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring"	BrC1=NNC2=C1C=CC=C2N(=O)=O						46507791						CHEMBL479014	
DB02001	"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		NC1=NC2=C(C(N)=N1)C(SC1=CC=C(C=C1)N1CCOCC1)=CC=C2						46507893						CHEMBL328827	
DB02007	alpha-D-glucose 6-phosphate	BE0001108	HK1	P19367	HXK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O						46505235							
DB02007	alpha-D-glucose 6-phosphate	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O						46505235							
DB02007	alpha-D-glucose 6-phosphate	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O						46505235							
DB02007	alpha-D-glucose 6-phosphate	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O						46505235							
DB02010	Staurosporine	BE0001341	ITK	Q08881	ITK_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02010	Staurosporine	BE0001316	SYK	P43405	KSYK_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02010	Staurosporine	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02010	Staurosporine	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02010	Staurosporine	BE0001356	CSK	P41240	CSK_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02010	Staurosporine	BE0001193	PDPK1	O15530	PDPK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbazoles; Alkaloids; Indolizines; Indoles"	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC						46504923		PA165109623		DNC001380	Staurosporine	CHEMBL388978	
DB02014	"5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	o-Hydroxybenzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1						46506116						CHEMBL117869	
DB02020	Alrestatin	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Peripheral Nervous System Agents; Autonomic Agents; Parasympatholytics"	OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23						46508635					Alrestatin	CHEMBL63055	
DB02021	Fidarestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Hydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	"Imidazoles; Aldehyde Reductase, antagonists & inhibitors"	NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2						46505893				DCL000311	Fidarestat	CHEMBL84446	
DB02027	N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitroguanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines		NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O						46504827						CHEMBL227937	
DB02027	N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitroguanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines		NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O						46504827						CHEMBL227937	
DB02028	"(1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)]"	BE0004544	TUB	P50607	TUB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		OCC(=O)COP(O)(=O)OC1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O						46505118							
DB02029	N-Cyclohexyl-N'-(4-Iodophenyl)Urea	BE0000950	EPHX2	P34913	HYES_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		IC1=CC=C(NC(=O)NC2CCCCC2)C=C1						46508430						CHEMBL1231797	
DB02032	Epicaptopril	BE0000221	ACE	P12821	ACE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Cardiovascular Agents; Imino Acids; Amino Acids, Cyclic; Enzyme Inhibitors; Antihypertensive Agents; Agents that produce hypertension; Amino Acids, Peptides, and Proteins"	C[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O						46505775						CHEMBL269634	
DB02034	Tridolgosir	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolizidines	Organic compounds; Organoheterocyclic compounds; Indolizidines		[H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O						46506581					Swainsonine	CHEMBL371197	
DB02044	N-[3-(aminomethyl)benzyl]acetamidine	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		CC(=N)NCC1=CC(CN)=CC=C1						46507793						CHEMBL107251	
DB02044	N-[3-(aminomethyl)benzyl]acetamidine	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		CC(=N)NCC1=CC(CN)=CC=C1						46507793						CHEMBL107251	
DB02046	N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O						46505506							
DB02048	"1,2,4-Triazole-Carboxamidine"	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Triazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles		NC(=[NH2+])N1C=NC=N1						46504690							
DB02049	2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1						46508760						CHEMBL93687	
DB02052	Indirubin-3'-monoxime	BE0003721	AHR	P35869	AHR_HUMAN	agonist	15001395	"Peter Guengerich F, Martin MV, McCormick WA, Nguyen LP, Glover E, Bradfield CA: Aryl hydrocarbon receptor response to indigoids in vitro and in vivo. Arch Biochem Biophys. 2004 Mar 15;423(2):309-16."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring"	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2						46507166				DNC000796		CHEMBL216543	
DB02052	Indirubin-3'-monoxime	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring"	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2						46507166				DNC000796		CHEMBL216543	
DB02056	Prostaglandin D2	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Biological Factors; Prostaglandin D2, antagonists & inhibitors; Prostaglandins; Prostaglandins D; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated"	[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Bromfenac Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway	disease; metabolic; drug_action			46504574					Prostaglandin_D2	CHEMBL1235252	
DB02057	(S)-AMPA	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC1=C(C[C@H](N)C(O)=O)C(O)=NO1						46505942					AMPA	CHEMBL276815	
DB02058	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone	BE0002131	FGFR1	P11362	FGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Tyrosine Kinase Inhibitors	[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12						46508294				DNC001385			
DB02058	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone	BE0000748	FGFR2	P21802	FGFR2_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Tyrosine Kinase Inhibitors	[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12						46508294				DNC001385			
DB02062	"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine"	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O						46508788							
DB02062	"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine"	BE0000266	MME	P08473	NEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O						46508788							
DB02067	Triglu-5-formyl-tetrahydrofolate	BE0000331	SHMT1	P34896	GLYC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydrofolic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives	Vitamins; Folic Acid and Derivatives; Vitamin B Complex	[H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H]						46506661						CHEMBL1236268	
DB02068	Delta-Amino Valeric Acid	BE0000347	GATM	P50440	GATM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Delta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[NH3+]CCCCC(O)=O						46505369							
DB02071	WAY-151693	BE0000966	MMP13	P45452	MMP13_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	Amines; Sulfones; Hydroxy Acids; Hydroxylamines; Sulfur Compounds; Amides	COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO						46508910						CHEMBL70176	
DB02072	"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1						46505435						CHEMBL139423	
DB02073	Biliverdine IX Alpha	BE0000735	HMOX1	P09601	HMOX1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bilirubins	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Bilirubins		CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O						46505998						CHEMBL455477	
DB02073	Biliverdine IX Alpha	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bilirubins	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Bilirubins		CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O						46505998						CHEMBL455477	
DB02076	6-phospho-D-gluconic acid	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Sugar Acids; Hydroxy Acids; Carbohydrates; Acids, Acyclic"	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O						46506816					6-Phosphogluconic_acid	CHEMBL1230513	
DB02077	L-N(omega)-nitroarginine-(4R)-amino-L-proline amide	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O						46507698						CHEMBL228077	
DB02077	L-N(omega)-nitroarginine-(4R)-amino-L-proline amide	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O						46507698						CHEMBL228077	
DB02078	Triglyme	BE0004295	PFN2	P35080	PROF2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Glycols; Polymers; Alcohols; Macromolecular Substances; Ethylene Glycols; Compounds used in a research, industrial, or household setting"	COCCOCCOCCOC						46505275					Triglyme	CHEMBL1235255	
DB02078	Triglyme	BE0000839	FYN	P06241	FYN_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Glycols; Polymers; Alcohols; Macromolecular Substances; Ethylene Glycols; Compounds used in a research, industrial, or household setting"	COCCOCCOCCOC						46505275					Triglyme	CHEMBL1235255	
DB02079	Aminooxyacetic acid	BE0000316	AGXT	P21549	SPYA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"GABA Agents; Amines; Enzyme Inhibitors; Neurotransmitter Agents; Hydroxylamines; Acids, Acyclic; Acetates"	NOCC(O)=O						46507597					Aminooxyacetic_acid	CHEMBL347862	
DB02080	"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene"	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes		COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C						46506840							
DB02082	Phosphoaminophosphonic acid guanylate ester	BE0004478	RAB8B	Q92930	RAB8B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Ribonucleotides; Guanine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Guanosine Triphosphate"	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46506592						CHEMBL1233085	
DB02090	A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CCCO)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@@]1([H])CCCCN(CCOC)C1=O						46508659							
DB02093	5-phospho-D-arabinohydroxamic acid	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pentose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46508349						CHEMBL1235136	
DB02095	Isatin	BE0002196	MAOB	P27338	AOFB_HUMAN				Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Indoles; Heterocyclic Compounds, Fused-Ring"	O=C1NC2=CC=CC=C2C1=O						46507369					Isatin	CHEMBL326294	
DB02096	FR221647	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-heteroaryl carboxamides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives		[H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O						46507568						CHEMBL329433	
DB02101	"(S,R)-fidarestat"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines		[H]N([H])C(=O)[C@@H]1C[C@@]2(N([H])C(=O)N([H])C2=O)C2=C(O1)C=CC(F)=C2						46506217						CHEMBL189464	
DB02104	"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine"	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"		COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1						46508492						CHEMBL50514	
DB02105	"3,5-Dinitrocatechol"	BE0002089	COMT	P21964	COMT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dinitrophenols	Organic compounds; Benzenoids; Phenols; Nitrophenols	Anti-Parkinson Drugs; Central Nervous System Agents; Enzyme Inhibitors; Phenols; Benzene Derivatives; Anti-Dyskinesia Agents; COMT Inhibitors	OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O						46507481						CHEMBL168276	
DB02106	"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid"	BE0000315	THRB	P10828	THB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Bromodiphenyl ethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1						46505732							
DB02108	2-Aminoethanimidic Acid	BE0000939	CTSB	P07858	CATB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				NCC=N						46505480							
DB02115	Daidzin	BE0000133	ALDH2	P05091	ALDH2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoflavonoid O-glycosides	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Central Nervous System Agents; Enzyme Inhibitors; Pyrans; Flavonoids; Alcohol Deterrents"	[H][C@]1(CO)O[C@@]([H])(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46505206					Daidzin	CHEMBL486422	
DB02116	Olomoucine	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-alkylaminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Heterocyclic Compounds, Fused-Ring; Purines; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Cytokinins"	CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1						46508610				DNC001057	Glial_scar	CHEMBL280074	
DB02118	CP-271485	BE0001198	MMP12	P39900	MMP12_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles		[H][C@@]1(CN(CC2=CC=CC=C2)C(=O)CO1)C1=CC2=C(C=C1)N(C)S(=O)(=O)C2						46507727							
DB02131	N-1-methylheptylformamide	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Secondary carboxylic acid amides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives		[H]N(C=O)[C@H](C)CCCCCC						46504613							
DB02132	Zenarestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN				Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring; Aldehyde Reductase, antagonists & inhibitors"	OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2						46507491					Zenarestat	CHEMBL10413	
DB02140	N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide	BE0003970	CTSH	P09668	CATH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C						46507687							
DB02141	"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1						46504749						CHEMBL444422	
DB02142	Pyridoxamine-5'-Phosphate	BE0000273	CCBL1	Q16773	KAT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyridoxamine 5'-phosphates	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines		CC1=NC=C(COP(O)(O)=O)C(CN)=C1O		Hypophosphatasia; Vitamin B6 Metabolism	disease; metabolic			46506503						CHEMBL1235353	
DB02143	1-hydroxy-2-isopropylguanidine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-hydroxyguanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines		CC(C)\N=C(/N)NO						46505994						CHEMBL72434	
DB02148	3-Amino-4-Oxybenzyl-2-Butanone	BE0000939	CTSB	P07858	CATB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers		CC(=O)[C@@H](N)COCC1=CC=CC=C1						46506319						CHEMBL1235900	
DB02152	K-252a	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Alkaloids; Indolizines; Indoles"	[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13						46504455						CHEMBL281948	
DB02152	K-252a	BE0000915	MET	P08581	MET_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Alkaloids; Indolizines; Indoles"	[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13						46504455						CHEMBL281948	
DB02153	3-sulfino-L-alanine	BE0004515	PAPOLA	P51003	PAPOA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](C[S@@](O)=O)C(O)=O						46505410						CHEMBL1160508	
DB02153	3-sulfino-L-alanine	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](C[S@@](O)=O)C(O)=O						46505410						CHEMBL1160508	
DB02158	"(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol"	BE0001128	MTAP	Q13126	MTAP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2N						46508814							
DB02162	5'-O-(N-Ethyl-Sulfamoyl)Adenosine	BE0001473	HINT1	P49773	HINT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506758							
DB02164	N-sulfo-flavin mononucleotide	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"		[H]N1C(=O)N=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=C(C=C(C)C(C)=C3)[N+](=C2C1=O)S([O-])(=O)=O						46506833							
DB02165	Zinc trihydroxide	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental			Metal cations; Metal divalent cations; Zinc Compounds	[Zn].[H]O[H].[H]O[H].[H]O[H]						46506339							
DB02169	"9,10-Deepithio-9,10-Didehydroacanthifolicin"	BE0001447	PPP1CC	P36873	PP1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ketals	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		[H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1						46504468						CHEMBL280487	
DB02175	Malonic acid	BE0002708	SNRPA	P09012	SNRPA_HUMAN				Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Thallium; Acids, Acyclic; Dicarboxylic Acids"	OC(=O)CC(O)=O		Fatty Acid Biosynthesis	metabolic			46504875					Malonic_acid	CHEMBL7942	
DB02177	1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine	BE0000516	ITGAL	P20701	ITAL_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O						46504944							
DB02180	Myristoyl-Coa	BE0003780	NMT2	O60551	NMT2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46507714							
DB02183	Adenosine-5'-ditungstate	BE0001473	HINT1	P49773	HINT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1						46504581							
DB02187	Equilin	BE0000123	ESR1	P03372	ESR1_HUMAN		21138273	"Starcevic S, Brozic P, Turk S, Cesar J, Rizner TL, Gobec S: Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem. 2011 Jan 13;54(1):248-61. doi: 10.1021/jm101104z. Epub 2010 Dec 7."	Experimental	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Estranes; Cytochrome P-450 CYP3A Substrates; Hormones; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Estradiol Congeners; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3						46506633	D04041				Equilin	CHEMBL323533	
DB02189	"2',3'-Dideoxyadenosine triphosphate"	BE0004486	DNTT	P04053	TDT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Purine 2',3'-dideoxyribonucleoside triphosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides"	"Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1		Didanosine Action Pathway	drug_action			46506011						CHEMBL1383	
DB02195	"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine"	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles		ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1						46505327							
DB02196	Uridine-Diphosphate-N-Acetylgalactosamine	BE0004629	EXTL2	Q9UBQ6	EXTL2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars"		CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O						46508676							
DB02205	(+)-Rutamarin alcohol	BE0000720	GAPDHS	O14556	G3PT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Psoralens	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Furanocoumarins		CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C						46505661						CHEMBL1231470	
DB02207	7-Nitroindazole	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Sensory System Agents; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Psychotropic Drugs; Pyrazoles; Tranquilizing Agents; Protective Agents; Nitric Oxide Synthase, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics; Anticonvulsants; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	O=N(=O)C1=CC=CC2=CNN=C12						46504896					7-Nitroindazole	CHEMBL247378	
DB02207	7-Nitroindazole	BE0000067	NOS1	P29475	NOS1_HUMAN	inhibitor	28101475	"Eslami SM, Moradi MM, Ghasemi M, Dehpour AR: Anticonvulsive Effects of Licofelone on Status Epilepticus Induced by Lithium-pilocarpine in Wistar Rats: a Role for Inducible Nitric Oxide Synthase. J Epilepsy Res. 2016 Dec 31;6(2):51-58. doi: 10.14581/jer.16011. eCollection 2016 Dec."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Sensory System Agents; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Psychotropic Drugs; Pyrazoles; Tranquilizing Agents; Protective Agents; Nitric Oxide Synthase, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics; Anticonvulsants; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	O=N(=O)C1=CC=CC2=CNN=C12						46504896					7-Nitroindazole	CHEMBL247378	
DB02209	Pyridoxine phosphate	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridoxine-5'-phosphates	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines	Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Picolines; Pyridines	CC1=NC=C(COP(O)(O)=O)C(CO)=C1O		Hypophosphatasia; Vitamin B6 Metabolism	disease; metabolic			46505900							
DB02210	"Hexane-1,6-Diol"	BE0000794	NR3C1	P04150	GCR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Fatty alcohols	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols		OCCCCCCO						46508366						CHEMBL458616	
DB02211	(R)-N-methyl-N-2-propynyl-1-indanamine	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		CN(CC#C)[C@@H]1CCC2=C1C=CC=C2						46507649						CHEMBL436947	
DB02215	Furoyl-Leucine	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O						46505590							
DB02216	S-Methylcysteine	BE0000941	CTSD	P07339	CATD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Sulfhydryl Compounds; Carbon Radioisotopes; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	CSC[C@H](N)C(O)=O						46506571					S-Methylcysteine	CHEMBL394875	
DB02218	"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside"	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46507169							
DB02218	"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental				[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46507169							
DB02234	S-Ethylisothiourea	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isothioureas	Organic compounds; Organosulfur compounds; Isothioureas	"Cardiovascular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Hypnotics and Sedatives; Vasoconstrictor Agents; Nitric Oxide Synthase, antagonists & inhibitors; Sulfur Compounds; Amides; Thiourea"	CCSC(N)=N						46508006						CHEMBL321691	
DB02235	L-methionine (R)-S-oxide	BE0003392	APP	P05067	A4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	C[S@@](=O)CC[C@H](N)C(O)=O						46504569							
DB02249	2-Ethoxyethanol	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Alcohols; Glycols; Solvents	CCOCCO						46508195					2-Ethoxyethanol	CHEMBL119596	1314365
DB02255	Ilomastat	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Hydroxy Acids; Oligopeptides; Peptides; Hydroxylamines; Amino Acids, Peptides, and Proteins"	CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)CC(=O)NO						46506673	D03793				Ilomastat	CHEMBL19611	
DB02258	SR11254	BE0000144	RARG	P13631	RARG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O						46504531						CHEMBL77961	
DB02259	"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O						46507470							
DB02261	Platelet Activating Factor	BE0005561	PTAFR	P25105	PTAFR_HUMAN		11529688; 16386258	"Qian C, Hwang SB, Libertine-Garahan L, Eckman JB, Cai X, Scannell RT, Yeh CG: Anti-inflammatory activities of LDP-392, a dual PAF receptor antagonist and 5-lipoxygenase inhibitor. Pharmacol Res. 2001 Sep;44(3):213-20.@@Pegorier S, Stengel D, Durand H, Croset M, Ninio E: Oxidized phospholipid: POVPC binds to platelet-activating-factor receptor on human macrophages. Implications in atherosclerosis. Atherosclerosis. 2006 Oct;188(2):433-43. Epub 2005 Dec 28."	Experimental	"1-alkyl,2-acetylglycero-3-phosphocholines"	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines	Quaternary Ammonium Compounds; Inflammation Mediators; Amines; Trimethyl Ammonium Compounds; P-glycoprotein inducers; Amino Alcohols; Phosphatidic Acids; Cardiovascular Agents; Alcohols; Phospholipid Ethers; P-glycoprotein substrates; Glycerophosphates; Phospholipids; Biological Factors; Onium Compounds; Lipids; Glycerophospholipids; Neurotransmitter Agents; Autacoids; Ethanolamines; Blood Coagulation Factors; Adrenergic Agents; Membrane Lipids	CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O						46508665						CHEMBL1235246	
DB02261	Platelet Activating Factor	BE0001432	GM2A	P17900	SAP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"1-alkyl,2-acetylglycero-3-phosphocholines"	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines	Quaternary Ammonium Compounds; Inflammation Mediators; Amines; Trimethyl Ammonium Compounds; P-glycoprotein inducers; Amino Alcohols; Phosphatidic Acids; Cardiovascular Agents; Alcohols; Phospholipid Ethers; P-glycoprotein substrates; Glycerophosphates; Phospholipids; Biological Factors; Onium Compounds; Lipids; Glycerophospholipids; Neurotransmitter Agents; Autacoids; Ethanolamines; Blood Coagulation Factors; Adrenergic Agents; Membrane Lipids	CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O						46508665						CHEMBL1235246	
DB02264	O2-Sulfo-Glucuronic Acid	BE0000689	FGF1	P05230	FGF1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glucuronic acid derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O						46504842							
DB02264	O2-Sulfo-Glucuronic Acid	BE0001121	HGF	P14210	HGF_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glucuronic acid derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O						46504842							
DB02264	O2-Sulfo-Glucuronic Acid	BE0001541	HS3ST3A1	Q9Y663	HS3SA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glucuronic acid derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O						46504842							
DB02266	Flufenamic acid	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		17016423; 14996743; 17139284; 10592235	"Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Lovering AL, Ride JP, Bunce CM, Desmond JC, Cummings SM, White SA: Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. Cancer Res. 2004 Mar 1;64(5):1802-10.@@Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates"	OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F						46507173	D01581	PA166049190			Flufenamic_acid	CHEMBL23588	4453
DB02266	Flufenamic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates"	OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F						46507173	D01581	PA166049190			Flufenamic_acid	CHEMBL23588	4453
DB02266	Flufenamic acid	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Musculo-Skeletal System; Benzoates; Anti-Inflammatory Agents; Acids, Carbocyclic; ortho-Aminobenzoates; OAT1/SLC22A6 inhibitors; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Benzene Derivatives; Fenamates; Aminobenzoates"	OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F						46507173	D01581	PA166049190			Flufenamic_acid	CHEMBL23588	4453
DB02271	S-(2-oxo)pentadecylcoa	BE0003780	NMT2	O60551	NMT2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	S-alkyl-CoAs	Organic compounds; Lipids and lipid-like molecules; S-alkyl-CoAs		[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1						46504583							
DB02277	1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C						46504956						CHEMBL87277	
DB02279	Benzoylformic Acid	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoyl derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives	"Hydroxy Acids; Acids, Aldehydic; Acids, Carbocyclic"	OC(=O)C(=O)C1=CC=CC=C1						46505242						CHEMBL950	
DB02281	Formycin	BE0001128	MTAP	Q13126	MTAP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Ribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides"	[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O						46507685						CHEMBL471524	
DB02282	5'-S-methyl-5'-thioadenosine	BE0001128	MTAP	Q13126	MTAP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	5'-deoxy-5'-thionucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides"	"Purines; Enzyme Inhibitors; Nucleosides; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Antiprotozoals; Antineoplastic Agents; Amino Acids; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Nucleic Acid Synthesis Inhibitors; Deoxyribonucleosides; Purinones; Folic Acid Antagonists; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Xanthine derivatives; Amino Acids, Dicarboxylic; Anti-Infective Agents; Sulfur Compounds; Glutamates; Protein O-Methyltransferase, antagonists & inhibitors"	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N						46508330						CHEMBL277041	
DB02292	Irosustat	BE0001197	STS	P08842	STS_HUMAN	inhibitor	10910045	"Purohit A, Woo LW, Potter BV, Reed MJ: In vivo inhibition of estrone sulfatase activity and growth of nitrosomethylurea-induced mammary tumors by 667 COUMATE. Cancer Res. 2000 Jul 1;60(13):3394-6."	Investigational	Cycloheptapyrans	Organic compounds; Organoheterocyclic compounds; Cycloheptapyrans	"Steryl-Sulfatase, antagonists & inhibitors; Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic"	NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1						46507132					Irosustat	CHEMBL286738	
DB02296	Isoamyl alcohol	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Lipids; Alcohols; Fatty Alcohols	CC(C)CCO						46508883					Isoamyl_alcohol	CHEMBL372396	
DB02300	Calcipotriol	BE0000779	VDR	P11473	VDR_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Antipsoriatics for Topical Use; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Antipsoriatics; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cholestenes; Steroids; Membrane Lipids; Secosteroids	O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1					894	46507122	D01125	PA448714		DAP000292	Calcipotriol	CHEMBL1200666	29365
DB02303	"(5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione"	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N1C[C@H](I)C(=O)N([H])C1=O						46505684							
DB02306	Palmitoyl-Linoleoyl Phosphatidylcholine	BE0000935	PCTP	Q9UKL6	PPCT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phosphatidylcholines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines		CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC						46507296							
DB02308	"4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium"	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dioxaborolanes	Organic compounds; Organoheterocyclic compounds; Dioxaborolanes		[NH3+]CCCCOB1OCCO1						46506216							
DB02309	5-monophosphate-9-beta-D-ribofuranosyl xanthine	BE0000077	HPRT1	P00492	HPRT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O						46504859							
DB02310	"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium"	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenanthrolines	Organic compounds; Organoheterocyclic compounds; Phenanthrolines		CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1						46508662							
DB02318	2-deoxy-2-fluoro-alpha-D-mannosyl fluoride	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F						46508173							
DB02320	N-beta-D-glucopyranosylacetamide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O						46504986						CHEMBL335315	
DB02329	Carbenoxolone	BE0000329	HSD11B1	P28845	DHI1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Pentacyclic Triterpenes; Triterpenes; Drugs for Acid Related Disorders; Gastrointestinal Agents; Alimentary Tract and Metabolism; Terpenes	[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O						46508820				DNC000388	Carbenoxolone	CHEMBL499915	2017
DB02335	2-Aminothiazoline	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiazolines	Organic compounds; Organoheterocyclic compounds; Azolines; Thiazolines	Sulfur Compounds	NC1=NCCS1						46506807						CHEMBL362148	
DB02338	NADPH	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46508520					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL407009	
DB02338	NADPH	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46508520					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL407009	
DB02338	NADPH	BE0000073	AASS	Q9UDR5	AASS_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46508520					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL407009	
DB02340	N-Acetyl-Serine	BE0000004	F13A1	P00488	F13A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(=O)N[C@@H](CO)C(O)=O						46504512							
DB02341	"Mdl 101,146"	BE0000394	ELANE	P08246	ELNE_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Hydrocarbons, Halogenated; Pancreatic Elastase, antagonists & inhibitors; Oxazines; Peptides; Amino Acids, Peptides, and Proteins; Hydrocarbons, Fluorinated"	CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F						46506771							
DB02342	2-Methoxyestradiol	BE0002089	COMT	P21964	COMT_HUMAN		1170911	"Parvez S, Parvez SH, Youdim MB: Variation in activity of monoamine metabolizing enzymes in rat liver during pregnancy. Br J Pharmacol. 1975 Feb;53(2):241-6."	Investigational			"Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3						175426854		PA13496724			2-Methoxyestradiol	CHEMBL299613	
DB02342	2-Methoxyestradiol	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		12810639	"Dawling S, Roodi N, Parl FF: Methoxyestrogens exert feedback inhibition on cytochrome P450 1A1 and 1B1. Cancer Res. 2003 Jun 15;63(12):3127-32."	Investigational			"Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3						175426854		PA13496724			2-Methoxyestradiol	CHEMBL299613	
DB02342	2-Methoxyestradiol	BE0002090	CYP19A1	P11511	CP19A_HUMAN		10405348	"Purohit A, Singh A, Ghilchik MW, Reed MJ: Inhibition of tumor necrosis factor alpha-stimulated aromatase activity by microtubule-stabilizing agents, paclitaxel and 2-methoxyestradiol. Biochem Biophys Res Commun. 1999 Jul 22;261(1):214-7."	Investigational			"Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3						175426854		PA13496724			2-Methoxyestradiol	CHEMBL299613	
DB02342	2-Methoxyestradiol	BE0002374	HIF1A	Q16665	HIF1A_HUMAN		17716391; 17498737	"Zhou D, Matchett GA, Jadhav V, Dach N, Zhang JH: The effect of 2-methoxyestradiol, a HIF-1 alpha inhibitor, in global cerebral ischemia in rats. Neurol Res. 2008 Apr;30(3):268-71. Epub 2007 Aug 22.@@Dai Y, Xu M, Wang Y, Pasha Z, Li T, Ashraf M: HIF-1alpha induced-VEGF overexpression in bone marrow stem cells protects cardiomyocytes against ischemia. J Mol Cell Cardiol. 2007 Jun;42(6):1036-44. Epub 2007 Apr 6."	Investigational			"Fused-Ring Compounds; Mitosis Modulators; Steroids; Tubulin Modulators; Gonadal Steroid Hormones; Antimitotic Agents; Gonadal Hormones; Estranes; Hormones; Estradiol Congeners; Antineoplastic Agents; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3						175426854		PA13496724			2-Methoxyestradiol	CHEMBL299613	
DB02347	2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Receptors, AMPA, antagonists & inhibitors; Organophosphorus Compounds"	CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1						46507382						CHEMBL594840	
DB02348	Monofluorophosphate ion	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Non-metal phosphonates	Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal phosphonates	"Toothpastes; Anions; Electrolytes; Ions; Phosphorus Compounds; Phosphoric Acids; Acids; Fluorine Compounds; Protective Agents; Cariostatic Agents; Phosphorus Acids; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[O-]P([O-])(F)=O						46508730							1546445
DB02350	"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide"	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO						46506272						CHEMBL1234370	
DB02352	3-(Benzyloxy)Pyridin-2-Amine	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives		NC1=NC=CC=C1OCC1=CC=CC=C1						46508486						CHEMBL194009	
DB02352	3-(Benzyloxy)Pyridin-2-Amine	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives		NC1=NC=CC=C1OCC1=CC=CC=C1						46508486						CHEMBL194009	
DB02358	LY374571	BE0000617	MTHFD1	P11586	C1TC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H]						46505256							
DB02359	"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12						46507270						CHEMBL113194	
DB02367	(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O						46506803						CHEMBL358064	
DB02373	Adenosine monotungstate	BE0001687	FHIT	P49789	FHIT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O						46508688							
DB02375	Myricetin	BE0004145	JAK1	P23458	JAK1_HUMAN		18995957	"Kumamoto T, Fujii M, Hou DX: Myricetin directly targets JAK1 to inhibit cell transformation. Cancer Lett. 2009 Mar 8;275(1):17-26. doi: 10.1016/j.canlet.2008.09.027. Epub 2008 Nov 7."	Experimental	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans"	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1						46508126					Myricetin	CHEMBL164	1368374
DB02377	Guanine	BE0001055	GCH1	P30793	GCH1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Purines and purine derivatives	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Purinones; Xanthine derivatives"	NC1=NC(=O)C2=C(N1)N=CN2		Gout or Kelley-Seegmiller Syndrome; Purine Metabolism; Lesch-Nyhan Syndrome (LNS); Myoadenylate Deaminase Deficiency; Molybdenum Cofactor Deficiency; Adenine Phosphoribosyltransferase Deficiency (APRT); Mercaptopurine Action Pathway; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Thioguanine Action Pathway; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Xanthine Dehydrogenase Deficiency (Xanthinuria); Purine Nucleoside Phosphorylase Deficiency; Adenylosuccinate Lyase Deficiency; Xanthinuria Type II	disease; metabolic; drug_action			46507057				DNC000709	Guanine	CHEMBL219568	1372539
DB02379	Beta-D-Glucose	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0001056	GCK	P35557	HXK4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0001108	HK1	P19367	HXK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0004581	SMARCA5	O60264	SMCA5_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0001671	AMY1A	P04745	AMY1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0004512	NCAN	O14594	NCAN_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02379	Beta-D-Glucose	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Glycosides; Carbohydrates; Hexoses; Monosaccharides	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O						46505414	D00009					CHEMBL1614854	1442190
DB02381	nor-NOHA	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCNC(=N)NO)C(O)=O						46505343						CHEMBL1234777	
DB02383	Tolrestat	BE0004352	AKR1A1	P14550	AK1A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Withdrawn	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	"Drugs Used in Diabetes; Enzyme Inhibitors; Aldehyde Reductase, antagonists & inhibitors; Aldose Reductase Inhibitors; Alimentary Tract and Metabolism"	COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F						46508274	D02323			DNC001455	Tolrestat	CHEMBL436	38386
DB02383	Tolrestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	11752352; 10592235	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Withdrawn	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	"Drugs Used in Diabetes; Enzyme Inhibitors; Aldehyde Reductase, antagonists & inhibitors; Aldose Reductase Inhibitors; Alimentary Tract and Metabolism"	COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F						46508274	D02323			DNC001455	Tolrestat	CHEMBL436	38386
DB02386	Leucine Phosphonic Acid	BE0003882	LAP3	P28838	AMPL_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic phosphonic acids	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids	"Amino Acids; Organophosphorus Compounds; Amino Acids, Branched-Chain; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](N)P(O)(O)=O						46505851						CHEMBL40422	
DB02388	"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine"	BE0001097	MAPK10	P53779	MK10_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1						46504625						CHEMBL437747	
DB02393	"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate"	BE0001073	PFKFB1	P16118	F261_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pentose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O						46506678							
DB02396	Methylethylamine	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		CCNC						46507472					Ethylmethylamine	CHEMBL1232589	
DB02401	"4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid"	BE0000068	LDHB	P07195	LDHB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Furazans	Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles	Oxazoles	OC(=O)C1=NON=C1O						46505730							
DB02402	"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC=C(OC2=CC=CC3=NC(N)=NC(N)=C23)C=C1						46508061							
DB02418	"(R,R)-2,3-Butanediol"	BE0004530	UBE2D2	P62837	UB2D2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		C[C@@H](O)[C@H](C)O						46506166							
DB02420	"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCC1=CC=C(NC(=O)C(O)=O)C=C1						46506318						CHEMBL426815	
DB02424	Geldanamycin	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	"Protease Inhibitors; Quinones; Anti-Infective Agents; Lactams; Enzyme Inhibitors; Antibiotics, Antineoplastic; Amides; Tyrosine Kinase Inhibitors; Cysteine Proteinase Inhibitors; Antineoplastic Agents"	CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O						46505674		PA152031327		DCL000325	Geldanamycin	CHEMBL278315	
DB02427	"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1						46507703						CHEMBL325434	
DB02436	{4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O						46506177							
DB02447	"3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N1C(=O)N(O)C(=O)[C@]11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46508685						CHEMBL611940	
DB02448	N-Tridecanoic Acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		CCCCCCCCCCCCC(O)=O						46505422						CHEMBL107874	
DB02449	3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines		[H][C@@](CC1=CNC2=CC=CC=C12)(NS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1)C(O)=O						46506875						CHEMBL91649	
DB02451	B-nonylglucoside	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46508456						CHEMBL490225	
DB02452	Thymidine 5'-triphosphate	BE0004639	TK2	O00142	KITM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine 2'-deoxyribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides"	"Pyrimidine Nucleotides; Deoxyribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O						46508083					Deoxythymidine_Triphosphate	CHEMBL363559	
DB02458	"S-(2,4-dinitrophenyl)glutathione"	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Haptens; Peptides; Amino Acids, Peptides, and Proteins"	[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O						46504887						CHEMBL1232997	
DB02458	"S-(2,4-dinitrophenyl)glutathione"	BE0001189	GSTM2	P28161	GSTM2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Haptens; Peptides; Amino Acids, Peptides, and Proteins"	[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O						46504887						CHEMBL1232997	
DB02465	Methoxy arachidonyl fluorophosphonate	BE0002194	FAAH	O00519	FAAH1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phosphonic acid esters	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid esters	"Phospholipases A, antagonists & inhibitors; Fatty Acids, Essential; Enzyme Inhibitors; Organophosphorus Compounds; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated"	[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC						46504573					Methoxy_arachidonyl_fluorophosphonate		
DB02466	BMS-181156	BE0000144	RARG	P13631	RARG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Retrochalcones	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones"		CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O						46505888						CHEMBL95700	
DB02468	12-Phenylheme	BE0000735	HMOX1	P09601	HMOX1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC1C(C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(C=C)=C8N7[Fe++]6(N34)N2C1=C8C1=CC=CC=C1)C(C)=C5CCC(O)=O						46505538							
DB02471	Nojirimycine Tetrazole	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Tetrazoles		[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O						46506623							
DB02472	"7,8-dihydroinosine"	BE0002214	ADA	P00813	ADA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H]						46505878							
DB02482	Phosphonothreonine	BE0000923	MAPK1	P28482	MK01_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	D-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O						46506053							
DB02482	Phosphonothreonine	BE0004475	PRKACB	P22694	KAPCB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	D-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O						46506053							
DB02491	4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine	BE0000748	FGFR2	P21802	FGFR2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl						46505042						CHEMBL233209	
DB02492	Ghavamiol	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines	"Nitrogen Compounds; Pentoses; Sugar Alcohols; Pyrrolidines; Onium Compounds; Amines; Carbohydrates; Imines; Alcohols; Ammonium Compounds; Monosaccharides; Glycoside Hydrolases, antagonists & inhibitors; Imino Sugars"	[H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-]						46507384							
DB02494	(S)-3-phenyllactic acid	BE0003824	RPL13A	P40429	RL13A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		O[C@@H](CC1=CC=CC=C1)C(O)=O						46509007							
DB02494	(S)-3-phenyllactic acid	BE0003825	RPL23	P62829	RL23_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		O[C@@H](CC1=CC=CC=C1)C(O)=O						46509007							
DB02494	(S)-3-phenyllactic acid	BE0003827	RPL19	P84098	RL19_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		O[C@@H](CC1=CC=CC=C1)C(O)=O						46509007							
DB02494	(S)-3-phenyllactic acid	BE0003828	RPL23A	P62750	RL23A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		O[C@@H](CC1=CC=CC=C1)C(O)=O						46509007							
DB02498	Carba-nicotinamide-adenine-dinucleotide	BE0001717	PARP1	P09874	PARP1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O						46507626							
DB02499	Dinor-N(Omega)-Hydroxy-L-Arginine	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](C\N=C(/N)NO)C(O)=O						46506971							
DB02504	[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1						46506847						CHEMBL149502	
DB02506	"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"	BE0003810	PPP1CA	P62136	PP1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC						46508526							
DB02506	"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"	BE0003750	PPP2R1A	P30153	2AAA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC						46508526							
DB02506	"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"	BE0002326	PPP2CA	P67775	PP2AA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC						46508526							
DB02506	"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"	BE0003749	PPP2R5C	Q13362	2A5G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC						46508526							
DB02506	"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"	BE0003811	PPP2R2A	P63151	2ABA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC						46508526							
DB02509	Farnesol	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	agonist	15491415	"Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Fatty Alcohols; Sesquiterpenes; Lipids; Alcohols; Terpenes	CC(C)=CCC\C(C)=C/CC\C(C)=C/CO						46508260					Farnesol		1362903
DB02509	Farnesol	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Fatty Alcohols; Sesquiterpenes; Lipids; Alcohols; Terpenes	CC(C)=CCC\C(C)=C/CC\C(C)=C/CO						46508260					Farnesol		1362903
DB02510	5'-O-(L-Prolylsulfamoyl)adenosine	BE0000188	EPRS	P07814	SYEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COS(=O)(=O)N([H])C(=O)[C@@H]4CCCN4[H])[C@@H](O)[C@H]3O)C2=NC=N1						46506105						CHEMBL1163086	
DB02512	"1,6-Fructose Diphosphate (Linear Form)"	BE0004565	ALDOB	P05062	ALDOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O						46507105						CHEMBL1235115	
DB02515	sn-glycerol 3-phosphate	BE0004565	ALDOB	P05062	ALDOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glycerophosphates	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates		OC[C@@H](O)COP(O)(O)=O		"De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:1(11Z)/20:1(11Z)); Glycerol Kinase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/20:1(11Z))"	disease; metabolic			46508424					Glycerol_3-phosphate	CHEMBL1232920	
DB02515	sn-glycerol 3-phosphate	BE0001073	PFKFB1	P16118	F261_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glycerophosphates	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates		OC[C@@H](O)COP(O)(O)=O		"De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:1(11Z)/20:1(11Z)); Glycerol Kinase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/18:1(9Z)/20:1(11Z))"	disease; metabolic			46508424					Glycerol_3-phosphate	CHEMBL1232920	
DB02518	N-Acetylalanine	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins"	C[C@H](NC(C)=O)C(O)=O						46504953							
DB02519	Indirubin-5-sulphonate	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		[H]N1C(=O)\C(C2=C1C=CC(=C2)S(O)(=O)=O)=C1/N([H])C2=CC=CC=C2C1=O						46507110							
DB02527	Cyclic adenosine monophosphate	BE0004497	PRKAR2B	P31323	KAP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"3',5'-cyclic purine nucleotides"	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides"	"Nucleotides, Cyclic; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; OAT3/SLC22A8 Substrates; Purine Nucleotides; Purines; Ribonucleotides; Cyclic AMP; OAT1/SLC22A6 Substrates; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1		Molybdenum Cofactor Deficiency; Excitatory Neural Signalling Through 5-HTR 6 and Serotonin; Intracellular Signalling Through FSH Receptor and Follicle Stimulating Hormone; Xanthinuria Type I; Azathioprine Action Pathway; AICA-Ribosiduria; Lysophosphatidic Acid LPA5 Signalling; Excitatory Neural Signalling Through 5-HTR 7 and Serotonin; Purine Nucleoside Phosphorylase Deficiency; Lysophosphatidic Acid LPA6 Signalling; Excitatory Neural Signalling Through 5-HTR 4 and Serotonin; Vasopressin Regulation of Water Homeostasis; Corticotropin Activation of Cortisol Production; Thioguanine Action Pathway; Intracellular Signalling Through Histamine H2 Receptor and Histamine; Xanthine Dehydrogenase Deficiency (Xanthinuria); Intracellular Signalling Through PGD2 receptor and Prostaglandin D2; Intracellular Signalling Through Adenosine Receptor A2b and Adenosine; Purine Metabolism; Intracellular Signalling Through Adenosine Receptor A2a and Adenosine; Lysophosphatidic Acid LPA1 Signalling; Mitochondrial DNA Depletion Syndrome; Adenosine Deaminase Deficiency; Lysophosphatidic Acid LPA4 Signalling; Xanthinuria Type II; Myoadenylate Deaminase Deficiency; Lysophosphatidic Acid LPA2 Signalling; Intracellular Signalling Through Prostacyclin Receptor and Prostacyclin; Dopamine Activation of Neurological Reward System; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action			46508991					Cyclic_adenosine_monophosphate	CHEMBL316966	1314330
DB02528	Tetrazolyl Histidine	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		[H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O						46505135							
DB02530	gamma-Aminobutyric acid	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN		15627515	"Olianas MC, Ambu R, Garau L, Onali P: Allosteric modulation of GABA(B) receptor function in human frontal cortex. Neurochem Int. 2005 Jan;46(2):149-58."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; GABA Agents; Aminobutyrates; Neurotransmitter Agents; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates"	NCCCC(O)=O		4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Homocarnosinosis; Glutamate Metabolism; 2-Hydroxyglutric Aciduria (D and L Form); Hyperinsulinism-Hyperammonemia Syndrome	disease; metabolic			46507841	D00058				Gamma-Aminobutyric_acid	CHEMBL96	4617
DB02530	gamma-Aminobutyric acid	BE0002340	GABBR2	O75899	GABR2_HUMAN		15627515	"Olianas MC, Ambu R, Garau L, Onali P: Allosteric modulation of GABA(B) receptor function in human frontal cortex. Neurochem Int. 2005 Jan;46(2):149-58."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; GABA Agents; Aminobutyrates; Neurotransmitter Agents; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates"	NCCCC(O)=O		4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Homocarnosinosis; Glutamate Metabolism; 2-Hydroxyglutric Aciduria (D and L Form); Hyperinsulinism-Hyperammonemia Syndrome	disease; metabolic			46507841	D00058				Gamma-Aminobutyric_acid	CHEMBL96	4617
DB02530	gamma-Aminobutyric acid	BE0000347	GATM	P50440	GATM_HUMAN		9915841	"Fritsche E, Humm A, Huber R: The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study. J Biol Chem. 1999 Jan 29;274(5):3026-32."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; GABA Agents; Aminobutyrates; Neurotransmitter Agents; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates"	NCCCC(O)=O		4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency; Succinic Semialdehyde Dehydrogenase Deficiency; Homocarnosinosis; Glutamate Metabolism; 2-Hydroxyglutric Aciduria (D and L Form); Hyperinsulinism-Hyperammonemia Syndrome	disease; metabolic			46507841	D00058				Gamma-Aminobutyric_acid	CHEMBL96	4617
DB02541	4-Hydroxybutan-1-Aminium	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkanolamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		[NH3+]CCCCO						46506838							
DB02545	Fexaramine	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1						46505254					Fexaramine	CHEMBL192966	
DB02546	Vorinostat	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	inhibitor	17694093; 11752352	"Xu WS, Parmigiani RB, Marks PA: Histone deacetylase inhibitors: molecular mechanisms of action. Oncogene. 2007 Aug 13;26(37):5541-52.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1					20475	46508989	D06320	PA164748224		DAP001082	Vorinostat	CHEMBL98	194337
DB02546	Vorinostat	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	inhibitor	17694093	"Xu WS, Parmigiani RB, Marks PA: Histone deacetylase inhibitors: molecular mechanisms of action. Oncogene. 2007 Aug 13;26(37):5541-52."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1					20475	46508989	D06320	PA164748224		DAP001082	Vorinostat	CHEMBL98	194337
DB02546	Vorinostat	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN				Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1					20475	46508989	D06320	PA164748224		DAP001082	Vorinostat	CHEMBL98	194337
DB02546	Vorinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	26876786; 26855567; 16391874; 12678732; 34443600; 28812060	"Wang ZT, Chen ZJ, Jiang GM, Wu YM, Liu T, Yi YM, Zeng J, Du J, Wang HS: Histone deacetylase inhibitors suppress mutant p53 transcription via HDAC8/YY1 signals in triple negative breast cancer cells. Cell Signal. 2016 May;28(5):506-515. doi: 10.1016/j.cellsig.2016.02.006. Epub 2016 Feb 11.@@Mates JM, de Silva S, Lustberg M, Van Deusen K, Baiocchi RA, Wu L, Kwiek JJ: A Novel Histone Deacetylase Inhibitor, AR-42, Reactivates HIV-1 from Chronically and Latently Infected CD4(+) T-cells. Retrovirology (Auckl). 2015;7:1-5. doi: 10.4137/RRT.S31632. Epub 2015 Oct 15.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Giuliano M, Pellerito C, Celesia A, Fiore T, Emanuele S: Tributyltin(IV) Butyrate: A Novel Epigenetic Modifier with ER Stress- and Apoptosis-Inducing Properties in Colon Cancer Cells. Molecules. 2021 Aug 19;26(16). pii: molecules26165010. doi: 10.3390/molecules26165010.@@Jaime-Ramirez AC, Yu JG, Caserta E, Yoo JY, Zhang J, Lee TJ, Hofmeister C, Lee JH, Kumar B, Pan Q, Kumar P, Baiocchi R, Teknos T, Pichiorri F, Kaur B, Old M: Reolysin and Histone Deacetylase Inhibition in the Treatment of Head and Neck Squamous Cell Carcinoma. Mol Ther Oncolytics. 2017 May 10;5:87-96. doi: 10.1016/j.omto.2017.05.002. eCollection 2017 Jun 16."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Myelosuppressive Agents; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Hyperglycemia-Associated Agents; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Antineoplastic Agents; Potential QTc-Prolonging Agents; Anilides; Aniline Compounds; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1					20475	46508989	D06320	PA164748224		DAP001082	Vorinostat	CHEMBL98	194337
DB02547	Guanosine-5'-Diphosphate-Rhamnose	BE0003278	GMDS	O60547	GMDS_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars"		C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O						46504876						CHEMBL1233001	
DB02548	D-glucitol 6-phosphate	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Carbohydrates	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46508367							
DB02550	"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1						46505988						CHEMBL112953	
DB02553	Glutathionylspermidine disulfide	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])CCCCN([H])CCCN([H])C(=O)CN([H])C(=O)[C@H](CSSC[C@H](N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O)C(=O)N([H])CC(=O)N([H])CCCN([H])CCCCN([H])[H])N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O						46505065							
DB02556	D-Phenylalanine	BE0000273	CCBL1	Q16773	KAT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@H](CC1=CC=CC=C1)C(O)=O						46505758					Phenylalanine	CHEMBL379630	
DB02557	Phosphoramidon	BE0000266	MME	P08473	NEP_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Anti-Infective Agents; Metalloendopeptidases, antagonists & inhibitors; Enzyme Inhibitors; Carbohydrates; Peptides; Glycoconjugates; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O						46506179				DNC001121	Phosphoramidon	CHEMBL479579	
DB02558	N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine	BE0000266	MME	P08473	NEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O						46505323							
DB02559	"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2						46505268							
DB02563	Hexanoyl-CoA	BE0004500	ECHS1	P30084	ECHM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3,4-saturated fatty acyl CoAs"	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46507427							
DB02565	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Aniline Compounds; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Amides; Anilides; Hydroxamic Acids; Antineoplastic Agents	CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO						46507995						CHEMBL140000	
DB02580	Pentaglyme	BE0004295	PFN2	P35080	PROF2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkyl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		COCCOCCOCCOCCOCCOC						46506612							
DB02583	"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine"	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"		COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1						46508317						CHEMBL32113	
DB02585	4-(Hydroxymethyl)Benzamidine	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl alcohols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols		NC(=N)C1=CC=C(CO)C=C1						46506913						CHEMBL184048	
DB02587	Colforsin	BE0003732	ADCY2	Q08462	ADCY2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0003731	GNAS	P63092	GNAS2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0003733	ADCY5	O95622	ADCY5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0001195	CFTR	P13569	CFTR_HUMAN	inhibitor	15194485	"Ramesh Babu PB, Chidekel A, Utidjian L, Shaffer TH: Regulation of apical surface fluid and protein secretion in human airway epithelial cell line Calu-3. Biochem Biophys Res Commun. 2004 Jul 9;319(4):1132-7."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0010179	ADCY1	O60503	ADCY9_HUMAN	activator	12215855; 26718405; 2153444; 10969137; 17995938	"Uckert S, Stief CG, Lietz B, Burmester M, Jonas U, Machtens SA: Possible role of bioactive peptides in the regulation of human detrusor smooth muscle - functional effects in vitro and immunohistochemical presence. World J Urol. 2002 Sep;20(4):244-9. doi: 10.1007/s00345-002-0287-y. Epub 2002 Jul 23.@@Al-Hazza A, Linley J, Aziz Q, Hunter M, Sandle G: Upregulation of basolateral small conductance potassium channels (KCNQ1/KCNE3) in ulcerative colitis. Biochem Biophys Res Commun. 2016 Feb 5;470(2):473-478. doi: 10.1016/j.bbrc.2015.12.086. Epub 2015 Dec 21.@@Lando M, Abemayor E, Verity MA, Sidell N: Modulation of intracellular cyclic adenosine monophosphate levels and the differentiation response of human neuroblastoma cells. Cancer Res. 1990 Feb 1;50(3):722-7.@@Aiyar N, Disa J, Dang K, Pronin AN, Benovic JL, Nambi P: Involvement of G protein-coupled receptor kinase-6 in desensitization of CGRP receptors. Eur J Pharmacol. 2000 Sep 1;403(1-2):1-7. doi: 10.1016/s0014-2999(00)00419-2.@@Monaghan TK, Mackenzie CJ, Plevin R, Lutz EM: PACAP-38 induces neuronal differentiation of human SH-SY5Y neuroblastoma cells via cAMP-mediated activation of ERK and p38 MAP kinases. J Neurochem. 2008 Jan;104(1):74-88. doi: 10.1111/j.1471-4159.2007.05018.x. Epub 2007 Nov 6."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	activator	7705467	"Hamada Y, Nakaya Y, Hamada S, Kamada M, Aono T: Activation of K+ channels by ritodrine hydrochloride in uterine smooth muscle cells from pregnant women. Eur J Pharmacol. 1994 Dec 15;288(1):45-51. doi: 10.1016/0922-4106(94)90008-6."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02587	Colforsin	BE0004367	CREBBP	Q92793	CBP_HUMAN	activator	15030385	"Hansen TV, Rehfeld JF, Nielsen FC: KCl and forskolin synergistically up-regulate cholecystokinin gene expression via coordinate activation of CREB and the co-activator CBP. J Neurochem. 2004 Apr;89(1):15-23. doi: 10.1046/j.1471-4159.2003.02252.x."	Experimental; Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	"P-glycoprotein inhibitors; Cardiovascular Agents; Diterpenes; Immunologic Factors; Vasodilating Agents; Anti-Asthmatic Agents; Protective Agents; Adjuvants, Immunologic; Bronchodilator Agents; Compounds used in a research, industrial, or household setting; Respiratory System Agents; Terpenes; Peripheral Nervous System Agents; Autonomic Agents; Cardiotonic Agents"	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C						46509044	D03584	PA146096022			Forskolin	CHEMBL52606	
DB02589	Se-Ethyl-Isoselenourea	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Selenoethers	Organic compounds; Organometallic compounds; Organometalloid compounds; Organoselenium compounds	Selenium Compounds	CC[Se]C(N)=N						46504841							
DB02594	2'-Deoxycytidine	BE0004639	TK2	O00142	KITM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Pyrimidine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides"		NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1						46508326					Deoxycytidine	CHEMBL66115	
DB02594	2'-Deoxycytidine	BE0002804	DCK	P27707	DCK_HUMAN				Experimental; Investigational	Pyrimidine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides"		NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1						46508326					Deoxycytidine	CHEMBL66115	
DB02596	"alpha,beta-Methyleneadenosine 5'-triphosphate"	BE0001832	NMNAT3	Q96T66	NMNA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antineoplastic Agents"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O						46507991						CHEMBL132722	
DB02597	"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala"	BE0000266	MME	P08473	NEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O						46505753				DNC001441			
DB02598	"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine"	BE0002200	PAM	P19021	AMD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O						46507272							
DB02604	2-Deoxy-Glucose-6-Phosphate	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1						46506221							
DB02615	Compound 19	BE0000123	ESR1	P03372	ESR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1						46506493						CHEMBL180792	
DB02615	Compound 19	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1						46506493						CHEMBL180792	
DB02616	FR117016	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1						46505554						CHEMBL93647	
DB02620	3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O						46506574							
DB02621	Latrunculin A	BE0004161	GSN	P06396	GELS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	Sulfur Compounds; Porifera; Thiazoles	[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1						46508901					Latrunculin	CHEMBL404116	
DB02622	2-(Oxalyl-Amino)-Benzoic Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O						46505623						CHEMBL139050	
DB02623	Aminophosphonic acid-guanylate ester	BE0004618	CDC42	P60953	CDC42_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O						46506806							
DB02628	"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide"	BE0001156	XIAP	P98170	XIAP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(NC)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]1([H])CCCC2=C1C=CC=C2)C(C)(C)C						46505788						CHEMBL1230662	
DB02637	Oxaloacetate Ion	BE0000909	SPR	P35270	SPRE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Short-chain keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives		OC(=O)C(=O)CC([O-])=O						46508157							
DB02640	Fumagillin	BE0001534	METAP2	P50579	MAP2_HUMAN	ligand	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Growth Inhibitors; Anti-Infective Agents; Cycloparaffins; Angiogenesis Modulating Agents; Antiparasitic Products, Insecticides and Repellents; Growth Substances; Angiogenesis Inhibitors; Lipids; Antiprotozoals; Fatty Acids; Antiparasitic Agents; Antineoplastic Agents; Terpenes"	CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O					8516	46505331				DNC000664	Fumagillin	CHEMBL32838	
DB02643	"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate"	BE0003418	IGF1	P05019	IGF1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Nitrogen Compounds; Detergents; Amines; Onium Compounds; Ammonium Compounds; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O						46505495							
DB02643	"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate"	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives	"Nitrogen Compounds; Detergents; Amines; Onium Compounds; Ammonium Compounds; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O						46505495							
DB02644	N-omega-propyl-L-arginine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O						46507586							
DB02646	Nitrosoethane	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-nitroso compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic nitroso compounds		CCN=O						46508090							
DB02648	(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium	BE0000496	CRAT	P43155	CACP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts		C[N+](C)(C)C[C@H](O)CC(O)=O						46504891						CHEMBL1229656	
DB02648	(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium	BE0000373	CROT	Q9UKG9	OCTC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carnitines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts		C[N+](C)(C)C[C@H](O)CC(O)=O						46504891						CHEMBL1229656	
DB02651	"{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"Linear 1,3-diarylpropanoids"	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids"		OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1						46507391						CHEMBL267048	
DB02659	Cholic Acid	BE0000465	ADH1C	P00326	ADH1G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			46507063	D10699	PA166160055				CHEMBL205596	1440856
DB02659	Cholic Acid	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			46507063	D10699	PA166160055				CHEMBL205596	1440856
DB02659	Cholic Acid	BE0001967	FABP6	P51161	FABP6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			46507063	D10699	PA166160055				CHEMBL205596	1440856
DB02659	Cholic Acid	BE0003990	COX6C	P09669	COX6C_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			46507063	D10699	PA166160055				CHEMBL205596	1440856
DB02659	Cholic Acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN		13130122	"Fujino T, Une M, Imanaka T, Inoue K, Nishimaki-Mogami T: Structure-activity relationship of bile acids and bile acid analogs in regard to FXR activation. J Lipid Res. 2004 Jan;45(1):132-8. Epub 2003 Sep 16."	Approved	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	OATP1B1/SLCO1B1 Inhibitors; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; P-glycoprotein inducers; OATP1B1/SLCO1B1 Inducers; Cholic Acids; Bile acids and derivatives; Bile Acid Preparations; Steroids; Alimentary Tract and Metabolism; Fused-Ring Compounds; Cholanes; Bile Therapy; BSEP/ABCB11 Substrates; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Bile and Liver Therapy	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			46507063	D10699	PA166160055				CHEMBL205596	1440856
DB02660	Filaminast	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Amines; Hydroxylamines	COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O						46506759					Filaminast	CHEMBL590754	
DB02661	"Adenosine-5'-diphosphate-2',3'-vanadate"	BE0003094	PAPSS1	O43252	PAPS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	Vanadates	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12						46506868							
DB02662	Novo Nordisk a/S Compound	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O						46505054						CHEMBL336908	
DB02670	4-Deoxy-Alpha-D-Glucose	BE0004581	SMARCA5	O60264	SMCA5_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oxanes	Organic compounds; Organoheterocyclic compounds; Oxanes		[H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O						46508502							
DB02671	1-Methylimidazole	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-substituted imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CN1C=C[NH+]=C1						46506280					1-Methylimidazole		
DB02676	"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		OCC(CO)(CO)NCCCNC(CO)(CO)CO						46504824						CHEMBL63859	
DB02684	5'-O-(L-Cysteinylsulfamoyl)adenosine	BE0000188	EPRS	P07814	SYEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]						46504849						CHEMBL1163074	
DB02685	3-Methylphenylalanine	BE0000939	CTSB	P07858	CATB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC1=CC=CC(C[C@H](N)C(O)=O)=C1						46505706						CHEMBL1231013	
DB02689	S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CSCCS(N)(=O)=O)C(O)=O						46507249							
DB02690	NU1025	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring"	CC1=NC2=C(C=CC=C2O)C(=O)N1						46508590						CHEMBL123904	
DB02691	Glycocholic acid	BE0001967	FABP6	P51161	FABP6_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Glycinated bile acids and derivatives	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	"Fused-Ring Compounds; Amino Acids; Steroids; Detergents; Bile Acids and Salts; Cholic Acids; Cholanes; Cholagogues and Choleretics; Surface-Active Agents; N-substituted Glycines; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Household Products; Compounds used in a research, industrial, or household setting"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O						46507924					Glycocholic_acid		1426482
DB02696	"6-Aminohexyl-uridine-C1,5'-diphosphate"	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"		[H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O						46507992							
DB02697	Hydroxyaminovaline	BE0000966	MMP13	P45452	MMP13_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(C)[C@@H](N)C(=O)NO						46508565							
DB02697	Hydroxyaminovaline	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(C)[C@@H](N)C(=O)NO						46508565							
DB02701	Nicotinamide	BE0001717	PARP1	P09874	PARP1_HUMAN	binder	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Nicotinamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Vitamins; Vitamin B Complex; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Nicotinic Acids; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Pyridines; Micronutrients	NC(=O)C1=CC=CN=C1		Nicotinate and Nicotinamide Metabolism	metabolic		5019	46507386	D00036			DAP001410	Nicotinamide	CHEMBL1140	7405
DB02709	Resveratrol	BE0003721	AHR	P35869	AHR_HUMAN		15634023	"de Medina P, Casper R, Savouret JF, Poirot M: Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators. J Med Chem. 2005 Jan 13;48(1):287-91."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0008985	PI4K2B	Q8TCG2	P4K2B_HUMAN		16102733	"Srivastava R, Ratheesh A, Gude RK, Rao KV, Panda D, Subrahmanyam G: Resveratrol inhibits type II phosphatidylinositol 4-kinase: a key component in pathways of phosphoinositide turn over. Biochem Pharmacol. 2005 Oct 1;70(7):1048-55."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0008988	ITGA5	P08648	ITA5_HUMAN		23943159	"Davis PJ, Mousa SA, Cody V, Tang HY, Lin HY: Small molecule hormone or hormone-like ligands of integrin alphaVbeta3: implications for cancer cell behavior. Horm Cancer. 2013 Dec;4(6):335-42. doi: 10.1007/s12672-013-0156-8. Epub 2013 Aug  14."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0003392	APP	P05067	A4_HUMAN		17597573	"Ahn JS, Lee JH, Kim JH, Paik SR: Novel method for quantitative determination of amyloid fibrils of alpha-synuclein and amyloid beta/A4 protein by using resveratrol. Anal Biochem. 2007 Aug 15;367(2):259-65. Epub 2007 May 26."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000878	SNCA	P37840	SYUA_HUMAN		17597573	"Ahn JS, Lee JH, Kim JH, Paik SR: Novel method for quantitative determination of amyloid fibrils of alpha-synuclein and amyloid beta/A4 protein by using resveratrol. Anal Biochem. 2007 Aug 15;367(2):259-65. Epub 2007 May 26."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000123	ESR1	P03372	ESR1_HUMAN		19496085	"Lappano R, Rosano C, Madeo A, Albanito L, Plastina P, Gabriele B, Forti L, Stivala LA, Iacopetta D, Dolce V, Ando S, Pezzi V, Maggiolini M: Structure-activity relationships of resveratrol and derivatives in breast cancer cells. Mol Nutr Food Res. 2009 Jul;53(7):845-58. doi: 10.1002/mnfr.200800331."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000515	MTNR1A	P48039	MTR1A_HUMAN		20399199	"Ferry G, Hecht S, Berger S, Moulharat N, Coge F, Guillaumet G, Leclerc V, Yous S, Delagrange P, Boutin JA: Old and new inhibitors of quinone reductase 2. Chem Biol Interact. 2010 Jul 30;186(2):103-9. doi: 10.1016/j.cbi.2010.04.006. Epub 2010 May 4."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000327	MTNR1B	P49286	MTR1B_HUMAN		20399199	"Ferry G, Hecht S, Berger S, Moulharat N, Coge F, Guillaumet G, Leclerc V, Yous S, Delagrange P, Boutin JA: Old and new inhibitors of quinone reductase 2. Chem Biol Interact. 2010 Jul 30;186(2):103-9. doi: 10.1016/j.cbi.2010.04.006. Epub 2010 May 4."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000956	NR1I2	O75469	NR1I2_HUMAN		20869355	"Dring AM, Anderson LE, Qamar S, Stoner MA: Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. Chem Biol Interact. 2010 Dec 5;188(3):512-25. doi: 10.1016/j.cbi.2010.09.018. Epub 2010 Oct 20."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0001057	SLC2A1	P11166	GTR1_HUMAN		23615963	"Salas M, Obando P, Ojeda L, Ojeda P, Perez A, Vargas-Uribe M, Rivas CI, Vera JC, Reyes AM: Resolution of the direct interaction with and inhibition of the human GLUT1 hexose transporter by resveratrol from its effect on glucose accumulation. Am J Physiol Cell Physiol. 2013 Jul 1;305(1):C90-9. doi: 10.1152/ajpcell.00387.2012. Epub 2013 Apr 24."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000071	PPARA	Q07869	PPARA_HUMAN		24454499	"Konno H, Kanai Y, Katagiri M, Watanabe T, Mori A, Ikuta T, Tani H, Fukushima S, Tatefuji T, Shirasawa T: Melinjo (Gnetum gnemon L.) Seed Extract Decreases Serum Uric Acid Levels in Nonobese Japanese Males: A Randomized Controlled Study. Evid Based Complement Alternat Med. 2013;2013:589169. doi: 10.1155/2013/589169. Epub 2013 Dec 17."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02709	Resveratrol	BE0000215	PPARG	P37231	PPARG_HUMAN		24454499	"Konno H, Kanai Y, Katagiri M, Watanabe T, Mori A, Ikuta T, Tani H, Fukushima S, Tatefuji T, Shirasawa T: Melinjo (Gnetum gnemon L.) Seed Extract Decreases Serum Uric Acid Levels in Nonobese Japanese Males: A Randomized Controlled Study. Evid Based Complement Alternat Med. 2013;2013:589169. doi: 10.1155/2013/589169. Epub 2013 Dec 17."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cytochrome P-450 CYP2B6 Inhibitors; Antioxidants; Cytochrome P-450 CYP2D6 Inhibitors; Stilbenes; Enzyme Inhibitors; Angiogenesis Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP1A2 Inducers; Protective Agents; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anticarcinogenic Agents; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Compounds used in a research, industrial, or household setting; Stilbestrols; Cytochrome P-450 CYP2C19 Inhibitors; Hematologic Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Polyphenols; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1						46504705		PA165291838		DNC001205	Resveratrol	CHEMBL165	1000492
DB02712	Sorbinil	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	11752352; 10592235	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Hydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	"Imidazoles; Aldehyde Reductase, antagonists & inhibitors"	FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1						46504981				DCL000270	Sorbinil	CHEMBL266497	
DB02715	Compound 18	BE0000123	ESR1	P03372	ESR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Benzoates; Acids, Carbocyclic; Benzene Derivatives; Iodobenzoates"	[H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1						46505605						CHEMBL180300	
DB02719	C-(1-hydrogyl-beta-D-glucopyranosyl) formamide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N([H])C(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46507973							
DB02720	alpha-D-glucopyranosyl-2-carboxylic acid amide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N([H])C(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46508481						CHEMBL135302	
DB02721	4-Iodopyrazole	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl iodides	Organic compounds; Organohalogen compounds; Aryl halides; Aryl iodides		IC1=CNN=C1						46504835							
DB02721	4-Iodopyrazole	BE0000227	ADH1A	P07327	ADH1A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aryl iodides	Organic compounds; Organohalogen compounds; Aryl halides; Aryl iodides		IC1=CNN=C1						46504835							
DB02726	2-Phosphoglycolic Acid	BE0004460	ENO3	P13929	ENOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monoalkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters		OC(=O)COP(O)(O)=O						46506266						CHEMBL47181	
DB02726	2-Phosphoglycolic Acid	BE0000046	PKLR	P30613	KPYR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Monoalkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters		OC(=O)COP(O)(O)=O						46506266						CHEMBL47181	
DB02727	2-butyl-1-hydroxyguanidine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-hydroxyguanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Amidines	CCCC\N=C(/N)NO						46505170						CHEMBL308745	
DB02730	4-Methylthio-Alpha-D-Mannose	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O						46504645							
DB02731	Ethylmercurithiosalicylic acid	BE0002256	OXCT1	P55809	SCOT1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	O-sulfanylbenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		CC[Hg]SC1=CC=CC=C1C(O)=O						46506518							1546427
DB02733	Purvalanol	BE0004323	SRPK2	P78362	SRPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C						46505031				DNC001164		CHEMBL23254	
DB02733	Purvalanol	BE0002216	CDK4	P11802	CDK4_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C						46505031				DNC001164		CHEMBL23254	
DB02733	Purvalanol	BE0000923	MAPK1	P28482	MK01_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C						46505031				DNC001164		CHEMBL23254	
DB02735	2-Amino-3-Oxo-4-Sulfo-Butyric Acid	BE0001197	STS	P08842	STS_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O						46505449							
DB02740	3-Indolebutyric Acid	BE0003482	HLA-A	P04439	1A03_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Heterocyclic Compounds, Fused-Ring"	OC(=O)CCCC1=CNC2=C1C=CC=C2						46505244						CHEMBL582878	
DB02741	CD564	BE0000144	RARG	P13631	RARG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones		CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O						46504721						CHEMBL309282	
DB02742	Kifunensine	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Enzyme Inhibitors	[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O						46505714					Kifunensine	CHEMBL1233851	
DB02746	Phthalic Acid	BE0000123	ESR1	P03372	ESR1_HUMAN		14579009	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0000557	PGR	P06401	PRGR_HUMAN		14579009	"Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Anal Bioanal Chem. 2004 Feb;378(3):664-9. Epub 2003 Oct 25."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0000792	ESR2	Q92731	ESR2_HUMAN		15840436	"Takeuchi S, Iida M, Kobayashi S, Jin K, Matsuda T, Kojima H: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor. Toxicology. 2005 Jun 1;210(2-3):223-33."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0000215	PPARG	P37231	PPARG_HUMAN		23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02746	Phthalic Acid	BE0000412	RXRA	P19793	RXRA_HUMAN		23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Carbocyclic"	OC(=O)C1=CC=CC=C1C(O)=O						46506083					Phthalic_acid	CHEMBL1045	
DB02750	S-(Methylmercury)-L-Cysteine	BE0004053	EFTUD1	Q7Z2Z2	ETUD1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cysteine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		C[Hg]SC[C@@H](N)C(O)=O						46505119							
DB02754	"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12						46505689						CHEMBL113690	
DB02757	Pyrazole	BE0000123	ESR1	P03372	ESR1_HUMAN		17909483	"Naoum F, Kasiotis KM, Magiatis P, Haroutounian SA: Synthesis of novel nitro-substituted triaryl pyrazole derivatives as potential estrogen receptor ligands. Molecules. 2007 Jul 2;12(7):1259-73."	Experimental	Pyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors"	N1C=CC=N1						46505905					Pyrazole	CHEMBL15967	
DB02757	Pyrazole	BE0000792	ESR2	Q92731	ESR2_HUMAN		17909483	"Naoum F, Kasiotis KM, Magiatis P, Haroutounian SA: Synthesis of novel nitro-substituted triaryl pyrazole derivatives as potential estrogen receptor ligands. Molecules. 2007 Jul 2;12(7):1259-73."	Experimental	Pyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors"	N1C=CC=N1						46505905					Pyrazole	CHEMBL15967	
DB02757	Pyrazole	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Enzyme Inhibitors; Alcohol Dehydrogenase, antagonists & inhibitors"	N1C=CC=N1						46505905					Pyrazole	CHEMBL15967	
DB02778	"2,5-Anhydroglucitol-1,6-Biphosphate"	BE0002431	FBP1	P09467	F16P1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pentose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O						46509175							
DB02779	Dodecyltrimethylammonium	BE0001071	PTPN11	Q06124	PTN11_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Nitrogen Compounds; Detergents; Amines; Onium Compounds; Ammonium Compounds; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)C						46506419		PA451988				CHEMBL1180004	
DB02784	N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				[H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr						46507801							
DB02789	Pregnenolone	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Progesterone Congeners; Pregnenes; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C						46506718	D00143			DNC001147	Pregnenolone	CHEMBL253363	114052
DB02789	Pregnenolone	BE0001264	SULT2B1	O00204	ST2B1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Progesterone Congeners; Pregnenes; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C						46506718	D00143			DNC001147	Pregnenolone	CHEMBL253363	114052
DB02800	"5-hydroxymethyl-5,6-dihydrofolic acid"	BE0000331	SHMT1	P34896	GLYC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1						46505894							
DB02803	"3-Phenyl-1,2-Propandiol"	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		OC[C@@H](O)CC1=CC=CC=C1						46505837							
DB02811	Diethyl phosphonate	BE0002180	BCHE	P06276	CHLE_HUMAN				Experimental	Phosphonic acid diesters	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid diesters		[H]P(=O)(OCC)OCC						46506603							
DB02818	Iodo-Willardiine	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O						46506600						CHEMBL121915	
DB02820	"1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct"	BE0000317	HSD17B10	Q99714	HCD2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental										46505535							
DB02822	Para-Bromobenzyl Alcohol	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl alcohols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols	Alcohols; Benzyl Compounds; Benzene Derivatives	OCC1=CC=C(Br)C=C1						46507455						CHEMBL184410	
DB02824	N-Pyridoxyl-Glycine-5-Monophosphate	BE0000331	SHMT1	P34896	GLYC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridoxamine 5'-phosphates	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines		CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O						46507957							
DB02824	N-Pyridoxyl-Glycine-5-Monophosphate	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridoxamine 5'-phosphates	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines		CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O						46507957							
DB02827	"7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O						46504664						CHEMBL577144	
DB02830	FR236913	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O						46504522						CHEMBL125386	
DB02834	IDD552	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Hydrocarbons, Halogenated; Sulfur Compounds; Benzene Derivatives; Hydrocarbons, Fluorinated"	OC(=O)COC1=CC(F)=CC=C1C(=O)NCC1=NC2=C(S1)C(F)=CC(F)=C2F						46508624						CHEMBL399598	
DB02835	"Alpha-D-Glucose 1,6-Bisphosphate"	BE0004461	PGM1	P36871	PGM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O						46504846							
DB02838	"3,4-Dihydro-2h-Pyrrolium-5-Carboxylate"	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolines	Organic compounds; Organoheterocyclic compounds; Pyrrolines		[O-]C(=O)C1=[NH+]CCC1		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic			46504530						CHEMBL18591	
DB02840	"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1						46509084						CHEMBL178130	
DB02843	alpha-D-glucose-1-phosphate	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Hexosephosphates; Carbohydrates	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O						46504861							
DB02845	Methylphosphinic Acid	BE0002180	BCHE	P06276	CHLE_HUMAN				Experimental	Organophosphorus compounds	Organic compounds; Organophosphorus compounds	"Phosphorus Compounds; Organophosphorus Compounds; Acids; Cholinesterase Inhibitors; Phosphorus Acids; Acids, Noncarboxylic"	CP(O)=O						46508696							
DB02848	"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol"	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1						46505789						CHEMBL123678	
DB02852	Domoic Acid	BE0000826	GRIK2	Q13002	GRIK2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Kainoids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Neuromuscular Agents; Pyrrolidines; Central Nervous System Depressants; Neurotoxins; Peripheral Nervous System Agents	[H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O						46505755					Domoic_acid	CHEMBL1232313	
DB02854	Aetiocholanolone	BE0002840	HSD17B11	Q8NBQ5	DHB11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids		[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C		Androstenedione Metabolism	metabolic			46507911					Etiocholanolone	CHEMBL85799	
DB02855	N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Cathepsin Inhibitors; Central Nervous System Agents; Enzyme Inhibitors; Oligopeptides; Peptides; Protective Agents; Cathepsin B, antagonists & inhibitors; Cysteine Proteinase Inhibitors; Amino Acids, Peptides, and Proteins; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	[H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC						46507264							
DB02859	Soraphen A	BE0000702	ACACB	O00763	ACACB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	Lactones; Polyketides	[H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC						46505293						CHEMBL1235782	
DB02860	Calyculin A	BE0001447	PPP1CC	P36873	PP1G_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Cardiovascular Agents; Biological Factors; Enzyme Inhibitors; Phosphoprotein Phosphatases, antagonists & inhibitors; Toxins, Biological; Vasoconstrictor Agents; Noxae; Toxic Actions; Carcinogens"	[H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC						46506773					Calyculin	CHEMBL430266	
DB02869	3-amino-5-phenylpentane	BE0001909	CTSV	O60911	CATL2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1						46507600							
DB02871	3-Butylthiolane 1-Oxide	BE0000465	ADH1C	P00326	ADH1G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiolanes	Organic compounds; Organoheterocyclic compounds; Thiolanes	"Alcohol Dehydrogenase, antagonists & inhibitors; Sulfur Compounds"	[H][C@]1(CCCC)CC[S@](=O)C1						46504507							
DB02873	"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One"	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl						46509163						CHEMBL94417	
DB02877	Arotinoid acid	BE0000206	RARB	P10826	RARB_HUMAN		15546741; 10592235	"Alvarez R, Vega MJ, Kammerer S, Rossin A, Germain P, Gronemeyer H, de Lera AR: 9-cis-retinoic acid analogues with bulky hydrophobic rings: new RXR-selective agonists. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6117-22.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Acids, Carbocyclic; Benzene Derivatives; Carotenoids; Cyclohexanes; Pigments, Biological; Terpenes"	C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C						46507753						CHEMBL275311	
DB02889	"4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46508293						CHEMBL1230193	
DB02893	D-Methionine	BE0001534	METAP2	P50579	MAP2_HUMAN		16540317	"Nonato MC, Widom J, Clardy J: Human methionine aminopeptidase type 2 in complex with L- and D-methionine. Bioorg Med Chem Lett. 2006 May 15;16(10):2580-3. Epub 2006 Mar 15."	Approved; Experimental; Investigational	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CSCC[C@@H](N)C(O)=O						46505884						CHEMBL1234268	
DB02895	3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Sulfoxides	Organic compounds; Organosulfur compounds; Sulfoxides		S\C=C\C[S@](=O)CC=C						46505601							
DB02900	alpha-D-mannose 6-phosphate	BE0003623	IGF2R	P11717	MPRI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O						46506202						CHEMBL402001	
DB02901	Stanolone	BE0000123	ESR1	P03372	ESR1_HUMAN		12676605	"Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502."	Illicit; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Androgens; Thyroxine-binding globulin inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; P-glycoprotein substrates; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Gonadal Hormones; Androstanols; Androstanes; Testosterone and derivatives; Gonadal Steroid Hormones; 5-Androstanon (3) Derivatives; Androstan Derivatives; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C						46506828	D07456				Dihydrotestosterone	CHEMBL27769	
DB02901	Stanolone	BE0000668	NR3C2	P08235	MCR_HUMAN		17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Illicit; Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Androgens; Thyroxine-binding globulin inhibitors; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; P-glycoprotein substrates; Anabolic Steroids; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Anabolic Agents for Systemic Use; Gonadal Hormones; Androstanols; Androstanes; Testosterone and derivatives; Gonadal Steroid Hormones; 5-Androstanon (3) Derivatives; Androstan Derivatives; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C						46506828	D07456				Dihydrotestosterone	CHEMBL27769	
DB02910	Octanoyl-Coenzyme A	BE0004500	ECHS1	P30084	ECHM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3,4-saturated fatty acyl CoAs"	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46508781							
DB02911	"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pteridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives		[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1						46504888							
DB02917	N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1						46504715							
DB02918	Zardaverine	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives	Enzyme Inhibitors; Anti-Asthmatic Agents; Bronchodilator Agents; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Phosphodiesterase Inhibitors	COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1						46506162					Zardaverine	CHEMBL313842	
DB02919	"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine"	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"		COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC						46505269						CHEMBL32190	
DB02925	Piretanide	BE0000502	SLC12A1	Q13621	S12A1_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Natriuretic Agents; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular Agents; High-Ceiling Diuretics; Sulfones; Diuretics; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Sulfonamides; Membrane Transport Modulators	NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O						46507197	D01634			DNC001127	Piretanide	CHEMBL349803	33770
DB02930	Adenosine 5'-[gamma-thio]triphosphate	BE0004488	SYN1	P17600	SYN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Indicators and Reagents; Affinity Labels; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O						46507118						CHEMBL131890	
DB02930	Adenosine 5'-[gamma-thio]triphosphate	BE0001073	PFKFB1	P16118	F261_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Indicators and Reagents; Affinity Labels; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O						46507118						CHEMBL131890	
DB02930	Adenosine 5'-[gamma-thio]triphosphate	BE0002851	PMS2	P54278	PMS2_HUMAN				Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Indicators and Reagents; Affinity Labels; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O						46507118						CHEMBL131890	
DB02933	5'-Deoxy-5'-(Methylthio)-Tubercidin	BE0001128	MTAP	Q13126	MTAP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glycosylamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(CSC)O[C@@]([H])(N2C=CC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46507618						CHEMBL551561	
DB02936	4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		CC1=C(CC(N)=O)C2=C(C=CC(OCCCC(O)=O)=C2)N1CC1=CC=CC=C1						46504907						CHEMBL356752	
DB02942	"Inositol 1,3-Bisphosphate"	BE0001815	EEA1	Q15075	EEA1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols	O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O						46506084							
DB02955	Ricinoleic acid	BE0000095	CNR2	P34972	CNR2_HUMAN		16406364	"Appendino G, Cascio MG, Bacchiega S, Moriello AS, Minassi A, Thomas A, Ross R, Pertwee R, De Petrocellis L, Di Marzo V: First ""hybrid"" ligands of vanilloid TRPV1 and cannabinoid CB2 receptors and non-polyunsaturated fatty acid-derived CB2-selective ligands. FEBS Lett. 2006 Jan 23;580(2):568-74. Epub 2005 Dec 29."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Plant Preparations; Biological Products; Fatty Acids, Monounsaturated; Oleic Acids; Fats, Unsaturated; Lipids; Fatty Acids; Fatty Acids, Unsaturated; Fats"	CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O						46506721					Ricinoleic_acid	CHEMBL3186422	35605
DB02955	Ricinoleic acid	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN		16406364	"Appendino G, Cascio MG, Bacchiega S, Moriello AS, Minassi A, Thomas A, Ross R, Pertwee R, De Petrocellis L, Di Marzo V: First ""hybrid"" ligands of vanilloid TRPV1 and cannabinoid CB2 receptors and non-polyunsaturated fatty acid-derived CB2-selective ligands. FEBS Lett. 2006 Jan 23;580(2):568-74. Epub 2005 Dec 29."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Plant Preparations; Biological Products; Fatty Acids, Monounsaturated; Oleic Acids; Fats, Unsaturated; Lipids; Fatty Acids; Fatty Acids, Unsaturated; Fats"	CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O						46506721					Ricinoleic_acid	CHEMBL3186422	35605
DB02964	"8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O						46505703						CHEMBL489798	
DB02966	Fluoro-Willardiine	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O						46506706						CHEMBL123132	
DB02967	N-Ethylmaleimide	BE0001886	CLC	Q05315	LEG10_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Maleimides	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones	"Indicators and Reagents; Dicarboxylic Acids; Enzyme Inhibitors; Sulfhydryl Reagents; Maleates; Maleimides; Acids, Acyclic; Imides; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	CCN1C(=O)C=CC1=O						46509138					N-Ethylmaleimide	CHEMBL8211	
DB02977	PNU177836	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives		[H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C						46504805							
DB02979	"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane"	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isothioureas	Organic compounds; Organosulfur compounds; Isothioureas		CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC						46505712							
DB02983	Para-Mercury-Benzenesulfonic Acid	BE0001886	CLC	Q05315	LEG10_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives		OS(=O)(=O)C1=CC=C([Hg])C=C1						46507852							
DB02983	Para-Mercury-Benzenesulfonic Acid	BE0000792	ESR2	Q92731	ESR2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives		OS(=O)(=O)C1=CC=C([Hg])C=C1						46507852							
DB02984	"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline"	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC						46507797						CHEMBL29641	
DB02988	Imino-Tryptophan	BE0004141	DAO	P14920	OXDA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O						46507068							
DB02991	S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes		CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F						46505446						CHEMBL323542	
DB02994	Cacodylic acid	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pentaorganoarsanes	Organic compounds; Organometallic compounds; Organometalloid compounds; Organoarsenic compounds	"Herbicides; Arsenicals; Pesticides; Agrochemicals; Toxic Actions; Compounds used in a research, industrial, or household setting"	C[As](C)(O)=O						46507712					Cacodylic_acid	CHEMBL1231644	
DB02994	Cacodylic acid	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pentaorganoarsanes	Organic compounds; Organometallic compounds; Organometalloid compounds; Organoarsenic compounds	"Herbicides; Arsenicals; Pesticides; Agrochemicals; Toxic Actions; Compounds used in a research, industrial, or household setting"	C[As](C)(O)=O						46507712					Cacodylic_acid	CHEMBL1231644	
DB02996	2-(Thiomethylene)-4-Methylpentanoic Acid	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methyl-branched fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		[H][C@](CS)(CC(C)C)C(O)=O						46508909							
DB02998	Metribolone	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Estranes; Steroids; Estrenes	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						46505539					Metribolone	CHEMBL166444	
DB02998	Metribolone	BE0000668	NR3C2	P08235	MCR_HUMAN		17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Estranes; Steroids; Estrenes	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						46505539					Metribolone	CHEMBL166444	
DB02998	Metribolone	BE0000557	PGR	P06401	PRGR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Estranes; Steroids; Estrenes	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						46505539					Metribolone	CHEMBL166444	
DB02998	Metribolone	BE0008983	KLK3	P07288	KLK3_HUMAN	activator	21712449	"Siddique HR, Mishra SK, Karnes RJ, Saleem M: Lupeol, a novel androgen receptor inhibitor: implications in prostate cancer therapy. Clin Cancer Res. 2011 Aug 15;17(16):5379-91. doi: 10.1158/1078-0432.CCR-11-0916. Epub 2011 Jun 28."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Estranes; Steroids; Estrenes	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						46505539					Metribolone	CHEMBL166444	
DB02999	Quisqualic acid	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Excitatory Amino Acid Agents; Excitatory Amino Acid Agonists; Amino Acids; Neurotransmitter Agents; Oxadiazoles; Amino Acids, Peptides, and Proteins; Oxazoles"	N[C@@H](CN1OC(=O)NC1=O)C(O)=O						46509075					Quisqualic_acid	CHEMBL279956	
DB02999	Quisqualic acid	BE0000826	GRIK2	Q13002	GRIK2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Excitatory Amino Acid Agents; Excitatory Amino Acid Agonists; Amino Acids; Neurotransmitter Agents; Oxadiazoles; Amino Acids, Peptides, and Proteins; Oxazoles"	N[C@@H](CN1OC(=O)NC1=O)C(O)=O						46509075					Quisqualic_acid	CHEMBL279956	
DB03000	S-9-(2-hydroxypropyl)adenine	BE0002214	ADA	P00813	ADA_HUMAN	inhibitor	17839440; 33997363	"DE Clercq E, Descamps J, DE Somer P, Holyacute A: (S)-9-(2,3-Dihydroxypropyl)adenine: An Aliphatic Nucleoside Analog with Broad-Spectrum Antiviral Activity. Science. 1978 May 5;200(4341):563-5. doi: 10.1126/science.200.4341.563.@@Sharmila Tagore S, Swaminathan J, Manikandan D, Gomathi S, Sabarinathan N, Ramalingam M, Sethuraman V: Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine. Heliyon. 2021 Apr 29;7(4):e06593. doi: 10.1016/j.heliyon.2021.e06593. eCollection 2021 Apr."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12						46508593							
DB03008	5-fluoro-beta-L-gulosyl fluoride	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental			Monosaccharides; Carbohydrates	[H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F						46505937							
DB03010	Patupilone	BE0000143	TUBB	P07437	TBB5_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1						46505629				DNC000616		CHEMBL94657	
DB03010	Patupilone	BE0001408	TUBB4A	P04350	TBB4A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1						46505629				DNC000616		CHEMBL94657	
DB03010	Patupilone	BE0001391	TUBA4A	P68366	TBA4A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1						46505629				DNC000616		CHEMBL94657	
DB03010	Patupilone	BE0001388	TUBA1C	Q9BQE3	TBA1C_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1						46505629				DNC000616		CHEMBL94657	
DB03010	Patupilone	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Epothilones and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Epothilones and analogues	Mitosis Modulators; Tubulin Modulators; Antimitotic Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Polyketides; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1						46505629				DNC000616		CHEMBL94657	
DB03013	N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O						46505382						CHEMBL467754	
DB03015	"6-hydroxy-1,6-dihydro purine nucleoside"	BE0002214	ADA	P00813	ADA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"		[H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H]						46508394							
DB03017	Lauric acid	BE0004019	HNF4A	P41235	HNF4A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCC(O)=O		"Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis"	disease; metabolic			46505943					Lauric_acid	CHEMBL108766	1363435
DB03017	Lauric acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCC(O)=O		"Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis"	disease; metabolic			46505943					Lauric_acid	CHEMBL108766	1363435
DB03017	Lauric acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13."	Approved; Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCC(O)=O		"Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis"	disease; metabolic			46505943					Lauric_acid	CHEMBL108766	1363435
DB03017	Lauric acid	BE0001432	GM2A	P17900	SAP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Lipids	CCCCCCCCCCCC(O)=O		"Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids; Beta Oxidation of Very Long Chain Fatty Acids; Carnitine-Acylcarnitine Translocase Deficiency; Adrenoleukodystrophy, X-Linked; Fatty Acid Biosynthesis"	disease; metabolic			46505943					Lauric_acid	CHEMBL108766	1363435
DB03020	5-beta-D-ribofuranosylnicotinamide adenine dinucleotide	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars"		NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46506222						CHEMBL1231859	
DB03023	"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine"	BE0004315	LYN	P07948	LYN_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1						46506310							
DB03024	2-Methyl-3-(2-Aminothiazolo)Propanal	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,4-disubstituted thiazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles		[H][C@](C)(CC1=CSC(N)=N1)C=O						46506107							
DB03028	1h-Benoximidazole-2-Carboxylic Acid	BE0000941	CTSD	P07339	CATD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		OC(=O)C1=NC2=CC=CC=C2N1						46508154							
DB03033	4-methoxybenzenesulfinate	BE0000966	MMP13	P45452	MMP13_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				COC1=CC=C(C=C1)S([O-])=O						46507429		PA451991				CHEMBL1234479	
DB03033	4-methoxybenzenesulfinate	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				COC1=CC=C(C=C1)S([O-])=O						46507429		PA451991				CHEMBL1234479	
DB03041	UDP-alpha-D-glucuronic acid	BE0001872	B3GAT3	O94766	B3GA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyrimidine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars"	"Pyrimidine Nucleotides; Uridine Diphosphate Sugars; Nucleoside Diphosphate Sugars; Glycosides; Ribonucleotides; Carbohydrates; Pyrimidines; Uridine Diphosphate; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides"	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O						46504863					Uridine_diphosphate_glucuronic_acid	CHEMBL228057	
DB03042	5-Phosphoarabinonic Acid	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O						46509004							
DB03044	Doramapimod	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	Amides; Protein Kinase Inhibitors; Benzene Derivatives	CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C						46506062	D03736					CHEMBL103667	
DB03048	6-Carboxymethyluracil	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroxypyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		OC(=O)CC1=CC(=O)NC(=O)N1						46507113						CHEMBL593503	
DB03052	Dazoxiben	BE0001893	TBXAS1	P24557	THAS_HUMAN	inhibitor	17139284; 17016423; 10592235; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1						46506407				DNC000518	Dazoxiben	CHEMBL267473	
DB03059	Acetoacetyl-CoA	BE0000377	HADH	Q16836	HCDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	3-oxo-acyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46506303					Acetoacetyl-CoA		
DB03059	Acetoacetyl-CoA	BE0004500	ECHS1	P30084	ECHM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-oxo-acyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46506303					Acetoacetyl-CoA		
DB03060	Sri-9662	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"		COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1						46506463							
DB03061	(R)-N-(1-Methyl-Hexyl)-Formamide	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Secondary carboxylic acid amides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives		CCCCC[C@H](C)NC=O						46505344							
DB03062	(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone	BE0004329	NMT1	P30419	NMT1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans	Supplements; Dietary Supplements	CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1						46505140						CHEMBL355497	
DB03064	"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline"	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Maleimides	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones		CCCCCCCCCCC1=C(O)C(=O)NC1=O						46508841							
DB03065	7-Nitroindazole-2-Carboxamidine	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O						46506294							
DB03067	"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C2)C=C1)C(O)=O						46507780						CHEMBL331057	
DB03072	"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone"	BE0001717	PARP1	P09874	PARP1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O						46504692						CHEMBL401843	
DB03073	3-Methoxybenzamide	BE0001717	PARP1	P09874	PARP1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Poly(ADP-ribose) Polymerase Inhibitors; Amides; Benzene Derivatives"	COC1=CC(=CC=C1)C(N)=O						46508871						CHEMBL123978	
DB03083	IC261	BE0003334	CSNK1G2	P78368	KC1G2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Phenols; Heterocyclic Compounds, Fused-Ring; Benzene Derivatives"	COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1						46509166						CHEMBL489156	
DB03084	"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine"	BE0001097	MAPK10	P53779	MK10_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1						46505259						CHEMBL252967	
DB03086	"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide"	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1						46504926						CHEMBL354739	
DB03088	Pidolic acid	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Imino Acids; Pyrrolidines; Amino Acids, Cyclic; Mineral Supplements; Amino Acids, Acidic; Glutamates; Pyrrolidinones; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	OC(=O)[C@@H]1CCC(=O)N1		gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria	disease; metabolic		13903	46506886					Pyroglutamic_acid	CHEMBL397976	9036
DB03088	Pidolic acid	BE0002639	AMY2A	P04746	AMYP_HUMAN				Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Imino Acids; Pyrrolidines; Amino Acids, Cyclic; Mineral Supplements; Amino Acids, Acidic; Glutamates; Pyrrolidinones; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	OC(=O)[C@@H]1CCC(=O)N1		gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria	disease; metabolic		13903	46506886					Pyroglutamic_acid	CHEMBL397976	9036
DB03088	Pidolic acid	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Imino Acids; Pyrrolidines; Amino Acids, Cyclic; Mineral Supplements; Amino Acids, Acidic; Glutamates; Pyrrolidinones; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	OC(=O)[C@@H]1CCC(=O)N1		gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria	disease; metabolic		13903	46506886					Pyroglutamic_acid	CHEMBL397976	9036
DB03088	Pidolic acid	BE0004439	HCRT	O43612	OREX_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Imino Acids; Pyrrolidines; Amino Acids, Cyclic; Mineral Supplements; Amino Acids, Acidic; Glutamates; Pyrrolidinones; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism"	OC(=O)[C@@H]1CCC(=O)N1		gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria	disease; metabolic		13903	46506886					Pyroglutamic_acid	CHEMBL397976	9036
DB03092	5-Hydroxymethyl-Chonduritol	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46505091						CHEMBL1233349	
DB03092	5-Hydroxymethyl-Chonduritol	BE0001671	AMY1A	P04745	AMY1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46505091						CHEMBL1233349	
DB03092	5-Hydroxymethyl-Chonduritol	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46505091						CHEMBL1233349	
DB03093	"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1						46507104						CHEMBL324951	
DB03096	2-Morpholinoethylamine	BE0000941	CTSD	P07339	CATD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		NCCN1CCOCC1						46505454						CHEMBL214205	
DB03100	6-Nitroindazole	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Nitric Oxide Synthase, antagonists & inhibitors; Pyrazoles; Heterocyclic Compounds, Fused-Ring"	O=N(=O)C1=CC2=NNC=C2C=C1						46504479						CHEMBL54277	
DB03102	"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1						46509006						CHEMBL138806	
DB03110	2-Chlorophenol	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	O-chlorophenols	Organic compounds; Benzenoids; Phenols; Halophenols	Chlorobenzenes; Phenols; Benzene Derivatives	OC1=CC=CC=C1Cl						46508177					2-Chlorophenol	CHEMBL108877	
DB03115	"5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide"	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1						46505983							
DB03120	p-Toluenesulfonic acid	BE0003970	CTSH	P09668	CATH_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	p-Methylbenzenesulfonates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives	Sulfur Acids; Arylsulfonic Acids; Arylsulfonates; Sulfur Compounds; Sulfonic Acids; Benzene Derivatives	CC1=CC=C(C=C1)S(O)(=O)=O						46507671					P-Toluenesulfonic_acid	CHEMBL541253	
DB03121	(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indole-3-acetic acid derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O						46505875						CHEMBL148756	
DB03125	"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles		COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC						46508671							
DB03126	Mant-Adp	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 2'-deoxyribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides"	"Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Benzoates; Acids, Carbocyclic; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Benzene Derivatives; Nucleotides; Aminobenzoates"	[H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12						46506974							
DB03127	Benzamidine	BE0001091	KLK1	P06870	KLK1_HUMAN		11151026	"Sousa MO, Miranda TL, Costa EB, Bittar ER, Santoro MM, Figueiredo AF: Linear competitive inhibition of human tissue kallikrein by 4-aminobenzamidine and benzamidine and linear mixed inhibition by 4-nitroaniline and aniline. Braz J Med Biol Res. 2001 Jan;34(1):35-44."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines	NC(=[NH2+])C1=CC=CC=C1						46504844				DNC000295	Benzamidine		
DB03127	Benzamidine	BE0001586	KLK6	Q92876	KLK6_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines	NC(=[NH2+])C1=CC=CC=C1						46504844				DNC000295	Benzamidine		
DB03127	Benzamidine	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines	NC(=[NH2+])C1=CC=CC=C1						46504844				DNC000295	Benzamidine		
DB03127	Benzamidine	BE0001656	ST14	Q9Y5Y6	ST14_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines	NC(=[NH2+])C1=CC=CC=C1						46504844				DNC000295	Benzamidine		
DB03128	Acetylcholine	BE0000560	CHRM2	P08172	ACM2_HUMAN		10101037	"Birdsall NJ, Farries T, Gharagozloo P, Kobayashi S, Lazareno S, Sugimoto M: Subtype-selective positive cooperative interactions between brucine analogs and acetylcholine at muscarinic receptors: functional studies. Mol Pharmacol. 1999 Apr;55(4):778-86."	Approved; Investigational	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Cholinergic Agonists; OCT1 substrates; Cardiovascular Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Ophthalmologicals; Amines; Cholinesterase substrates; Miotics; Neurotransmitter Agents; Biogenic Amines; Vasodilating Agents; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs	CC(=O)OCC[N+](C)(C)C		Famotidine Action Pathway; Nizatidine Action Pathway; Esomeprazole Action Pathway; Pantoprazole Action Pathway; Ranitidine Action Pathway; Gastric Acid Production; Pirenzepine Action Pathway; Omeprazole Action Pathway; Lafutidine H2-Antihistamine Action; Rabeprazole Action Pathway; Phospholipid Biosynthesis; Betazole Action Pathway; Metiamide Action Pathway; Cimetidine Action Pathway; Roxatidine Acetate Action Pathway; Lansoprazole Action Pathway	physiological; metabolic; drug_action		4957	46504484		PA448031			Acetylcholine	CHEMBL667	194
DB03128	Acetylcholine	BE0000045	CHRM3	P20309	ACM3_HUMAN		10101037	"Birdsall NJ, Farries T, Gharagozloo P, Kobayashi S, Lazareno S, Sugimoto M: Subtype-selective positive cooperative interactions between brucine analogs and acetylcholine at muscarinic receptors: functional studies. Mol Pharmacol. 1999 Apr;55(4):778-86."	Approved; Investigational	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Cholinergic Agonists; OCT1 substrates; Cardiovascular Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Ophthalmologicals; Amines; Cholinesterase substrates; Miotics; Neurotransmitter Agents; Biogenic Amines; Vasodilating Agents; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs	CC(=O)OCC[N+](C)(C)C		Famotidine Action Pathway; Nizatidine Action Pathway; Esomeprazole Action Pathway; Pantoprazole Action Pathway; Ranitidine Action Pathway; Gastric Acid Production; Pirenzepine Action Pathway; Omeprazole Action Pathway; Lafutidine H2-Antihistamine Action; Rabeprazole Action Pathway; Phospholipid Biosynthesis; Betazole Action Pathway; Metiamide Action Pathway; Cimetidine Action Pathway; Roxatidine Acetate Action Pathway; Lansoprazole Action Pathway	physiological; metabolic; drug_action		4957	46504484		PA448031			Acetylcholine	CHEMBL667	194
DB03128	Acetylcholine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		12626641	"Zhao L, Kuo YP, George AA, Peng JH, Purandare MS, Schroeder KM, Lukas RJ, Wu J: Functional properties of homomeric, human alpha 7-nicotinic acetylcholine receptors heterologously expressed in the SH-EP1 human epithelial cell line. J Pharmacol Exp Ther. 2003 Jun;305(3):1132-41. Epub 2003 Mar 6."	Approved; Investigational	Acyl cholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Cholinergic Agonists; OCT1 substrates; Cardiovascular Agents; Parasympathomimetics; Cholinergic Receptor Agonist; Ophthalmologicals; Amines; Cholinesterase substrates; Miotics; Neurotransmitter Agents; Biogenic Amines; Vasodilating Agents; Antiglaucoma Preparations and Miotics; Cholinergic Agents; Sensory Organs	CC(=O)OCC[N+](C)(C)C		Famotidine Action Pathway; Nizatidine Action Pathway; Esomeprazole Action Pathway; Pantoprazole Action Pathway; Ranitidine Action Pathway; Gastric Acid Production; Pirenzepine Action Pathway; Omeprazole Action Pathway; Lafutidine H2-Antihistamine Action; Rabeprazole Action Pathway; Phospholipid Biosynthesis; Betazole Action Pathway; Metiamide Action Pathway; Cimetidine Action Pathway; Roxatidine Acetate Action Pathway; Lansoprazole Action Pathway	physiological; metabolic; drug_action		4957	46504484		PA448031			Acetylcholine	CHEMBL667	194
DB03129	"Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium"	BE0001583	PRSS3	P35030	TRY3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dioxaborolanes	Organic compounds; Organoheterocyclic compounds; Dioxaborolanes		[H]N([H])C(N([H])[H])=[N+]([H])CCCOB1OCCO1						46506340							
DB03133	"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-pyranosylbenzimidazoles	"Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; 2-pyranosylbenzimidazoles"		[H][C@]1(CO)O[C@@]([H])(C2=NC3=C(N2)C=C(C)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46508048							
DB03137	"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1						46505734						CHEMBL326082	
DB03144	N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino"	N[C@@H](CCCNC(=N)NO)C(O)=O		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic			46506099						CHEMBL260629	
DB03144	N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino"	N[C@@H](CCCNC(=N)NO)C(O)=O		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic			46506099						CHEMBL260629	
DB03144	N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino"	N[C@@H](CCCNC(=N)NO)C(O)=O		"Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Ornithine Aminotransferase Deficiency (OAT Deficiency); Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Hyperprolinemia Type I; Hyperprolinemia Type II; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Arginine and Proline Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Prolinemia Type II; L-Arginine:Glycine Amidinotransferase Deficiency; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency"	disease; metabolic			46506099						CHEMBL260629	
DB03147	Flavin adenine dinucleotide	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0004574	ERO1B	Q86YB8	ERO1B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0002204	XDH	P47989	XDH_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0002364	POR	P16435	NCPR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0004566	IL4I1	Q96RQ9	OXLA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0000737	DLD	P09622	DLDH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0004507	CYB5R1	Q9UHQ9	NB5R1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0002196	MAOB	P27338	AOFB_HUMAN				Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03147	Flavin adenine dinucleotide	BE0004480	FDXR	P22570	ADRO_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Adenine Nucleotides; Coenzymes; Heterocyclic Compounds, Fused-Ring; Purine Nucleotides; Purines; Enzymes and Coenzymes; Ribonucleotides; Vitamin B Complex; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2		"Cerivastatin Action Pathway; Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Isovaleric Aciduria; Lysine Degradation; Riboflavin Metabolism; 5-Oxoprolinuria; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Propionic Acidemia; Hypercholesterolemia; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Phenylketonuria; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Lovastatin Action Pathway; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Glutathione Metabolism; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency"	disease; metabolic; drug_action			46508543	D00005				Flavin_adenine_dinucleotide	CHEMBL1232653	1314412
DB03153	"3H-pyrazolo[4,3-d]pyrimidin-7-ol"	BE0000077	HPRT1	P00492	HPRT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazolopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines		OC1=NC=NC2=C1N=NC2						46504970							
DB03154	{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O						46505029						CHEMBL1161221	
DB03158	"D-Myo-Inositol-1,4-Bisphosphate"	BE0004437	INPP5B	P32019	I5P2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O						46505669							
DB03169	(S)-Hmg-Coa	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(S)-3-hydroxy-3-alkylglutaryl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters		[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O						46506416							
DB03176	KB-141	BE0000315	THRB	P10828	THB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Acids, Carbocyclic; Phenols; Ethers; Benzene Derivatives; Ligands"	CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O						46506815						CHEMBL41036	
DB03181	"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione"	BE0000315	THRB	P10828	THB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O						46507308						CHEMBL125381	
DB03183	"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1						46508369							
DB03185	"1-Beta-Ribofuranosyl-1,3-Diazepinone"	BE0002443	CDA	P32320	CDD_HUMAN				Experimental				[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O						46505407							
DB03187	6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid	BE0002302	GCSH	P23434	GCSH_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		[H][C@](CCCCC(O)=O)(CCSCN)SSCCO						46504782							
DB03192	(R)-3-hydroxydecanoyl-CoA	BE0000408	HSD17B4	P51659	DHB4_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(R)-3-hydroxyacyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters		CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46504729							
DB03193	Stearic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13."	Approved; Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Fatty Acids; Stearic Acids; Lipids	CCCCCCCCCCCCCCCCCC(O)=O		Plasmalogen Synthesis; Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids	metabolic		9820	46508522	D00119				Stearic_acid	CHEMBL46403	1310551
DB03214	Vinylglycine	BE0004566	IL4I1	Q96RQ9	OXLA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins"	N[C@@H](C=C)C(O)=O						46506124							
DB03214	Vinylglycine	BE0003515	ACCS	Q96QU6	1A1L1_HUMAN		16667107	"Satoh S, Yang SF: Inactivation of 1-Aminocyclopropane-1-Carboxylate Synthase by l-Vinylglycine as Related to the Mechanism-Based Inactivation of the Enzyme by S-Adenosyl-l-Methionine. Plant Physiol. 1989 Nov;91(3):1036-9."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins"	N[C@@H](C=C)C(O)=O						46506124							
DB03218	N-acetyl-N'-beta-D-glucopyranosyl urea	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Carbohydrates; Hexoses; Monosaccharides; Amides; Glycogen Phosphorylase, antagonists & inhibitors"	CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46504854						CHEMBL443455	
DB03220	FR-234938	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O						46507240						CHEMBL93560	
DB03222	dATP	BE0000113	POLB	P06746	DPOLB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 2'-deoxyribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides"	"Deoxyribonucleotides; Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1						46507738					Deoxyadenosine_triphosphate	CHEMBL335538	
DB03225	D-Tryptophan	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O						46508031						CHEMBL292303	
DB03226	Trifluoroethanol	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fluorohydrins	Organic compounds; Organohalogen compounds; Halohydrins; Fluorohydrins	Alcohols	OCC(F)(F)F						46505995					"2,2,2-Trifluoroethanol"	CHEMBL116675	
DB03227	Nicotinamide Mononucleotide	BE0001832	NMNAT3	Q96T66	NMNA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Nicotinamide nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides"	"Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O						46506664							2262276
DB03240	"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O						46506060						CHEMBL337577	
DB03247	Flavin mononucleotide	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03247	Flavin mononucleotide	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03247	Flavin mononucleotide	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03247	Flavin mononucleotide	BE0004105	SGK1	O00141	SGK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03247	Flavin mononucleotide	BE0002364	POR	P16435	NCPR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03247	Flavin mononucleotide	BE0003043	PPCDC	Q96CD2	COAC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Flavin nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides"	"Pteridines; Vitamins; Flavins; Biological Factors; Heterocyclic Compounds, Fused-Ring; Coenzymes; Vitamin B Complex; Ribonucleotides; Enzymes and Coenzymes; Photoenhancer; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pigments, Biological; Micronutrients"	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2		"Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Dihydropyrimidinase Deficiency; Hyperornithinemia with Gyrate Atrophy (HOGA); Riboflavin Metabolism; Carnosinuria, Carnosinemia; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hyperprolinemia Type II; Pantothenate and CoA Biosynthesis; beta-Ureidopropionase Deficiency; Hypophosphatasia; L-Arginine:Glycine Amidinotransferase Deficiency; Vitamin B6 Metabolism; Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]; Doxorubicin Metabolism Pathway; UMP Synthase Deficiency (Orotic Aciduria); Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Prolidase Deficiency (PD); Pyrimidine Metabolism; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Ornithine Aminotransferase Deficiency (OAT Deficiency); beta-Alanine Metabolism; Hyperprolinemia Type I; Nitric Oxide Signaling Pathway; Arginine and Proline Metabolism; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; Prolinemia Type II"	drug_metabolism; disease; metabolic; signaling		5015	46507603					Flavin_mononucleotide	CHEMBL1201794	
DB03250	"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-pyranosylbenzothiazoles	"Organic compounds; Nucleosides, nucleotides, and analogues; Nucleoside and nucleotide analogues; 2-pyranosylbenzothiazoles"		[H][C@]1(CO)O[C@@]([H])(C2=NC3=CC(C)=CC=C3S2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46505292							
DB03277	alpha-maltotriose	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oligosaccharides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O						46507051						CHEMBL1234363	
DB03279	Dodecyl-Alpha-D-Maltoside	BE0000144	RARG	P13631	RARG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O						46504707						CHEMBL1234048	
DB03286	C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-]						46509005							
DB03292	3-Phosphono-D-alanine	BE0004590	PSPH	P78330	SERB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	D-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](N)(CP(O)(O)=O)C(O)=O						46506843						CHEMBL1231023	
DB03297	Benzylsulfonic acid	BE0004453	SOD2	P04179	SODM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Hydrocarbons, Acyclic; Alkanesulfonates; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CC1=CC=CC=C1						46507289						CHEMBL1171433	
DB03305	N(G)-Iminoethylornithine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Nitric Oxide Synthase, antagonists & inhibitors; Amino Acids, Diamino"	CC(=N)NCCC[C@H](N)C(O)=O						46507343						CHEMBL11471	
DB03309	N-cyclohexyltaurine	BE0001264	SULT2B1	O00204	ST2B1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Cyclohexylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines	"Hydrocarbons, Acyclic; Buffers; Alkanesulfonic Acids; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CCNC1CCCCC1						46506550					CHES_(buffer)		2049985
DB03310	Glutathione disulfide	BE0009997	GPX5	Q8TED1	GPX8_HUMAN		18566333	"Heyob KM, Rogers LK, Welty SE: Glutathione reductase targeted to type II cells does not protect mice from hyperoxic lung injury. Am J Respir Cell Mol Biol. 2008 Dec;39(6):683-8. doi: 10.1165/rcmb.2008-0112OC. Epub 2008 Jun 19."	Approved; Experimental; Investigational	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O					1951	46508372	D00031				Glutathione_disulfide	CHEMBL1372	25953
DB03310	Glutathione disulfide	BE0002282	MGST1	P10620	MGST1_HUMAN	activator	2492517	"Aniya Y, Anders MW: Activation of rat liver microsomal glutathione S-transferase by reduced oxygen species. J Biol Chem. 1989 Feb 5;264(4):1998-2002."	Approved; Experimental; Investigational	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O					1951	46508372	D00031				Glutathione_disulfide	CHEMBL1372	25953
DB03310	Glutathione disulfide	BE0001189	GSTM2	P28161	GSTM2_HUMAN	activator	2492517	"Aniya Y, Anders MW: Activation of rat liver microsomal glutathione S-transferase by reduced oxygen species. J Biol Chem. 1989 Feb 5;264(4):1998-2002."	Approved; Experimental; Investigational	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O					1951	46508372	D00031				Glutathione_disulfide	CHEMBL1372	25953
DB03310	Glutathione disulfide	BE0000648	GSR	P00390	GSHR_HUMAN	substrate	8651901	"Tamura T, McMicken HW, Smith CV, Hansen TN: Mitochondrial targeting of glutathione reductase requires a leader sequence. Biochem Biophys Res Commun. 1996 May 24;222(3):659-63. doi: 10.1006/bbrc.1996.0800."	Approved; Experimental; Investigational	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O					1951	46508372	D00031				Glutathione_disulfide	CHEMBL1372	25953
DB03311	"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1						46504995						CHEMBL1232829	
DB03312	Brivudine	BE0004639	TK2	O00142	KITM_HUMAN	substrate	16630572	"Franzolin E, Rampazzo C, Perez-Perez MJ, Hernandez AI, Balzarini J, Bianchi V: Bromovinyl-deoxyuridine: A selective substrate for mitochondrial thymidine kinase in cell extracts. Biochem Biophys Res Commun. 2006 May 26;344(1):30-6. doi: 10.1016/j.bbrc.2006.03.147."	Approved; Investigational	Pyrimidine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides"	"Deoxyuridine; Anti-Infective Agents; Antiviral Agents; Nucleosides; Deoxyribonucleosides; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; Antivirals for Systemic Use; Pyrimidines; Direct Acting Antivirals; Nucleic Acids, Nucleotides, and Nucleosides; Antiinfectives for Systemic Use; Pyrimidine Nucleosides"	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O						46505721					Brivudine	CHEMBL31634	59161
DB03314	5-fluorotryptophan	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Amino Acids; Amino Acids, Cyclic; Carbon Radioisotopes; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O						46508536						CHEMBL559973	
DB03316	"1,4-Dioxane"	BE0004452	EPN1	Q9Y6I3	EPN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,4-dioxanes"	"Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes"		C1COCCO1						46505597					"1,4-Dioxane"	CHEMBL453716	
DB03319	"(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O						46506972							
DB03323	Maltose	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Maltose, metabolism; Oligosaccharides; Carbohydrates; Polysaccharides; Food; Disaccharides; Food Additives; Food Ingredients; Glucans; Sweetening Agents; Compounds used in a research, industrial, or household setting"	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O		"Glycogen Synthetase Deficiency; Mucopolysaccharidosis VI. Sly Syndrome; Glycogenosis, Type VI. Hers Disease; Starch and Sucrose Metabolism; Glycogenosis, Type III. Cori Disease, Debrancher Glycogenosis; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Sucrase-Isomaltase Deficiency"	disease; metabolic			46508819	D00044				Maltose		1311261
DB03328	Dioxo(sulfanyl)molybdenum	BE0002204	XDH	P47989	XDH_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Transition metal oxides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal organides; Transition metal oxides		S[Mo](=O)=O						46508283							
DB03329	2-Pyridinethiol	BE0000939	CTSB	P07858	CATB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dihydropyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Sulfur Compounds	SC1=NC=CC=C1						46507759						CHEMBL1235541	
DB03331	"N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine"	BE0000720	GAPDHS	O14556	G3PT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"		[H]N(CC1=CC=CC2=CC=CC=C12)C1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N([H])C(=O)C3=CC(OC)=CC(OC)=C3)C2=NC=N1						46506163						CHEMBL303934	
DB03332	"5,6-Cyclic-Tetrahydropteridine"	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives		NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1						46505882							
DB03336	BIA	BE0002089	COMT	P21964	COMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F						46506639					BIA	CHEMBL387347	
DB03338	Heptyl glucoside	BE0001007	PPARD	Q03181	PPARD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46506841							2462498
DB03344	"Inositol-(1,3,4,5,6)-Pentakisphosphate"	BE0004433	CYTH3	O43739	CYH3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O						46505565							
DB03345	Mercaptoethanol	BE0004637	SCMH1	Q96GD3	SCMH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkylthiols	Organic compounds; Organosulfur compounds; Thiols; Alkylthiols	Alcohols; Sulfhydryl Compounds; Sulfur Compounds	OCCS						46506852					2-Mercaptoethanol	CHEMBL254951	
DB03349	8-Bromo-Adenosine-5'-Monophosphate	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506327						CHEMBL1230617	
DB03349	8-Bromo-Adenosine-5'-Monophosphate	BE0001473	HINT1	P49773	HINT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506327						CHEMBL1230617	
DB03351	Sri-9439	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives		CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12						46506145						CHEMBL151958	
DB03354	"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Glycosides; Carbohydrates; Glycogen Phosphorylase, antagonists & inhibitors; Oxazoles"	[H][C@]1(CO)O[C@@]([H])(C2=NN=C(C)O2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46506713						CHEMBL540929	
DB03366	Imidazole	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03366	Imidazole	BE0004477	AK2	P54819	KAD2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03366	Imidazole	BE0001680	LTA4H	P09960	LKHA4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03366	Imidazole	BE0002652	GPHN	Q9NQX3	GEPH_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03366	Imidazole	BE0004532	MYO1E	Q12965	MYO1E_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03367	PF-00356231	BE0001198	MMP12	P39900	MMP12_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		[H][C@](CC(O)=O)(NC(=O)C1=CC(=CS1)C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=CC=C1						46504539						CHEMBL508461	
DB03368	"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione"	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1						46505847						CHEMBL176467	
DB03370	FR239087	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O						46506851						CHEMBL328139	
DB03374	"3,5-Diiodotyrosine"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Antithyroid agents; Thyroid Products	[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O		Thyroid Hormone Synthesis	metabolic			46507686						CHEMBL1236469	
DB03374	"3,5-Diiodotyrosine"	BE0004373	IYD	Q6PHW0	IYD1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Antithyroid agents; Thyroid Products	[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O		Thyroid Hormone Synthesis	metabolic			46507686						CHEMBL1236469	
DB03376	5'-O-(N-(Alanyl)sulfamoyl)adenosine	BE0000188	EPRS	P07814	SYEP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Amino Acids; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Amino Acids, Peptides, and Proteins"	[H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]						46509106						CHEMBL1163065	
DB03380	L-tyrosinamide	BE0004370	BPHL	Q86WA6	BPHL_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	[H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O						46507172							
DB03381	Hexadecanal	BE0004476	DBI	P07108	ACBP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty aldehydes	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty aldehydes		CCCCCCCCCCCCCCCC=O		Krabbe Disease; Gaucher Disease; Sphingolipid Metabolism; Metachromatic Leukodystrophy (MLD); Fabry Disease; Globoid Cell Leukodystrophy	disease; metabolic			46505660						CHEMBL1235338	
DB03382	S-oxy-L-cysteine	BE0002148	PREP	P48147	PPCE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS=O)C(O)=O						46509121							
DB03382	S-oxy-L-cysteine	BE0002390	SOD1	P00441	SODC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS=O)C(O)=O						46509121							
DB03383	CP-320626	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Enzyme Inhibitors; Phosphorylase b, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	OC1CCN(CC1)C(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2						46508116						CHEMBL99889	
DB03384	Fica	BE0001826	CASP7	P55210	CASP7_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives		FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1						46506644					Federal_Insurance_Contributions_Act_tax		
DB03385	4-Methylimidazole	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CC1=CNC=N1						46508375					4-Methylimidazole	CHEMBL1230309	
DB03385	4-Methylimidazole	BE0003626	CA5A	P35218	CAH5A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CC1=CNC=N1						46508375					4-Methylimidazole	CHEMBL1230309	
DB03390	"(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid"	BE0001102	ACPP	P15309	PPAP_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives		[H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O						46506093							
DB03392	"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(NP(=O)(OC)OC)[C@]1([H])O						46504665						CHEMBL1233057	
DB03395	Enalkiren	BE0000270	REN	P00797	RENI_HUMAN	inhibitor	11752352; 1705633	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Glassman HN, Kleinert HD, Boger RS, Moyse DM, Griffiths AN, Luther RR: Clinical pharmacology of enalkiren, a novel, dipeptide renin inhibitor. J Cardiovasc Pharmacol. 1990;16 Suppl 4:S76-81."	Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Oligopeptides; Peptides; Amino Acids, Peptides, and Proteins; Renin Inhibitors"	COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1						46505948	D03738			DNC000604		CHEMBL300337	
DB03396	"(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide"	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C						46507692							
DB03397	Uridine-Diphosphate-N-Acetylglucosamine	BE0004629	EXTL2	Q9UBQ6	EXTL2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars"		CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O						46506870						CHEMBL388154	
DB03397	Uridine-Diphosphate-N-Acetylglucosamine	BE0004519	MGAT1	P26572	MGAT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars"		CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O						46506870						CHEMBL388154	
DB03399	Ethyl Isocyanide	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitriles	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides		CC[N+]#C						46504585							
DB03401	"1D-myo-inositol 1,4,5-trisphosphate"	BE0004452	EPN1	Q9Y6I3	EPN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate"	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O						46506346						CHEMBL279107	
DB03401	"1D-myo-inositol 1,4,5-trisphosphate"	BE0004516	RDX	P35241	RADI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate"	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O						46506346						CHEMBL279107	
DB03401	"1D-myo-inositol 1,4,5-trisphosphate"	BE0004593	SPTBN1	Q01082	SPTB2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate"	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O						46506346						CHEMBL279107	
DB03401	"1D-myo-inositol 1,4,5-trisphosphate"	BE0004522	ITPR1	Q14643	ITPR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate"	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O						46506346						CHEMBL279107	
DB03401	"1D-myo-inositol 1,4,5-trisphosphate"	BE0001627	ITPKA	P23677	IP3KA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Inositol Phosphates; Sugar Phosphates; Sugar Alcohols; Carbohydrates; Alcohols; Inositol 1,4,5-Trisphosphate"	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O						46506346						CHEMBL279107	
DB03403	Cytidine-5'-Monophosphate	BE0000637	CMPK1	P30085	KCY_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"	"Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Cytosine Nucleotides"	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O						46505057						CHEMBL307679	
DB03414	5-Thio-a/B-D-Mannopyranosylamine	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thianes	Organic compounds; Organoheterocyclic compounds; Thianes		[H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O						46506273							
DB03419	Uracil	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidinones; Pyrimidines; Fluorouracil and prodrugs	O=C1NC=CC(=O)N1		"Carnosinuria, Carnosinemia; beta-Alanine Metabolism; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); UMP Synthase Deficiency (Orotic Aciduria); Dihydropyrimidinase Deficiency; GABA-Transaminase Deficiency; Ureidopropionase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism"	disease; metabolic			46504697	D00027				Uracil	CHEMBL566	10995
DB03424	Ubenimex	BE0001680	LTA4H	P09960	LKHA4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Protease Inhibitors; Amino Acids; Anti-Infective Agents; Enzyme Inhibitors; Immunologic Factors; Aminopeptidases, antagonists & inhibitors; Amino Acids, Branched-Chain; Anti-Bacterial Agents; Adjuvants, Immunologic; Anti-HIV Agents; Antibiotics, Antineoplastic; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O						46505598					Ubenimex	CHEMBL29292	
DB03425	"2s,4r-4-Methylglutamate"	BE0000826	GRIK2	Q13002	GRIK2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Amino Acids, Dicarboxylic"	[H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O						46508238							
DB03435	Uridine-5'-Diphosphate	BE0001242	B3GAT1	Q9P2W7	B3GA1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyrimidine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"		O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O		"Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism"	drug_metabolism; disease; metabolic; drug_action			46505736						CHEMBL130266	
DB03435	Uridine-5'-Diphosphate	BE0004629	EXTL2	Q9UBQ6	EXTL2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"		O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O		"Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism"	drug_metabolism; disease; metabolic; drug_action			46505736						CHEMBL130266	
DB03435	Uridine-5'-Diphosphate	BE0000637	CMPK1	P30085	KCY_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"		O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O		"Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism"	drug_metabolism; disease; metabolic; drug_action			46505736						CHEMBL130266	
DB03435	Uridine-5'-Diphosphate	BE0001872	B3GAT3	O94766	B3GA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyrimidine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"		O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O		"Krabbe Disease; Acetaminophen Metabolism Pathway; Fabry Disease; Etoposide Action Pathway; Amino Sugar Metabolism; Codeine Action Pathway; Lamivudine Metabolism Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Hereditary Coproporphyria (HCP); Sphingolipid Metabolism; Salla Disease/Infantile Sialic Acid Storage Disease; Glycogenosis, Type IV. Amylopectinosis, Anderson Disease; Porphyrin Metabolism; G(M2)-Gangliosidosis: Variant B, Tay-Sachs Disease; Tamoxifen Action Pathway; Celecoxib Action Pathway; Gaucher Disease; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Valproic Acid Metabolism Pathway; Androgen and Estrogen Metabolism; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Glycogenosis, Type VI. Hers Disease; Aromatase Deficiency; Starch and Sucrose Metabolism; Sorafenib Metabolism Pathway; Galactose Metabolism"	drug_metabolism; disease; metabolic; drug_action			46505736						CHEMBL130266	
DB03439	"4,6-dideoxy-4-amino-alpha-D-glucose"	BE0001671	AMY1A	P04745	AMY1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N						46507710							
DB03439	"4,6-dideoxy-4-amino-alpha-D-glucose"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N						46507710							
DB03444	6-bromoindirubin-3'-oxime	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Heterocyclic Compounds, Fused-Ring; Amines; Hydroxylamines; Glycogen Synthase Kinase 3, antagonists & inhibitors"	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12						46507596						CHEMBL409450	
DB03449	N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines		[H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1						46507267						CHEMBL293212	
DB03451	Lexacalcitol	BE0000779	VDR	P11473	VDR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Immunosuppressive Agents; Sterols; Vitamins; Vitamins (Fat Soluble); Immunologic Factors; Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Antineoplastic Agents; Membrane Lipids; Secosteroids	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)OCCCC(O)(CC)CC						46505581						CHEMBL432600	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000747	AKR1B1	P15121	ALDR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000008	NNT	Q13423	NNTM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000329	HSD11B1	P28845	DHI1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000909	SPR	P35270	SPRE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000617	MTHFD1	P11586	C1TC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0002364	POR	P16435	NCPR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000604	ME1	P48163	MAOX_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0000589	MDH1	P40925	MDHC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0004352	AKR1A1	P14550	AK1A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0004480	FDXR	P22570	ADRO_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03461	Nicotinamide adenine dinucleotide phosphate	BE0003795	PTGR1	Q14914	PTGR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507953					Nicotinamide_adenine_dinucleotide_phosphate	CHEMBL295069	
DB03466	BMS184394	BE0000144	RARG	P13631	RARG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O						46506504						CHEMBL81273	
DB03467	Naringenin	BE0000123	ESR1	P03372	ESR1_HUMAN		10397250; 9751507	"Hunter DS, Hodges LC, Vonier PM, Fuchs-Young R, Gottardis MM, Walker CL: Estrogen receptor activation via activation function 2 predicts agonism of xenoestrogens in normal and neoplastic cells of the uterine myometrium. Cancer Res. 1999 Jul 1;59(13):3090-9.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63."	Experimental	Flavanones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1						46508043		PA151958361			Naringenin	CHEMBL9352	1368173
DB03467	Naringenin	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		21053930	"Shimada T, Tanaka K, Takenaka S, Murayama N, Martin MV, Foroozesh MK, Yamazaki H, Guengerich FP, Komori M: Structure-function relationships of inhibition of human cytochromes P450 1A1, 1A2, 1B1, 2C9, and 3A4 by 33 flavonoid derivatives. Chem Res Toxicol. 2010 Dec 20;23(12):1921-35. doi: 10.1021/tx100286d."	Experimental	Flavanones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1						46508043		PA151958361			Naringenin	CHEMBL9352	1368173
DB03467	Naringenin	BE0009091	KANSL3	Q9P2N6	KANL3_HUMAN		24412302	"Priscilla DH, Roy D, Suresh A, Kumar V, Thirumurugan K: Naringenin inhibits alpha-glucosidase activity: a promising strategy for the regulation of postprandial hyperglycemia in high fat diet fed streptozotocin induced diabetic rats. Chem Biol Interact. 2014 Mar 5;210:77-85. doi: 10.1016/j.cbi.2013.12.014. Epub 2014 Jan 8."	Experimental	Flavanones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1						46508043		PA151958361			Naringenin	CHEMBL9352	1368173
DB03467	Naringenin	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	9435150	"Kao YC, Zhou C, Sherman M, Laughton CA, Chen S: Molecular basis of the inhibition of human aromatase (estrogen synthetase) by flavone and isoflavone phytoestrogens: A site-directed mutagenesis study. Environ Health Perspect. 1998 Feb;106(2):85-92."	Experimental	Flavanones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1						46508043		PA151958361			Naringenin	CHEMBL9352	1368173
DB03467	Naringenin	BE0000792	ESR2	Q92731	ESR2_HUMAN	partial agonist	9751507	"Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63."	Experimental	Flavanones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Anti-Ulcer Agents; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; BCRP/ABCG2 Inhibitors; Pyrans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Hormone Antagonists; Estrogen Antagonists; Gastrointestinal Agents; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1						46508043		PA151958361			Naringenin	CHEMBL9352	1368173
DB03468	"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide"	BE0000865	PNMT	P11086	PNMT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		NS(=O)(=O)C1=CC2=C(CCNC2)C=C1						46504873						CHEMBL26717	
DB03471	6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([C@@H](CCC(O)=O)CCC1=CC=CC=C1)C(=O)CCCCCCC1=CC=CC=C1						46508085							
DB03479	"8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O						46505966						CHEMBL593791	
DB03483	(4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CCC(O)=O)N([H])C(=O)C1=CC=CC=C1						46508067							
DB03486	Phosphomethylphosphonic acid guanosyl ester	BE0001746	CANT1	Q8WVQ1	CANT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46505802						CHEMBL1164951	
DB03495	"4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O						46507794						CHEMBL1233515	
DB03496	Alvocidib	BE0002150	PYGB	P11216	PYGB_HUMAN		11368340	"Kaiser A, Nishi K, Gorin FA, Walsh DA, Bradbury EM, Schnier JB: The cyclin-dependent kinase (CDK) inhibitor flavopiridol inhibits glycogen phosphorylase. Arch Biochem Biophys. 2001 Feb 15;386(2):179-87."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03496	Alvocidib	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03496	Alvocidib	BE0002212	CDK6	Q00534	CDK6_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03496	Alvocidib	BE0000767	EGFR	P00533	EGFR_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03496	Alvocidib	BE0002216	CDK4	P11802	CDK4_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03496	Alvocidib	BE0002224	CDK8	P49336	CDK8_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03499	D-Malic acid	BE0000148	ME2	P23368	MAOM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Beta hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives		O[C@H](CC(O)=O)C(O)=O						46504723						CHEMBL225986	
DB03501	Galactose-uridine-5'-diphosphate	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		12051854; 10592235	"Ramakrishnan B, Balaji PV, Qasba PK: Crystal structure of beta1,4-galactosyltransferase complex with UDP-Gal reveals an oligosaccharide acceptor binding site. J Mol Biol. 2002 Apr 26;318(2):491-502.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars"	"Pyrimidine Nucleotides; Uridine Diphosphate Sugars; Nucleoside Diphosphate Sugars; Glycosides; Ribonucleotides; Carbohydrates; Pyrimidines; Uridine Diphosphate; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides"	OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O						46507114						CHEMBL439009	
DB03504	"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12						46508678						CHEMBL112896	
DB03507	"6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One"	BE0001139	TNFRSF1A	P19438	TNR1A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		[O-][N+](=O)C1=CC(=CC=C1)C1=CC2=C(S1)C=C1N2C(=S)N(CCCN2CCOCC2)C1=O						46507367							
DB03509	2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide	BE0001717	PARP1	P09874	PARP1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinoxalines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Antineoplastic Agents"	NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1						46505127							
DB03516	Eniluracil	BE0003539	AOX1	Q06278	AOXA_HUMAN		8161345	"Porter DJ, Harrington JA, Almond MR, Lowen GT, Zimmerman TP, Spector T: 5-ethynyl-2(1H)-pyrimidinone: aldehyde oxidase-activation to 5-ethynyluracil, a mechanism-based inactivator of dihydropyrimidine dehydrogenase. Biochem Pharmacol. 1994 Mar 29;47(7):1165-71."	Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Enzyme Inhibitors; Pyrimidines; Pyrimidinones	O=C1NC=C(C#C)C(=O)N1						175426856	D03998					CHEMBL355200	
DB03516	Eniluracil	BE0002204	XDH	P47989	XDH_HUMAN	inhibitor	7961725	Porter DJ: Reaction of 5-ethynyluracil with rat liver xanthine oxidase. J Biol Chem. 1994 Nov 11;269(45):27932-40.	Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Enzyme Inhibitors; Pyrimidines; Pyrimidinones	O=C1NC=C(C#C)C(=O)N1						175426856	D03998					CHEMBL355200	
DB03516	Eniluracil	BE0000960	DPYD	Q12882	DPYD_HUMAN		16466986	"Czito BG, Hong TJ, Cohen DP, Petros WP, Tyler DS, Pappas TN, Yu D, Lee CG, Lockhart AC, Morse MA, Fernando N, Hurwitz HI: A phase I study of eniluracil/5-FU in combination with radiation therapy for potentially resectable and/or unresectable cancer of the pancreas and distal biliary tract. Cancer Invest. 2006 Feb;24(1):9-17."	Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Enzyme Inhibitors; Pyrimidines; Pyrimidinones	O=C1NC=C(C#C)C(=O)N1						175426856	D03998					CHEMBL355200	
DB03531	Flavin-adenine dinucleotide-N5-isobutyl ketone	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2						46508848							
DB03535	Z-Pro-Prolinal	BE0002148	PREP	P48147	PPCE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O						46507956						CHEMBL79993	
DB03542	L-Myo-Inositol-1-Phosphate	BE0001152	IMPA1	P29218	IMPA1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Inositol phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		[H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O						46507945							
DB03554	5-Iodouracil	BE0000960	DPYD	Q12882	DPYD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Pyrimidines; Pyrimidinones	IC1=CNC(=O)NC1=O						46507512						CHEMBL1173	
DB03557	4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)C(CC(O)=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O						46505110							
DB03559	Cyclohexylformamide	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Secondary carboxylic acid amides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Formates; Acids, Acyclic; Amides; Alcohol Dehydrogenase, antagonists & inhibitors"	[H]C(=O)NC1CCCCC1						46505617						CHEMBL46778	
DB03566	Spermidine	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	OCT1 substrates; Amines; Biogenic Amines; Polyamines; Biogenic Polyamines	NCCCCNCCCN		"Methionine Metabolism; S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Methionine Adenosyltransferase Deficiency; Cystathionine beta-Synthase Deficiency; Glycine N-Methyltransferase Deficiency; Spermidine and Spermine Biosynthesis; Methylenetetrahydrofolate Reductase Deficiency (MTHFRD); Homocystinuria-Megaloblastic Anemia Due to Defect in Cobalamin Metabolism, cblG Complementation Type; Hypermethioninemia"	disease; metabolic			46506086					Spermidine	CHEMBL19612	1483262
DB03568	Butyric Acid	BE0002180	BCHE	P06276	CHLE_HUMAN				Experimental; Investigational	Straight chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Volatile; Lipids; Neurotransmitter Agents; Acids, Acyclic; Fatty Acids; Histamine Agents; Butyrates"	CCCC(O)=O		Butyrate Metabolism; Fatty Acid Biosynthesis	metabolic			46505927					Butyric_acid	CHEMBL14227	1362696
DB03572	FR230513	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		[H][C@](CO)(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O						46508986							
DB03575	Phencyclidine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	antagonist	17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Illicit	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Inhibitors; Piperidines; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Excitatory Amino Acid Antagonists; Hallucinogens; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Phencyclidine, antagonists & inhibitors; NMDA Receptor Antagonists"	C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1						46508889		PA128406980			Phencyclidine	CHEMBL275528	
DB03577	Alpha-Benzyl-Aminobenzyl-Phosphonic Acid	BE0001102	ACPP	P15309	PPAP_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		[H][C@](NCC1=CC=CC=C1)(C1=CC=CC=C1)P(O)(O)=O						46508262						CHEMBL1186230	
DB03581	Glucose-6-Phosphate	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental			Sugar Phosphates; Hexosephosphates; Carbohydrates; Glucosephosphates	[H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46508559					Glucose_6-phosphate		1541246
DB03588	Diphenylacetic acid	BE0000939	CTSB	P07858	CATB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Phenylacetates; Acids, Carbocyclic"	OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1						46507444						CHEMBL1232181	
DB03589	Mesoxalic acid	BE0000148	ME2	P23368	MAOM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Acids, Acyclic; Dicarboxylic Acids"	OC(=O)C(=O)C(O)=O						46504627					Mesoxalic_acid		
DB03597	gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine	BE0000182	PDE5A	O76074	PDE5A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O						46508001							
DB03597	gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine	BE0003134	PDE9A	O76083	PDE9A_HUMAN				Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O						46508001							
DB03600	Capric acid	BE0002397	FURIN	P09958	FURIN_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Anti-Infective Agents; Antifungal Agents; Lipids; Fatty Acids	CCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			46509055					Decanoic_acid	CHEMBL107498	22380
DB03600	Capric acid	BE0000215	PPARG	P37231	PPARG_HUMAN	ligand	24998974	"Zhang L, Ren XM, Wan B, Guo LH: Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma. Toxicol Appl Pharmacol. 2014 Sep 15;279(3):275-83. doi: 10.1016/j.taap.2014.06.020. Epub 2014 Jul 3."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Anti-Infective Agents; Antifungal Agents; Lipids; Fatty Acids	CCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			46509055					Decanoic_acid	CHEMBL107498	22380
DB03604	Tiratricol	BE0000315	THRB	P10828	THB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Amino Acids; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Amino Acids, Cyclic; Thyroid Products; Agents used to treat hypothyroidism; Thyronines; Hormones; Dermatologicals; NTCP Inhibitors; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1						46504696					Tiratricol	CHEMBL41632	13982
DB03606	(S)-Rolipram	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 10592235; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines		[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1						46507984		PA153906323		DNC000017		CHEMBL325795	
DB03606	(S)-Rolipram	BE0001287	PDE4D	Q08499	PDE4D_HUMAN				Experimental	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines		[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1						46507984		PA153906323		DNC000017		CHEMBL325795	
DB03612	3-Hydroxybutyryl-Coenzyme A	BE0000377	HADH	Q16836	HCDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	3-hydroxyacyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Thioesters of coenzyme A"	CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						46509071							
DB03614	Mecobalamin	BE0000734	MTR	Q99707	METH_HUMAN	cofactor	18491996	"Zhang YF, Ning G: Mecobalamin. Expert Opin Investig Drugs. 2008 Jun;17(6):953-64. doi: 10.1517/13543784.17.6.953."	Approved; Investigational	Cobalamin derivatives	Organic compounds; Organoheterocyclic compounds; Tetrapyrroles and derivatives; Corrinoids	"Vitamins; Heterocyclic Compounds, Fused-Ring; Corrinoids; Antianemic Preparations; Vitamin B Complex; Blood and Blood Forming Organs; Vitamin B12 and Folic Acid"	C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O					781	46506610	D03246				Methylcobalamin	CHEMBL2448537	29421
DB03615	Ribostamycin	BE0002467	P4HB	P07237	PDIA1_HUMAN		11741285	"Horibe T, Nagai H, Sakakibara K, Hagiwara Y, Kikuchi M: Ribostamycin inhibits the chaperone activity of protein disulfide isomerase. Biochem Biophys Res Commun. 2001 Dec 21;289(5):967-72."	Approved; Experimental	"4,5-disubstituted 2-deoxystreptamines"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Anti-Infective Agents; Agents that produce neuromuscular block (indirect); Glycosides; Carbohydrates; Anti-Bacterial Agents; Antibacterials for Systemic Use; Nephrotoxic agents; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Aminoglycoside Antibacterials; Antiinfectives for Systemic Use	[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O						46505351	D08478			DNC001211	Ribostamycin	CHEMBL221572	
DB03619	Deoxycholic acid	BE0004053	EFTUD1	Q7Z2Z2	ETUD1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Decreased Cell Membrane Integrity; Fused-Ring Compounds; BSEP/ABCB11 inducers; Bile Acids and Salts; Cholic Acids; Cholanes; Cholagogues and Choleretics; Cytolytic Agent; Dermatologicals; Other Miscellaneous Therapeutic Agents; Steroids; Gastrointestinal Agents	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C					6906	46506360					Deoxycholic_acid	CHEMBL406393	3194
DB03619	Deoxycholic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN		13130122	"Fujino T, Une M, Imanaka T, Inoue K, Nishimaki-Mogami T: Structure-activity relationship of bile acids and bile acid analogs in regard to FXR activation. J Lipid Res. 2004 Jan;45(1):132-8. Epub 2003 Sep 16."	Approved	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Decreased Cell Membrane Integrity; Fused-Ring Compounds; BSEP/ABCB11 inducers; Bile Acids and Salts; Cholic Acids; Cholanes; Cholagogues and Choleretics; Cytolytic Agent; Dermatologicals; Other Miscellaneous Therapeutic Agents; Steroids; Gastrointestinal Agents	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C					6906	46506360					Deoxycholic_acid	CHEMBL406393	3194
DB03623	"9-(4-Hydroxyphenyl)-2,7-Phenanthroline"	BE0001097	MAPK10	P53779	MK10_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines		OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1						46507868						CHEMBL248643	
DB03633	Lpc-Ether	BE0001432	GM2A	P17900	SAP3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Monoalkylglycerophosphocholines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines		CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C						46506445							
DB03637	Guanidine-3-propanol	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines		[H]N([H])C(N([H])[H])=[N+]([H])CCCO						46507636							
DB03645	Phosphonoacetohydroxamic Acid	BE0004460	ENO3	P13929	ENOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic phosphonic acids	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids		ONC(=O)CP(O)(O)=O						46507225						CHEMBL328944	
DB03657	1-deoxy-1-methoxycarbamido-beta-D-glucopyranose	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46508139						CHEMBL134529	
DB03661	L-cysteic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	N[C@@H](CS(O)(=O)=O)C(O)=O						46508940							
DB03661	L-cysteic acid	BE0001705	CDC25B	P30305	MPIP2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	N[C@@H](CS(O)(=O)=O)C(O)=O						46508940							
DB03661	L-cysteic acid	BE0002135	CTSL	P07711	CATL1_HUMAN				Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	N[C@@H](CS(O)(=O)=O)C(O)=O						46508940							
DB03664	P1-(adenosine-5'-P5-(uridine-5')pentaphosphate	BE0000637	CMPK1	P30085	KCY_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"		[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=CC(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1						46504722							
DB03670	"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1						46504628						CHEMBL139393	
DB03672	9-N-Phenylmethylamino-Tacrine	BE0002180	BCHE	P06276	CHLE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines		C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1						46508414						CHEMBL215344	
DB03677	N-Cyclohexyl-N'-Decylurea	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ureas	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas		CCCCCCCCCCNC(=O)NC1CCCCC1						46505021						CHEMBL67158	
DB03680	Tartronate	BE0000148	ME2	P23368	MAOM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Sugar acids and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC(C([O-])=O)C([O-])=O						46506347							
DB03680	Tartronate	BE0000328	ME3	Q16798	MAON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sugar acids and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC(C([O-])=O)C([O-])=O						46506347							
DB03685	Uridine monophosphate	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides"	"Pyrimidine Nucleotides; Ribonucleotides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Uracil Nucleotides"	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O		Clomocycline Action Pathway; Rolitetracycline Action Pathway; Dihydropyrimidinase Deficiency; Lactose Synthesis; Demeclocycline Action Pathway; Josamycin Action Pathway; Gentamicin Action Pathway; Kanamycin Action Pathway; Tobramycin Action Pathway; MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Azithromycin Action Pathway; Clarithromycin Action Pathway; beta-Ureidopropionase Deficiency; UMP Synthase Deficiency (Orotic Aciduria); Troleandomycin Action Pathway; Amikacin Action Pathway; Streptomycin Action Pathway; Pyrimidine Metabolism; Congenital Disorder of Glycosylation CDG-IId; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Netilmicin Action Pathway; Doxycycline Action Pathway; Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Arbekacin Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46506409					Uridine_monophosphate	CHEMBL214393	
DB03693	N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide	BE0003334	CSNK1G2	P78368	KC1G2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring"	NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2						46505981						CHEMBL489157	
DB03695	Piritrexim	BE0000330	DHFR	P00374	DYR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"	Enzyme Inhibitors; Folic Acid Antagonists; Antineoplastic Agents	COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1						46506046						CHEMBL7492	
DB03701	Vanoxerine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	antagonist	11249581; 18845198	"Preti A: Vanoxerine National Institute on Drug Abuse. Curr Opin Investig Drugs. 2000 Oct;1(2):241-51.@@Stepanov V, Jarv J: Kinetic mechanism of dopamine transporter interaction with 1-(2-(bis-(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine (GBR 12909). Neurochem Int. 2008 Dec;53(6-8):370-3. doi: 10.1016/j.neuint.2008.09.005. Epub 2008 Sep 18."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Antiarrhythmic agents; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agents; Membrane Transport Modulators	FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1						46504818				DCL001032	Vanoxerine	CHEMBL281594	
DB03701	Vanoxerine	BE0009629	KCNH2	Q9NS40	KCNH7_HUMAN	blocker	19817928	"Lacerda AE, Kuryshev YA, Yan GX, Waldo AL, Brown AM: Vanoxerine: cellular mechanism of a new antiarrhythmic. J Cardiovasc Electrophysiol. 2010 Mar;21(3):301-10. doi: 10.1111/j.1540-8167.2009.01623.x. Epub 2009 Oct 8."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Antiarrhythmic agents; Dopamine Uptake Inhibitors; Cytochrome P-450 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agents; Membrane Transport Modulators	FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1						46504818				DCL001032	Vanoxerine	CHEMBL281594	
DB03707	S-Ethyl-N-Phenyl-Isothiourea	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		CCS\C(N)=N\C1=CC=CC=C1						46506739						CHEMBL451666	
DB03707	S-Ethyl-N-Phenyl-Isothiourea	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		CCS\C(N)=N\C1=CC=CC=C1						46506739						CHEMBL451666	
DB03708	Adenosine 5'-phosphosulfate	BE0003094	PAPSS1	O43252	PAPS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O						46507829						CHEMBL572546	
DB03709	Bicine	BE0000211	PLG	P00747	PLMN_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins"	OCCN(CCO)CC(O)=O						46505980					Bicine		
DB03710	[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O						46504611							
DB03714	4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O						46509105							
DB03721	N-acetyl-alpha-neuraminic acid	BE0001159	SELP	P16109	LYAM3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acylneuraminic acids	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO						46505298					Neuraminic_acid	CHEMBL1234621	
DB03721	N-acetyl-alpha-neuraminic acid	BE0001074	SELE	P16581	LYAM2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acylneuraminic acids	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO						46505298					Neuraminic_acid	CHEMBL1234621	
DB03721	N-acetyl-alpha-neuraminic acid	BE0000912	REG1A	P05451	REG1A_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acylneuraminic acids	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO						46505298					Neuraminic_acid	CHEMBL1234621	
DB03722	"3,4-Dihydro-5-Methyl-Isoquinolinone"	BE0001717	PARP1	P09874	PARP1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives		CC1=CC=CC2=C1CCNC2=O						46507396						CHEMBL125200	
DB03731	S-2-(Boronoethyl)-L-Cysteine	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O						46504906							
DB03731	S-2-(Boronoethyl)-L-Cysteine	BE0000758	ARG2	P78540	ARGI2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O						46504906							
DB03736	2-Cyclopropylmethylenepropanal	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic oxides	Organic compounds; Organic oxygen compounds; Organic oxides		[H][C@](C)(CC1CC1)C=O						46508047							
DB03738	Pantothenoylaminoethenethiol	BE0003043	PPCDC	Q96CD2	COAC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO						46508070							
DB03740	N-acetyl-alpha-D-glucosamine	BE0000221	ACE	P12821	ACE_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acyl-alpha-hexosamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O						46508699						CHEMBL1234669	2280292
DB03740	N-acetyl-alpha-D-glucosamine	BE0001648	SIGLEC7	Q9Y286	SIGL7_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-acyl-alpha-hexosamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O						46508699						CHEMBL1234669	2280292
DB03742	Compound 4-D	BE0000123	ESR1	P03372	ESR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1						46506967						CHEMBL304552	
DB03749	"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1						46505796						CHEMBL360563	
DB03754	Tromethamine	BE0003392	APP	P05067	A4_HUMAN	inhibitor	8380642	"Arispe N, Rojas E, Pollard HB: Alzheimer disease amyloid beta protein forms calcium channels in bilayer membranes: blockade by tromethamine and aluminum. Proc Natl Acad Sci U S A. 1993 Jan 15;90(2):567-71. doi: 10.1073/pnas.90.2.567."	Approved	"1,2-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Blood Substitutes and Perfusion Solutions; Propylene Glycols; Buffers; Pharmaceutical Preparations; I.V. Solution Additives; Pharmaceutic Aids; Glycols; Blood and Blood Forming Organs; Solutions Affecting the Electrolyte Balance; Alcohols; Pharmaceutical Vehicles; Excipients; i.v. Solutions; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	NC(CO)(CO)CO					13337	46506027	D00396				Tris	CHEMBL1200391	10865
DB03756	Doconexent	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	24986106; 19585164; 27079734	"Liu M, Montgomery MK, Fiveash CE, Osborne B, Cooney GJ, Bell-Anderson K, Turner N: PPARalpha-independent actions of omega-3 PUFAs contribute to their beneficial effects on adiposity and glucose homeostasis. Sci Rep. 2014 Jul 2;4:5538. doi: 10.1038/srep05538.@@Rudkowska I, Garenc C, Couture P, Vohl MC: Omega-3 fatty acids regulate gene expression levels differently in subjects carrying the PPARalpha L162V polymorphism. Genes Nutr. 2009 Sep;4(3):199-205. doi: 10.1007/s12263-009-0129-2. Epub 2009 Jul  8.@@Ji HG, Piao JY, Kim SJ, Kim DH, Lee HN, Na HK, Surh YJ: Docosahexaenoic acid inhibits Helicobacter pylori-induced STAT3 phosphorylation through activation of PPARgamma. Mol Nutr Food Res. 2016 Jun;60(6):1448-57. doi: 10.1002/mnfr.201600009. Epub 2016 May 9."	Approved; Investigational	Very long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O					1796	46506213					Docosahexaenoic_acid	CHEMBL367149	1006469
DB03756	Doconexent	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	21382489; 18769551; 27079734; 15698426	"Varga T, Czimmerer Z, Nagy L: PPARs are a unique set of fatty acid regulated transcription factors controlling both lipid metabolism and inflammation. Biochim Biophys Acta. 2011 Aug;1812(8):1007-22. doi: 10.1016/j.bbadis.2011.02.014. Epub 2011 Mar 5.@@Edwards IJ, O'Flaherty JT: Omega-3 Fatty Acids and PPARgamma in Cancer. PPAR Res. 2008;2008:358052. doi: 10.1155/2008/358052.@@Ji HG, Piao JY, Kim SJ, Kim DH, Lee HN, Na HK, Surh YJ: Docosahexaenoic acid inhibits Helicobacter pylori-induced STAT3 phosphorylation through activation of PPARgamma. Mol Nutr Food Res. 2016 Jun;60(6):1448-57. doi: 10.1002/mnfr.201600009. Epub 2016 May 9.@@Li H, Ruan XZ, Powis SH, Fernando R, Mon WY, Wheeler DC, Moorhead JF, Varghese Z: EPA and DHA reduce LPS-induced inflammation responses in HK-2 cells: evidence for a PPAR-gamma-dependent mechanism. Kidney Int. 2005 Mar;67(3):867-74."	Approved; Investigational	Very long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O					1796	46506213					Docosahexaenoic_acid	CHEMBL367149	1006469
DB03756	Doconexent	BE0000412	RXRA	P19793	RXRA_HUMAN	activator	23723389; 11118147	"German OL, Monaco S, Agnolazza DL, Rotstein NP, Politi LE: Retinoid X receptor activation is essential for docosahexaenoic acid protection of retina photoreceptors. J Lipid Res. 2013 Aug;54(8):2236-46. doi: 10.1194/jlr.M039040. Epub 2013 May 30.@@de Urquiza AM, Liu S, Sjoberg M, Zetterstrom RH, Griffiths W, Sjovall J, Perlmann T: Docosahexaenoic acid, a ligand for the retinoid X receptor in mouse brain. Science. 2000 Dec 15;290(5499):2140-4."	Approved; Investigational	Very long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O					1796	46506213					Docosahexaenoic_acid	CHEMBL367149	1006469
DB03756	Doconexent	BE0004689	MYC	P01106	MYC_HUMAN	inhibitor	27079734	"Ji HG, Piao JY, Kim SJ, Kim DH, Lee HN, Na HK, Surh YJ: Docosahexaenoic acid inhibits Helicobacter pylori-induced STAT3 phosphorylation through activation of PPARgamma. Mol Nutr Food Res. 2016 Jun;60(6):1448-57. doi: 10.1002/mnfr.201600009. Epub 2016 May 9."	Approved; Investigational	Very long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fish Oils; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oils; Lipids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Fatty Acids, Unsaturated; Cytochrome P-450 CYP2C9 Inhibitors; Fats; Dietary Fats"	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O					1796	46506213					Docosahexaenoic_acid	CHEMBL367149	1006469
DB03758	Radicicol	BE0004330	PDK3	Q15120	PDK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroxybenzoic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Antiprotozoals; Polyketides; Tyrosine Kinase Inhibitors; Antiparasitic Agents	C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1						46504837				DNC001195	Radicicol	CHEMBL414883	
DB03759	FG-9041	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinoxalines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Excitatory Amino Acid Agents; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents"	[O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O						46505600						CHEMBL155265	
DB03760	Dihydrolipoic Acid	BE0002302	GCSH	P23434	GCSH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Antioxidants; Biological Factors; Coenzymes; Enzymes and Coenzymes; Lipids; Protective Agents; Thiophenes; Sulfur Compounds; Fatty Acids; Compounds used in a research, industrial, or household setting"	[H][C@](S)(CCS)CCCCC(O)=O						46508127						CHEMBL1235647	
DB03760	Dihydrolipoic Acid	BE0004330	PDK3	Q15120	PDK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Antioxidants; Biological Factors; Coenzymes; Enzymes and Coenzymes; Lipids; Protective Agents; Thiophenes; Sulfur Compounds; Fatty Acids; Compounds used in a research, industrial, or household setting"	[H][C@](S)(CCS)CCCCC(O)=O						46508127						CHEMBL1235647	
DB03766	Propanoic acid	BE0002652	GPHN	Q9NQX3	GEPH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Vet_approved	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Fatty Acids, Volatile; Anti-Infective Agents; Ophthalmologicals; Lipids; Acids, Acyclic; Fatty Acids; Sensory Organs"	CCC(O)=O		Vitamin K Metabolism; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Propanoate Metabolism; Malonic Aciduria; Malonyl-CoA Decarboxylase Deficiency	disease; metabolic		8742	46508742	D02310				Propionic_acid	CHEMBL14021	34658
DB03767	Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide	BE0001646	CTSS	P25774	CATS_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N						46508762						CHEMBL153813	
DB03773	alpha-D-quinovopyranose	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Deoxy Sugars; Carbohydrates	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						46506823							
DB03777	Bisindolylmaleimide I	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Anti-Inflammatory Agents; Maleates; Acids, Acyclic; Imides"	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2						46507495					BIM-1	CHEMBL7463	
DB03777	Bisindolylmaleimide I	BE0003889	PRKCI	P41743	KPCI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Protein Kinase C, antagonists & inhibitors; Dicarboxylic Acids; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Anti-Inflammatory Agents; Maleates; Acids, Acyclic; Imides"	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2						46507495					BIM-1	CHEMBL7463	
DB03781	"2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid"	BE0000702	ACACB	O00763	ACACB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryloxyphenoxypropionic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids		[H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O						46509141							
DB03784	Elaidamide	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty amides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides		CCCCCCCC\C=C\CCCCCCCC(N)=O						46508720						CHEMBL86554	
DB03788	GC-24	BE0000315	THRB	P10828	THB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Linear diarylheptanoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids		CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1						46504743							
DB03793	Benzoic acid	BE0001018	SLC15A1	P46059	S15A1_HUMAN		21147219	"Omkvist DH, Trangbaek DJ, Mildon J, Paine JS, Brodin B, Begtrup M, Nielsen CU: Affinity and translocation relationships via hPEPT1 of H-X aa-Ser-OH dipeptides: evaluation of H-Phe-Ser-OH as a pro-moiety for ibuprofen and benzoic acid prodrugs. Eur J Pharm Biopharm. 2011 Feb;77(2):327-31. doi: 10.1016/j.ejpb.2010.12.009. Epub 2010 Dec 13."	Approved; Investigational	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Nitrogen Binding Agent; Food Ingredients; Benzene Derivatives; Antifungal Agents; Benzoates; Tests for Gastric Secretion; Alimentary Tract and Metabolism; Diagnostic Agents; Diet, Food, and Nutrition; Acids, Carbocyclic; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Various Alimentary Tract and Metabolism Products; Compounds used in a research, industrial, or household setting; Anti-Infective Agents; Physiological Phenomena; OAT3/SLC22A8 Inhibitors; Food Preservatives; Ammonium Ion Binding Activity; Food Additives; Urea Cycle Disorder Agents"	OC(=O)C1=CC=CC=C1					7023	46504911	D00038	PA448578			Benzoic_acid	CHEMBL541	18989
DB03793	Benzoic acid	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Nitrogen Binding Agent; Food Ingredients; Benzene Derivatives; Antifungal Agents; Benzoates; Tests for Gastric Secretion; Alimentary Tract and Metabolism; Diagnostic Agents; Diet, Food, and Nutrition; Acids, Carbocyclic; Food; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Various Alimentary Tract and Metabolism Products; Compounds used in a research, industrial, or household setting; Anti-Infective Agents; Physiological Phenomena; OAT3/SLC22A8 Inhibitors; Food Preservatives; Ammonium Ion Binding Activity; Food Additives; Urea Cycle Disorder Agents"	OC(=O)C1=CC=CC=C1					7023	46504911	D00038	PA448578			Benzoic_acid	CHEMBL541	18989
DB03796	Palmitic Acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13."	Approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids	CCCCCCCCCCCCCCCC(O)=O		"Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway"	disease; metabolic; drug_action		9817	46506400	D05341				Palmitic_acid	CHEMBL82293	1370621
DB03796	Palmitic Acid	BE0003179	HNF4G	Q14541	HNF4G_HUMAN				Approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids	CCCCCCCCCCCCCCCC(O)=O		"Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway"	disease; metabolic; drug_action		9817	46506400	D05341				Palmitic_acid	CHEMBL82293	1370621
DB03796	Palmitic Acid	BE0003181	TRAPPC3	O43617	TPPC3_HUMAN				Approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Palmitic Acids; Enzyme Inhibitors; Lipids; Fatty Acids	CCCCCCCCCCCCCCCC(O)=O		"Cerivastatin Action Pathway; Medium Chain Acyl-CoA Dehydrogenase Deficiency (MCAD); Ethylmalonic Encephalopathy; Familial Hypercholanemia (FHCA); Desmosterolosis; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Congenital Bile Acid Synthesis Defect Type III; Glycerolipid Metabolism; Ibandronate Action Pathway; Cerebrotendinous Xanthomatosis (CTX); Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Carnitine Palmitoyl Transferase Deficiency II; Hyper-IgD Syndrome; Zellweger Syndrome; Long-Chain-3-Hydroxyacyl-CoA Dehydrogenase Deficiency (LCHAD); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Glutaric Aciduria Type I; Alendronate Action Pathway; CHILD Syndrome; D-Glyceric Acidura; Lovastatin Action Pathway; Wolman Disease; Bile Acid Biosynthesis; Long Chain Acyl-CoA Dehydrogenase Deficiency (LCAD); Glycerol Kinase Deficiency; Atorvastatin Action Pathway"	disease; metabolic; drug_action		9817	46506400	D05341				Palmitic_acid	CHEMBL82293	1370621
DB03802	"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol"	BE0000123	ESR1	P03372	ESR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	1-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines		[H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1						46507283							
DB03807	"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1						46507330						CHEMBL519827	
DB03809	9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12						46506776						CHEMBL109612	
DB03814	2-(N-morpholino)ethanesulfonic acid	BE0000329	HSD11B1	P28845	DHI1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CCN1CCOCC1						46507795					MES_(buffer)	CHEMBL1234276	
DB03814	2-(N-morpholino)ethanesulfonic acid	BE0000259	B4GALT1	P15291	B4GT1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CCN1CCOCC1						46507795					MES_(buffer)	CHEMBL1234276	
DB03814	2-(N-morpholino)ethanesulfonic acid	BE0003191	L3MBTL1	Q9Y468	LMBL1_HUMAN				Experimental	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CCN1CCOCC1						46507795					MES_(buffer)	CHEMBL1234276	
DB03814	2-(N-morpholino)ethanesulfonic acid	BE0002180	BCHE	P06276	CHLE_HUMAN				Experimental	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Hydrocarbons, Acyclic; Buffers; Oxazines; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	OS(=O)(=O)CCN1CCOCC1						46507795					MES_(buffer)	CHEMBL1234276	
DB03822	Ethyl dihydrogen phosphate	BE0002180	BCHE	P06276	CHLE_HUMAN				Experimental	Monoalkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	"Anions; Electrolytes; Ions; Phosphorus Compounds; Organophosphorus Compounds; Phosphoric Acids; Acids; Phosphorus Acids; Acids, Noncarboxylic"	CCOP(O)(O)=O						46508637							
DB03824	"7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline"	BE0000865	PNMT	P11086	PNMT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		IC1=CC2=C(CCNC2)C=C1						46506111						CHEMBL26828	
DB03832	"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium"	BE0000373	CROT	Q9UKG9	OCTC_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acyl carnitines	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters		[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC						46507542						CHEMBL1234930	
DB03835	"N-[(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O						46506964						CHEMBL593335	
DB03837	Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide	BE0001646	CTSS	P25774	CATS_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1						46506153						CHEMBL222649	
DB03841	Niraxostat	BE0002204	XDH	P47989	XDH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC(C)(C)COC1=C(C=C(C=C1)N1C=C(C=N1)C(O)=O)C#N						46506546						CHEMBL169526	
DB03849	Cilomilast	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	inhibitor	10592235; 17155857	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Kroegel C, Foerster M: Phosphodiesterase-4 inhibitors as a novel approach for the treatment of respiratory disease: cilomilast. Expert Opin Investig Drugs. 2007 Jan;16(1):109-24."	Investigational	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Phosphodiesterase 4 Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Cyclohexanes; Phosphodiesterase Inhibitors"	COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N						46505062	D01704				Cilomilast	CHEMBL511115	
DB03849	Cilomilast	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17155857	"Kroegel C, Foerster M: Phosphodiesterase-4 inhibitors as a novel approach for the treatment of respiratory disease: cilomilast. Expert Opin Investig Drugs. 2007 Jan;16(1):109-24."	Investigational	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Phosphodiesterase 4 Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Cyclohexanes; Phosphodiesterase Inhibitors"	COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N						46505062	D01704				Cilomilast	CHEMBL511115	
DB03856	L-Eflornithine	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCCC[C@@](N)(C(F)F)C(O)=O						46506167						CHEMBL222838	
DB03860	ICI-164384	BE0000792	ESR2	Q92731	ESR2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Hydrocarbons, Acyclic; Steroids; Gonadal Steroid Hormones; Alkenes; Gonadal Hormones; Alkynes; Estranes; Hormones; Amides; Hormone Antagonists; Estradiol Congeners; Estrogen Antagonists; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H]						46506133					ICI-164384	CHEMBL1222035	
DB03861	"(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine"	BE0003196	KCNMB2	Q9Y691	KCMB2_HUMAN				Experimental	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines		[H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O						46508888							
DB03864	Monothioglycerol	BE0002148	PREP	P48147	PPCE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Sugar Alcohols; Carbohydrates; Triose Sugar Alcohols; Alcohols	OC[C@@H](O)CS						46508507					"3-Mercaptopropane-1,2-diol"		1363062
DB03867	3-nitro-L-tyrosine	BE0000648	GSR	P00390	GSHR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O						46507718							
DB03880	Batimastat	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic"	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC						46505727	D03061			DNC000274	Batimastat	CHEMBL279786	
DB03880	Batimastat	BE0003730	ADAMTS5	Q9UNA0	ATS5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic"	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC						46505727	D03061			DNC000274	Batimastat	CHEMBL279786	
DB03880	Batimastat	BE0001198	MMP12	P39900	MMP12_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic"	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC						46505727	D03061			DNC000274	Batimastat	CHEMBL279786	
DB03880	Batimastat	BE0001637	MMP16	P51512	MMP16_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Metalloendopeptidases, antagonists & inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Sulfur Compounds; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Amino Acids, Aromatic"	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC						46505727	D03061			DNC000274	Batimastat	CHEMBL279786	
DB03882	"5-Alpha-Androstane-3-Beta,17beta-Diol"	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	20557886	"Norata GD, Cattaneo P, Poletti A, Catapano AL: The androgen derivative 5alpha-androstane-3beta,17beta-diol inhibits tumor necrosis factor alpha and lipopolysaccharide induced inflammatory response in human endothelial cells and in mice aorta. Atherosclerosis. 2010 Sep;212(1):100-6. doi: 10.1016/j.atherosclerosis.2010.05.015. Epub 2010 May 19."	Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids		[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C						46508740						CHEMBL316048	
DB03884	Phenylpyruvic acid	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyruvic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives	"Pyruvates; Acids, Carbocyclic; Keto Acids"	OC(=O)C(=O)CC1=CC=CC=C1		Phenylalanine and Tyrosine Metabolism; Tyrosinemia Type 2 (or Richner-Hanhart Syndrome); Tyrosinemia Type 3 (TYRO3); Phenylketonuria	disease; metabolic			46506809					Phenylpyruvic_acid	CHEMBL1162488	
DB03886	Biopterin	BE0000909	SPR	P35270	SPRE_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biopterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives	"Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins"	C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1						46505723					Biopterin		
DB03886	Biopterin	BE0004520	PTS	Q03393	PTPS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biopterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives	"Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins"	C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1						46505723					Biopterin		
DB03886	Biopterin	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biopterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives	"Pteridines; Heterocyclic Compounds, Fused-Ring; Coenzymes; Enzymes and Coenzymes; Pterins"	C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1						46505723					Biopterin		
DB03892	5-N-Allyl-arginine	BE0000067	NOS1	P29475	NOS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Arginine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCC\[NH+]=C(/N)NCC=C)C(O)=O						46508041							
DB03894	N-Propargyl-1(S)-Aminoindan	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	10592235; 9564630	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Sterling J, Veinberg A, Lerner D, Goldenberg W, Levy R, Youdim M, Finberg J: (R)(+)-N-propargyl-1-aminoindan (rasagiline) and derivatives: highly selective and potent inhibitors of monoamine oxidase B. J Neural Transm Suppl. 1998;52:301-5."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		[H][C@@]1(CCC2=C1C=CC=C2)NCC#C						46506590						CHEMBL1235738	
DB03896	Triphosphoric acid	BE0004515	PAPOLA	P51003	PAPOA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Non-metal phosphates	Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal phosphates	"Anions; Electrolytes; Ions; Phosphorus Compounds; Phosphoric Acids; Acids; Phosphorus Acids; Acids, Noncarboxylic"	OP(O)(=O)OP(O)(=O)OP(O)(O)=O		Segawa Syndrome; Pterine Biosynthesis; Hyperphenylalaninemia Due to DHPR-Deficiency; Sepiapterin Reductase Deficiency; Hyperphenylalaninemia Due to 6-Pyruvoyltetrahydropterin Synthase Deficiency (ptps); DOPA-Responsive Dystonia; Hyperphenylalaniemia Due to Guanosine Triphosphate Cyclohydrolase Deficiency	disease; metabolic			46507939					Triphosphoric_acid	CHEMBL1230191	1364529
DB03899	9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC=C(OC)C=C2)=NC2=C(N)N=CN=C12						46505705						CHEMBL112834	
DB03900	tert-butanol	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Tertiary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Fatty Alcohols; Lipids; Alcohols; Butanols	CC(C)(C)O						46507480					Tert-Butyl_alcohol	CHEMBL16502	1363061
DB03904	Urea	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Ureas	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas	"Blood Substitutes and Perfusion Solutions; Solutions Producing Osmotic Diuresis; Blood and Blood Forming Organs; Diuretics, Osmotic; Amides; Dermatologicals; Carbamide products; Keratolytic Agents; Emollients and Protectives; i.v. Solutions"	NC(N)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Metolazone Action Pathway; Bumetanide Action Pathway; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Polythiazide Action Pathway; Trichlormethiazide Action Pathway; Hyperprolinemia Type II; Hartnup Disorder; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Indapamide Action Pathway; Torsemide Action Pathway; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Hydrochlorothiazide Action Pathway; Triamterene Action Pathway; Lysinuric Protein Intolerance; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Eplerenone Action Pathway; Hyperprolinemia Type I; Glucose Transporter Defect (SGLT2); Arginine and Proline Metabolism; Methyclothiazide Action Pathway; Cystinuria; Spironolactone Action Pathway; Blue Diaper Syndrome; Furosemide Action Pathway; Quinethazone Action Pathway"	disease; metabolic; drug_action		8755	46508687	D00023	PA451831			Urea	CHEMBL985	11002
DB03904	Urea	BE0000985	CTNNB1	P35222	CTNB1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Ureas	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas	"Blood Substitutes and Perfusion Solutions; Solutions Producing Osmotic Diuresis; Blood and Blood Forming Organs; Diuretics, Osmotic; Amides; Dermatologicals; Carbamide products; Keratolytic Agents; Emollients and Protectives; i.v. Solutions"	NC(N)=O		"Citrullinemia Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); Metolazone Action Pathway; Bumetanide Action Pathway; D-Arginine and D-Ornithine Metabolism; Hyperornithinemia with Gyrate Atrophy (HOGA); Polythiazide Action Pathway; Trichlormethiazide Action Pathway; Hyperprolinemia Type II; Hartnup Disorder; Argininosuccinic Aciduria; L-Arginine:Glycine Amidinotransferase Deficiency; Indapamide Action Pathway; Torsemide Action Pathway; Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency); Hydrochlorothiazide Action Pathway; Triamterene Action Pathway; Lysinuric Protein Intolerance; Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency; Carbamoyl Phosphate Synthetase Deficiency; Eplerenone Action Pathway; Hyperprolinemia Type I; Glucose Transporter Defect (SGLT2); Arginine and Proline Metabolism; Methyclothiazide Action Pathway; Cystinuria; Spironolactone Action Pathway; Blue Diaper Syndrome; Furosemide Action Pathway; Quinethazone Action Pathway"	disease; metabolic; drug_action		8755	46508687	D00023	PA451831			Urea	CHEMBL985	11002
DB03906	2-Phenylheme	BE0000735	HMOX1	P09601	HMOX1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC1=C(C=C)C2=CC3=[N+]4C(=CC5=C(C)C(CCC(O)=O)=C6N5[Fe]44N2C1=CC1=[N+]4C(C(CCC(O)=O)=C1C)=C6C1=CC=CC=C1)C(C=C)=C3C						46508548							
DB03907	"N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide"	BE0002089	COMT	P21964	COMT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	5'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides"		[H]N([H])C1=C2N=CN([C@@H]3O[C@H](\C=C\CN([H])C(=O)C4=C(O)C(O)=CC(=C4)[N+]([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1						46504513							
DB03909	"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate"	BE0000033	INSR	P06213	INSR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506243						CHEMBL133463	
DB03909	"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate"	BE0000042	PDXK	O00764	PDXK_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506243						CHEMBL133463	
DB03909	"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate"	BE0003115	KIF1A	Q12756	KIF1A_HUMAN				Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506243						CHEMBL133463	
DB03910	"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		NC(=N)SCCC1=CC(CCSC(N)=N)=CC=C1						46506476						CHEMBL107201	
DB03918	"6S-5,6,7,8-Tetrahydrobiopterin"	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biopterins and derivatives	Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives		[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@H](O)[C@@H](C)O						46505886							
DB03921	4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives		N1C=C(C(=N1)C1=NC=CC=C1)C1=C2C=CC=CC2=NC=C1						46505424						CHEMBL261454	
DB03925	Freselestat	BE0000394	ELANE	P08246	ELNE_HUMAN	inhibitor	11752352; 14530017	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Yoshimura Y, Hiramatsu Y, Sato Y, Homma S, Enomoto Y, Jikuya T, Sakakibara Y: ONO-6818, a novel, potent neutrophil elastase inhibitor, reduces inflammatory mediators during simulated extracorporeal circulation. Ann Thorac Surg. 2003 Oct;76(4):1234-9."	Experimental; Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Leukocyte Elastase, antagonists & inhibitors; Pyrimidines; Oxazoles"	CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C						46504912				DNC001061			
DB03929	D-Serine	BE0000433	GLRA1	P23415	GLRA1_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Experimental	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@H](CO)C(O)=O		Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Lincomycin Action Pathway; Gentamicin Action Pathway; Azithromycin Action Pathway; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Doxycycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46508200				DCL000784	Serine	CHEMBL285123	1742747
DB03929	D-Serine	BE0004463	SERPINB3	P29508	SPB3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@H](CO)C(O)=O		Demeclocycline Action Pathway; Josamycin Action Pathway; Kanamycin Action Pathway; Lincomycin Action Pathway; Gentamicin Action Pathway; Azithromycin Action Pathway; Methacycline Action Pathway; Non-Ketotic Hyperglycinemia; Clarithromycin Action Pathway; Minocycline Action Pathway; Paromomycin Action Pathway; Lymecycline Action Pathway; Glycine and Serine Metabolism; Troleandomycin Action Pathway; Amikacin Action Pathway; Dimethylglycine Dehydrogenase Deficiency; Oxytetracycline Action Pathway; Tetracycline Action Pathway; Doxycycline Action Pathway; Spectinomycin Action Pathway; Erythromycin Action Pathway; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Telithromycin Action Pathway; Neomycin Action Pathway; Roxithromycin Action Pathway; Tigecycline Action Pathway; Sarcosinemia; Arbekacin Action Pathway; Chloramphenicol Action Pathway; Clindamycin Action Pathway	disease; metabolic; drug_action			46508200				DCL000784	Serine	CHEMBL285123	1742747
DB03932	LFA703	BE0000516	ITGAL	P20701	ITAL_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		[H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H]						46504607							
DB03935	"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid"	BE0001015	FGF2	P09038	FGF2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glucuronic acid derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O						46508396							
DB03937	D-erythrose 4-phosphate	BE0001199	GPI	P06744	G6PI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O						46505463					Erythrose_4-phosphate	CHEMBL1232448	
DB03940	Oxamic Acid	BE0000068	LDHB	P07195	LDHB_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Glyoxylates; Acids, Aldehydic; Amino Acids, Peptides, and Proteins"	NC(=O)C(O)=O						46507735						CHEMBL15976	
DB03955	1-deoxymannojirimycin	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Imino Pyranoses; Anti-Infective Agents; Piperidines; Enzyme Inhibitors; Carbohydrates; Imines; Alkaloids; Imino Sugars	[H][C@@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O						46509136						CHEMBL84844	
DB03959	"N,O6-Disulfo-Glucosamine"	BE0001015	FGF2	P09038	FGF2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O						46508184							
DB03959	"N,O6-Disulfo-Glucosamine"	BE0000689	FGF1	P05230	FGF1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O						46508184							
DB03959	"N,O6-Disulfo-Glucosamine"	BE0001541	HS3ST3A1	Q9Y663	HS3SA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O						46508184							
DB03959	"N,O6-Disulfo-Glucosamine"	BE0001121	HGF	P14210	HGF_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O						46508184							
DB03963	S-(Dimethylarsenic)Cysteine	BE0001164	TLR2	O60603	TLR2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS[As](C)C)C(O)=O						46508261							
DB03963	S-(Dimethylarsenic)Cysteine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS[As](C)C)C(O)=O						46508261							
DB03963	S-(Dimethylarsenic)Cysteine	BE0001597	COPG1	Q9Y678	COPG1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS[As](C)C)C(O)=O						46508261							
DB03963	S-(Dimethylarsenic)Cysteine	BE0001585	XRCC4	Q13426	XRCC4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CS[As](C)C)C(O)=O						46508261							
DB03964	4-Hydroxy-Aconitate Ion	BE0004504	ACO2	Q99798	ACON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives		[H]\C(C([O-])=O)=C(/C([O-])=O)[C@@]([H])(O)C([O-])=O						46504769							
DB03968	"1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine"	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines		CN1C(=O)CCC1(C)C						46507689							
DB03971	Acarbose Derived Hexasaccharide	BE0002639	AMY2A	P04746	AMYP_HUMAN	ligand	30724629; 10592235	"Proenca C, Freitas M, Ribeiro D, Tome SM, Oliveira EFT, Viegas MF, Araujo AN, Ramos MJ, Silva AMS, Fernandes PA, Fernandes E: Evaluation of a flavonoids library for inhibition of pancreatic alpha-amylase towards a structure-activity relationship. J Enzyme Inhib Med Chem. 2019 Dec;34(1):577-588. doi: 10.1080/14756366.2018.1558221.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O						46506963							
DB03974	L-homoarginine	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Arginine; Amino Acids, Diamino"	N[C@@H](CCCCNC(N)=N)C(O)=O						46506308						CHEMBL589752	
DB03980	4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1						46508668						CHEMBL590753	
DB03981	"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid"	BE0001015	FGF2	P09038	FGF2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Sulfuric acid monoesters	Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters		[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O						46508196							
DB03981	"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid"	BE0001541	HS3ST3A1	Q9Y663	HS3SA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Sulfuric acid monoesters	Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters		[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O						46508196							
DB03982	"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2						46506987						CHEMBL64934	
DB03984	Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide	BE0001646	CTSS	P25774	CATS_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CSCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)N1CCOCC1)C=O						46507654							
DB03987	"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrido[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines; Pyrido[2,3-d]pyrimidines"		COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1						46505335						CHEMBL36245	
DB03994	Ethanolamine	BE0003201	ANXA3	P12429	ANXA3_HUMAN				Experimental	"1,2-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Amino Alcohols; Vascular Sclerosing Activity; Sclerosing Solutions; Amines; Alcohols; Ethanolamines; Sclerosing Activity	NCCO		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46508846	D05074				Ethanolamine	CHEMBL104943	24457
DB03996	"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol"	BE0001852	KIF11	P52732	KIF11_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		[H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1						46504828							
DB04000	Bromo-Willardiine	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O						46506954						CHEMBL333964	
DB04001	6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives		OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O						46507416						CHEMBL342478	
DB04009	Dimethyl Propionate Ester Heme	BE0001173	CYB5A	P00167	CYB5_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C						46505974							
DB04010	2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Phenylbenzimidazoles		COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O						46505442						CHEMBL134022	
DB04013	1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(=O)OC						46507579						CHEMBL133097	
DB04014	Alsterpaullone	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines	"CDC2 Protein Kinase; Heterocyclic Compounds, Fused-Ring"	[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1						46504736				DNC000188		CHEMBL50894	
DB04018	S-Isopropyl-Isothiourea	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isothioureas	Organic compounds; Organosulfur compounds; Isothioureas		CC(C)SC(N)=N						46505190						CHEMBL483091	
DB04020	"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol"	BE0000792	ESR2	Q92731	ESR2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1						46505687						CHEMBL346455	
DB04044	4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC=C2)C=C1)C(O)=O						46507160						CHEMBL326611	
DB04050	N-Propyl Isocyanide	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic isocyanides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides		CCC[N+]#[C-]						46505477							
DB04054	"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12						46507870						CHEMBL326651	
DB04055	"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium"	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CC[N+]1=C(C)C(C(=O)OC(C)C)=C(C2=CC=CC=C2Cl)C(C(O)=O)=C1C(O)=O						46506866							
DB04065	N-Cyclopentyl-N-Cyclobutylformamide	BE0000227	ADH1A	P07327	ADH1A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tertiary carboxylic acid amides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives		O=CN(C1CCC1)C1CCCC1						46506821						CHEMBL45844	
DB04066	p-Coumaric acid	BE0003795	PTGR1	Q14914	PTGR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroxycinnamic acids	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives	"Antioxidants; Anti-Infective Agents; Contraceptive Agents, Male; Biological Factors; Adrenal Cortex Hormones; Acids, Carbocyclic; Protective Agents; Free Radical Scavengers; Hormonal Contraceptives for Systemic Use; Cinnamates; Reproductive Control Agents; Compounds used in a research, industrial, or household setting"	OC(=O)\C=C\C1=CC=C(O)C=C1						46508796					P-Coumaric_acid	CHEMBL66879	1485787
DB04069	"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine"	BE0001776	DAPK1	P53355	DAPK1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		NC1=NN=C2C(CCC3=CC=CC=C23)=C1						46505857							
DB04071	Cpad	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleotide sugars	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars"		NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O						46507346						CHEMBL1235132	
DB04072	Alpha-Methylisocitric Acid	BE0004504	ACO2	Q99798	ACON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives		C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O						46507976							
DB04083	N(6)-(pyridoxal phosphate)-L-lysine	BE0000273	CCBL1	Q16773	KAT1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O						46505083							
DB04083	N(6)-(pyridoxal phosphate)-L-lysine	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O						46505083							
DB04083	N(6)-(pyridoxal phosphate)-L-lysine	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O						46505083							
DB04083	N(6)-(pyridoxal phosphate)-L-lysine	BE0000316	AGXT	P21549	SPYA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O						46505083							
DB04088	2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C						46506877				DNC000977		CHEMBL325029	
DB04099	Deamido-Nad+	BE0001832	NMNAT3	Q96T66	NMNA3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"		NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1						46507165							
DB04106	Fotemustine	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Dialkyl alkylphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Phosphonic acid diesters	Nitrosoureas; Nitroso Compounds; Antineoplastic and Immunomodulating Agents; Alkylating Drugs; Amides; Antineoplastic Agents	CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O						46505097					Fotemustine		
DB04108	"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide"	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1						46508224							
DB04109	"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine"	BE0001583	PRSS3	P35030	TRY3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		NC(=[NH2+])C1=CC=C(COB2OCCO2)C=C1						46505423							
DB04112	(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phosphoethanolamines	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters		[H]N([C@H](COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCSC)C(C)=O						46506883							
DB04113	N-Formylpiperidine	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	"Alcohol Dehydrogenase, antagonists & inhibitors"	[H]C(=O)N1CCCCC1						46508673					N-Formylpiperidine	CHEMBL1232817	
DB04117	"4-(N,N-Dimethylamino)cinnamoyl-CoA"	BE0004500	ECHS1	P30084	ECHM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-enoyl CoAs	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters		[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)\C=C\C4=CC=C(C=C4)N(C)C)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1						46505326							
DB04119	Hexatantalum Dodecabromide	BE0004076	CAMK2A	Q9UQM7	KCC2A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+]						46506269							
DB04126	N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C						46505427							
DB04126	N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane	BE0003970	CTSH	P09668	CATH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C						46505427							
DB04129	Willardiine	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental			"Pyrimidinones; Amino Acids; Pyrimidines; Amino Acids, Peptides, and Proteins"	NOC(=O)CCN1C=CC(=O)NC1=O						46504988						CHEMBL122005	
DB04137	Guanosine-5'-Triphosphate	BE0004594	RHEB	Q15382	RHEB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46507835						CHEMBL1233147	
DB04137	Guanosine-5'-Triphosphate	BE0001073	PFKFB1	P16118	F261_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46507835						CHEMBL1233147	
DB04137	Guanosine-5'-Triphosphate	BE0000180	GLUD1	P00367	DHE3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside triphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46507835						CHEMBL1233147	
DB04140	1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@]1(CC(=O)N(CC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO						46505586						CHEMBL7390	
DB04141	"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O						46505303							
DB04141	"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O						46505303							
DB04141	"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"	BE0000176	SDHA	P31040	SDHA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O						46505303							
DB04141	"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"	BE0002254	SDHB	P21912	SDHB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O						46505303							
DB04141	"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"	BE0003887	ETFDH	Q16134	ETFD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl glycosides of mono- and disaccharides	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides		[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O						46505303							
DB04142	"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C						46505818							
DB04147	Dodecyldimethylamine N-oxide	BE0004166	DSTN	P60981	DEST_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain alkyl amine oxides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides	"Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)[O-]						46506355						CHEMBL1233973	
DB04147	Dodecyldimethylamine N-oxide	BE0004168	NFE2L1	Q14494	NF2L1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain alkyl amine oxides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides	"Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)[O-]						46506355						CHEMBL1233973	
DB04147	Dodecyldimethylamine N-oxide	BE0004174	CFL1	P23528	COF1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain alkyl amine oxides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides	"Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)[O-]						46506355						CHEMBL1233973	
DB04147	Dodecyldimethylamine N-oxide	BE0002196	MAOB	P27338	AOFB_HUMAN	ligand	10592235; 12913124	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Binda C, Li M, Hubalek F, Restelli N, Edmondson DE, Mattevi A: Insights into the mode of inhibition of human mitochondrial monoamine oxidase B from high-resolution crystal structures. Proc Natl Acad Sci U S A. 2003 Aug 19;100(17):9750-5. Epub 2003 Aug 11."	Experimental	Long-chain alkyl amine oxides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides	"Methylamines; Detergents; Amines; Surface-Active Agents; Household Products; Compounds used in a research, industrial, or household setting"	CCCCCCCCCCCC[N+](C)(C)[O-]						46506355						CHEMBL1233973	
DB04149	(R)-Rolipram	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines		[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1						46507909		PA153906323		DNC000014		CHEMBL430893	
DB04149	(R)-Rolipram	BE0001287	PDE4D	Q08499	PDE4D_HUMAN				Experimental	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines		[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1						46507909		PA153906323		DNC000014		CHEMBL430893	
DB04150	"N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine"	BE0002200	PAM	P19021	AMD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N([C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)N([H])[C@H]([C@@H](C)O)C(O)=O)C(C)=O						46505151							
DB04152	"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O						46507460						CHEMBL28472	
DB04163	"5-Phenylsulfanyl-2,4-Quinazolinediamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		NC1=NC2=C(C(N)=N1)C(SC1=CC=CC=C1)=CC=C2						46506958						CHEMBL100239	
DB04166	Anthranilic acid	BE0004566	IL4I1	Q96RQ9	OXLA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Central Nervous System Agents; Benzoates; Acids, Carbocyclic; Benzene Derivatives; Aminobenzoates"	NC1=CC=CC=C1C(O)=O						46504575		PA10247			Anthranilic_acid	CHEMBL14173	
DB04166	Anthranilic acid	BE0004141	DAO	P14920	OXDA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Central Nervous System Agents; Benzoates; Acids, Carbocyclic; Benzene Derivatives; Aminobenzoates"	NC1=CC=CC=C1C(O)=O						46504575		PA10247			Anthranilic_acid	CHEMBL14173	
DB04175	Mdl-29951	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Fatty Acids, Volatile; Heterocyclic Compounds, Fused-Ring; Lipids; Acids, Acyclic; Fatty Acids"	OC(=O)CCC1=C(NC2=C1C(Cl)=CC(Cl)=C2)C(O)=O						46509090						CHEMBL31344	
DB04178	Di-Stearoyl-3-Sn-Phosphatidylcholine	BE0001112	BPI	P17213	BPI_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phosphatidylcholines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines		[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC						46507572							
DB04185	Norvaline	BE0000347	GATM	P50440	GATM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Branched-Chain"	CCC[C@H](N)C(O)=O						46507762					Norvaline	CHEMBL55612	
DB04187	"(9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene"	BE0000807	GSTM1	P09488	GSTM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@]1([H])[C@@H](O)C2=CC=CC=C2C2=CC=CC=C12)C(=O)N([H])CC(O)=O)C(O)=O						46506704							
DB04195	Heptulose-2-Phosphate	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						46508053							
DB04197	Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-hydroxyguanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines		N\C(NO)=N/CCC[NH3+]						46508352							
DB04204	[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1						46504784						CHEMBL1161222	
DB04207	L-Saccharopine	BE0000073	AASS	Q9UDR5	AASS_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino"	N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O		"Glutaric Aciduria Type I; Hyperlysinemia II or Saccharopinuria; Hyperlysinemia I, Familial; 2-Aminoadipic 2-Oxoadipic Aciduria; Saccharopinuria/Hyperlysinemia II; Lysine Degradation; Pyridoxine Dependency with Seizures"	disease; metabolic			46505056					Saccharopine		
DB04209	Dequalinium	BE0001156	XIAP	P98170	XIAP_HUMAN	antagonist	21340509	"Orzaez M, Gortat A, Sancho M, Carbajo RJ, Pineda-Lucena A, Palacios-Rodriguez Y, Perez-Paya E: Characterization of dequalinium as a XIAP antagonist that targets the BIR2 domain. Apoptosis. 2011 May;16(5):460-7. doi: 10.1007/s10495-011-0582-4."	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants"	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2					5913	46507206					Dequalinium	CHEMBL333826	3226
DB04209	Dequalinium	BE0005300	CNGA1	P29973	CNGA1_HUMAN	blocker	12508052	"Rosenbaum T, Islas LD, Carlson AE, Gordon SE: Dequalinium: a novel, high-affinity blocker of CNGA1 channels. J Gen Physiol. 2003 Jan;121(1):37-47."	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants"	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2					5913	46507206					Dequalinium	CHEMBL333826	3226
DB04209	Dequalinium	BE0000553	KCNMA1	Q12791	KCMA1_HUMAN	inhibitor	8100530	"Castle NA, Haylett DG, Morgan JM, Jenkinson DH: Dequalinium: a potent inhibitor of apamin-sensitive K+ channels in hepatocytes and of nicotinic responses in skeletal muscle. Eur J Pharmacol. 1993 May 19;236(2):201-7."	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants"	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2					5913	46507206					Dequalinium	CHEMBL333826	3226
DB04209	Dequalinium	BE0004427	KCNN3	Q9UGI6	KCNN3_HUMAN	blocker	33577890	Bailly C: Medicinal applications and molecular targets of dequalinium chloride. Biochem Pharmacol. 2021 Apr;186:114467. doi: 10.1016/j.bcp.2021.114467. Epub 2021 Feb 10.	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants"	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2					5913	46507206					Dequalinium	CHEMBL333826	3226
DB04209	Dequalinium	BE0000878	SNCA	P37840	SYUA_HUMAN	modulator	33577890	Bailly C: Medicinal applications and molecular targets of dequalinium chloride. Biochem Pharmacol. 2021 Apr;186:114467. doi: 10.1016/j.bcp.2021.114467. Epub 2021 Feb 10.	Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Quinolinium Compounds; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Quinoline Derivatives; Throat Preparations; Anti-Bacterial Agents; Gynecological Antiinfectives and Antiseptics; Dermatologicals; Genito Urinary System and Sex Hormones; Anti-Infective Agents, Local; Quinolines; Miscellaneous Anti-infectives; Antiseptics and Disinfectants"	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2					5913	46507206					Dequalinium	CHEMBL333826	3226
DB04213	N-Cyclohexyl-N'-(Propyl)Phenyl Urea	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives		O=C(NCCCC1=CC=CC=C1)NC1CCCCC1						46506245						CHEMBL1231909	
DB04216	Quercetin	BE0003840	ATP5A1	P25705	ATPA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0004327	HIBCH	Q6NVY1	HIBCH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0004328	STK17B	O94768	ST17B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0000123	ESR1	P03372	ESR1_HUMAN		11502892; 15182386; 15937998; 9751507	"Maggiolini M, Bonofiglio D, Marsico S, Panno ML, Cenni B, Picard D, Ando S: Estrogen receptor alpha mediates the proliferative but not the cytotoxic dose-dependent effects of two major phytoestrogens on human breast cancer cells. Mol Pharmacol. 2001 Sep;60(3):595-602.@@Leung LK, Po LS, Lau TY, Yuen YM: Effect of dietary flavonols on oestrogen receptor transactivation and cell death induction. Br J Nutr. 2004 Jun;91(6):831-9.@@van der Woude H, Ter Veld MG, Jacobs N, van der Saag PT, Murk AJ, Rietjens IM: The stimulation of cell proliferation by quercetin is mediated by the estrogen receptor. Mol Nutr Food Res. 2005 Aug;49(8):763-71.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0000792	ESR2	Q92731	ESR2_HUMAN		11502892; 15182386; 15937998; 9751507	"Maggiolini M, Bonofiglio D, Marsico S, Panno ML, Cenni B, Picard D, Ando S: Estrogen receptor alpha mediates the proliferative but not the cytotoxic dose-dependent effects of two major phytoestrogens on human breast cancer cells. Mol Pharmacol. 2001 Sep;60(3):595-602.@@Leung LK, Po LS, Lau TY, Yuen YM: Effect of dietary flavonols on oestrogen receptor transactivation and cell death induction. Br J Nutr. 2004 Jun;91(6):831-9.@@van der Woude H, Ter Veld MG, Jacobs N, van der Saag PT, Murk AJ, Rietjens IM: The stimulation of cell proliferation by quercetin is mediated by the estrogen receptor. Mol Nutr Food Res. 2005 Aug;49(8):763-71.@@Kuiper GG, Lemmen JG, Carlsson B, Corton JC, Safe SH, van der Saag PT, van der Burg B, Gustafsson JA: Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology. 1998 Oct;139(10):4252-63."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0003721	AHR	P35869	AHR_HUMAN		19299563	"Flaveny CA, Murray IA, Chiaro CR, Perdew GH: Ligand selectivity and gene regulation by the human aryl hydrocarbon receptor in transgenic mice. Mol Pharmacol. 2009 Jun;75(6):1412-20. doi: 10.1124/mol.109.054825. Epub 2009 Mar 19."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		21053930	"Shimada T, Tanaka K, Takenaka S, Murayama N, Martin MV, Foroozesh MK, Yamazaki H, Guengerich FP, Komori M: Structure-function relationships of inhibition of human cytochromes P450 1A1, 1A2, 1B1, 2C9, and 3A4 by 33 flavonoid derivatives. Chem Res Toxicol. 2010 Dec 20;23(12):1921-35. doi: 10.1021/tx100286d."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0009017	EIF3F	O00303	EIF3F_HUMAN		21798748	"Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		21798748	"Wang RE, Hunt CR, Chen J, Taylor JS: Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins. Bioorg Med Chem. 2011 Aug 15;19(16):4710-20. doi: 10.1016/j.bmc.2011.07.005. Epub 2011 Jul 13."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04216	Quercetin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	26238175	"Lau AJ, Chang TK: 3-Hydroxyflavone and structural analogues differentially activate pregnane X receptor: Implication for inflammatory bowel disease. Pharmacol Res. 2015 Oct;100:64-72. doi: 10.1016/j.phrs.2015.07.031. Epub 2015 Jul 31."	Experimental; Investigational	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antioxidants; Cytochrome P-450 CYP1A2 Inhibitors (weak); Benzopyrans; Flavonols; Protective Agents; Pyrans; COMT Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein inhibitors; Chromones; Biological Factors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Organic Anion Transporting Polypeptide 2B1 Inhibitors; COMT Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Flavonoids; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors"	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						46506533				DAP001419	Quercetin	CHEMBL50	9060
DB04218	1-Deaza-Adenosine	BE0002214	ADA	P00813	ADA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glycosylamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O						46505798						CHEMBL115824	
DB04223	Nitroarginine	BE0000263	NOS3	P29474	NOS3_HUMAN		11695891; 10592235	"Raman CS, Li H, Martasek P, Southan G, Masters BS, Poulos TL: Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry. 2001 Nov 13;40(45):13448-55.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Arginine; Amino Acids, Diamino"	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O						46508354					Nitroarginine	CHEMBL227744	
DB04223	Nitroarginine	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Enzyme Inhibitors; Amino Acids, Peptides, and Proteins; Arginine; Amino Acids, Diamino"	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O						46508354					Nitroarginine	CHEMBL227744	
DB04224	Oleic Acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814; 15491415; 16731579	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75.@@Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Vet_approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated"	CCCCCCCC\C=C\CCCCCCCC(O)=O					6910	46506835	D02315				Oleic_acid	CHEMBL460657	7631
DB04224	Oleic Acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Vet_approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated"	CCCCCCCC\C=C\CCCCCCCC(O)=O					6910	46506835	D02315				Oleic_acid	CHEMBL460657	7631
DB04224	Oleic Acid	BE0000412	RXRA	P19793	RXRA_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational; Vet_approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated"	CCCCCCCC\C=C\CCCCCCCC(O)=O					6910	46506835	D02315				Oleic_acid	CHEMBL460657	7631
DB04224	Oleic Acid	BE0000215	PPARG	P37231	PPARG_HUMAN	ligand	24998974	"Zhang L, Ren XM, Wan B, Guo LH: Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma. Toxicol Appl Pharmacol. 2014 Sep 15;279(3):275-83. doi: 10.1016/j.taap.2014.06.020. Epub 2014 Jul 3."	Approved; Investigational; Vet_approved	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Monounsaturated; Oleic Acids; Lipids; Fatty Acids; Fatty Acids, Unsaturated"	CCCCCCCC\C=C\CCCCCCCC(O)=O					6910	46506835	D02315				Oleic_acid	CHEMBL460657	7631
DB04232	N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO						46506933							
DB04235	4-Amino Hexanoic Acid	BE0000253	ABAT	P80404	GABT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](N)(CC)CCC(O)=O						46506258							
DB04237	Tris(Hydroxyethyl)Aminomethane	BE0001671	AMY1A	P04745	AMY1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"1,3-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		NC(CCO)(CCO)CCO						46506740							
DB04250	Butyrylthiocholine	BE0002180	BCHE	P06276	CHLE_HUMAN	substrate	16837465; 10592235	"Bourne Y, Radic Z, Sulzenbacher G, Kim E, Taylor P, Marchot P: Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding. J Biol Chem. 2006 Sep 29;281(39):29256-67. doi: 10.1074/jbc.M603018200. Epub 2006 Jul 12.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty acyl thioesters	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters	Quaternary Ammonium Compounds; Thiocholine; Onium Compounds; Amines; Trimethyl Ammonium Compounds; Cholinesterase substrates; Sulfur Compounds; Sulfhydryl Compounds	CCCC(=O)SCC[N+](C)(C)C						46508351						CHEMBL139908	
DB04254	"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12						46505731						CHEMBL109822	
DB04256	(S)-alpha-methyl-4-carboxyphenylglycine	BE0000824	GRM1	Q13255	GRM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O						46508907						CHEMBL257626	
DB04258	Seocalcitol	BE0000779	VDR	P11473	VDR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Immunosuppressive Agents; Sterols; Vitamins; Vitamins (Fat Soluble); Immunologic Factors; Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Antineoplastic Agents; Membrane Lipids; Secosteroids	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC						46507218						CHEMBL1908376	
DB04263	Geneticin	BE0000404	ODC1	P11926	DCOR_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Anti-Infective Agents; Agents that produce neuromuscular block (indirect); Amebicides; Glycosides; Carbohydrates; Coccidiostats; Anti-Bacterial Agents; Antiprotozoals; Nephrotoxic agents; Aminoglycoside Antibacterials; Antiparasitic Agents	[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N						46505367					G418	CHEMBL215226	
DB04270	(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		[H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O						46505561						CHEMBL86658	
DB04271	"3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazole carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)NN=C1C						46506928						CHEMBL506972	
DB04272	Citric acid	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	8117658; 17505104	"Harrison DH, Bohren KM, Ringe D, Petsko GA, Gabbay KH: An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry. 1994 Mar 1;33(8):2011-20. doi: 10.1021/bi00174a006.@@Biadene M, Hazemann I, Cousido A, Ginell S, Joachimiak A, Sheldrick GM, Podjarny A, Schneider TR: The atomic resolution structure of human aldose reductase reveals that rearrangement of a bound ligand allows the opening of the safety-belt loop. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):665-72. Epub 2007 May 15."	Approved; Nutraceutical; Vet_approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes"	OC(=O)CC(O)(CC(O)=O)C(O)=O		Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate	disease; metabolic		17610	46508995	D00037	PA449021			Citric_acid	CHEMBL1261	21183
DB04272	Citric acid	BE0004566	IL4I1	Q96RQ9	OXLA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical; Vet_approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes"	OC(=O)CC(O)(CC(O)=O)C(O)=O		Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate	disease; metabolic		17610	46508995	D00037	PA449021			Citric_acid	CHEMBL1261	21183
DB04272	Citric acid	BE0004625	HGS	O14964	HGS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical; Vet_approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes"	OC(=O)CC(O)(CC(O)=O)C(O)=O		Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate	disease; metabolic		17610	46508995	D00037	PA449021			Citric_acid	CHEMBL1261	21183
DB04272	Citric acid	BE0000780	MDH2	P40926	MDHM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Nutraceutical; Vet_approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Sequestering Agents; Urinary Acidifying Agents; Calculi Dissolution Agent; Chelating Agents; Alimentary Tract and Metabolism; Acidifying Activity; Urinary Alkalinisers; Calcium Chelating Activity; Decreased Coagulation Factor Activity; Citrates; Calcium Chelating Agents; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Acid Preparations; Disinfectants (For Agents Used on Object); Tricarboxylic Acids; Hematologic Agents; Digestives, Incl. Enzymes"	OC(=O)CC(O)(CC(O)=O)C(O)=O		Mitochondrial Complex II Deficiency; Congenital Lactic Acidosis; 2-Ketoglutarate Dehydrogenase Complex Deficiency; The Oncogenic Action of Succinate; Citric Acid Cycle; The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxygluaricaciduria; Transfer of Acetyl Groups into Mitochondria; Glutaminolysis and Cancer; The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxygluaricaciduria; Pyruvate Dehydrogenase Deficiency (E2); The Oncogenic Action of 2-Hydroxyglutarate; Fumarase Deficiency; Pyruvate Dehydrogenase Deficiency (E3); Warburg Effect; The Oncogenic Action of Fumarate	disease; metabolic		17610	46508995	D00037	PA449021			Citric_acid	CHEMBL1261	21183
DB04273	"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine"	BE0000865	PNMT	P11086	PNMT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines		ClC1=CC=C2CCCNCC2=C1Cl						46504496						CHEMBL38681	
DB04275	N-acetylserotonin	BE0000909	SPR	P35270	SPRE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroxyindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Hydroxyindoles	"Inflammation Mediators; Biological Factors; Heterocyclic Compounds, Fused-Ring; Amines; Biogenic Monoamines; Tryptamines; Autacoids; Biogenic Amines; Indoles"	CC(=O)NCCC1=CNC2=C1C=C(O)C=C2		Tryptophan Metabolism	metabolic			46507511		PA140222717			N-Acetylserotonin	CHEMBL33103	
DB04276	4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium	BE0003346	CAPN1	P07384	CAN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCC[NH+]=C(N)N						46505123							
DB04285	"{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines		[H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1						46508576							
DB04287	KH064	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Fatty Acids, Volatile; Valerates; Lipids; Acids, Acyclic; Fatty Acids"	[H]N([C@@H](CCC(O)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCCCCCC1=CC=CC=C1						46505081						CHEMBL1084102	
DB04295	N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Carbohydrates; Hexoses; Monosaccharides; Amides; Glycogen Phosphorylase, antagonists & inhibitors"	[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N([H])C(=O)C1=CC=CC=C1						46507569						CHEMBL489799	
DB04297	Trichostatin A	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Antifungal Agents; Histone Deacetylase Inhibitors; Hydroxy Acids; Protein Synthesis Inhibitors; Hydroxylamines; Benzene Derivatives; Pyrans; Antineoplastic Agents"	C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C						46506659					Trichostatin_A	CHEMBL99	
DB04297	Trichostatin A	BE0003460	CASP8	Q14790	CASP8_HUMAN	activator	15809727	"Komata T, Kanzawa T, Nashimoto T, Aoki H, Endo S, Kon T, Takahashi H, Kondo S, Tanaka R: Histone deacetylase inhibitors, N-butyric acid and trichostatin A, induce caspase-8- but not caspase-9-dependent apoptosis in human malignant glioma cells. Int J Oncol. 2005 May;26(5):1345-52. doi: 10.3892/ijo.26.5.1345."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Antifungal Agents; Histone Deacetylase Inhibitors; Hydroxy Acids; Protein Synthesis Inhibitors; Hydroxylamines; Benzene Derivatives; Pyrans; Antineoplastic Agents"	C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C						46506659					Trichostatin_A	CHEMBL99	
DB04306	"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1						46504871						CHEMBL83547	
DB04307	5-Hydroxy-N-Propargyl-1(R)-Aminoindan	BE0002196	MAOB	P27338	AOFB_HUMAN	ligand	10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		[H][C@]1(CCC2=CC=C(O)C=C12)NCC#C						46507374						CHEMBL371428	
DB04312	"2,3-Difluorobenzyl Alcohol"	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl alcohols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols		OCC1=CC=CC(F)=C1F						46507720						CHEMBL1232182	
DB04315	Guanosine-5'-Diphosphate	BE0001190	RHOA	P61586	RHOA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0001035	TGM2	P21980	TGM2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004558	RAB11A	P62491	RB11A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004478	RAB8B	Q92930	RAB8B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004542	TUFM	P49411	EFTU_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004491	GNAI1	P63096	GNAI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004594	RHEB	Q15382	RHEB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004618	CDC42	P60953	CDC42_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004053	EFTUD1	Q7Z2Z2	ETUD1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004485	RAB7A	P51149	RAB7A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004448	GSPT1	P15170	ERF3A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0003278	GMDS	O60547	GMDS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0004633	SAR1B	Q9Y6B6	SAR1B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04315	Guanosine-5'-Diphosphate	BE0003284	ARL5A	Q9Y689	ARL5A_HUMAN				Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04322	LY249543	BE0000617	MTHFD1	P11586	C1TC_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)N1[H]						46505154							
DB04324	Ovalicin	BE0004117	METAP1	P53582	MAP11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Terpenes	[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O						46507847							
DB04324	Ovalicin	BE0001534	METAP2	P50579	MAP2_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Terpenes	[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O						46507847							
DB04326	Dihydroxyacetone phosphate	BE0004565	ALDOB	P05062	ALDOB_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Carbohydrates	OCC(=O)COP(O)(O)=O		"De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:4(5Z,8Z,11Z,14Z)); Glycogenosis, Type IB; Fructose and Mannose Degradation; De Novo Triacylglycerol Biosynthesis TG(16:0/16:1(9Z)/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/20:1(11Z)/20:1(11Z)); Glycerol Phosphate Shuttle; De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)); Glycolysis; De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0); De Novo Triacylglycerol Biosynthesis TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)); Glucose-6-phosphate Dehydrogenase Deficiency; De Novo Triacylglycerol Biosynthesis TG(16:1(9Z)/20:0/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:1(9Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:1(9Z)/20:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/18:0); De Novo Triacylglycerol Biosynthesis TG(18:0/18:0/20:0); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/18:0); Glycogenosis, Type VII. Tarui Disease; De Novo Triacylglycerol Biosynthesis TG(18:0/18:1(9Z)/18:2(9Z,12Z)); De Novo Triacylglycerol Biosynthesis TG(20:0/20:1(11Z)/20:1(11Z)); De Novo Triacylglycerol Biosynthesis TG(16:0/18:0/20:0); Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1); Glycerol Kinase Deficiency"	disease; metabolic			46507359					Dihydroxyacetone_phosphate	CHEMBL1161998	
DB04327	Phosphatidylethanolamine	BE0005530	PTEN	P60484	PTEN_HUMAN	substrate	15313215	"Meuillet EJ, Mahadevan D, Berggren M, Coon A, Powis G: Thioredoxin-1 binds to the C2 domain of PTEN inhibiting PTEN's lipid phosphatase activity and membrane binding: a mechanism for the functional loss of PTEN's tumor suppressor activity. Arch Biochem Biophys. 2004 Sep 15;429(2):123-33."	Experimental	Phosphatidylethanolamines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines	Phosphatidic Acids; Phospholipids; Lipids; Glycerophospholipids; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC						46506543					Phosphatidylethanolamine		
DB04327	Phosphatidylethanolamine	BE0001161	PROCR	Q9UNN8	EPCR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phosphatidylethanolamines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines	Phosphatidic Acids; Phospholipids; Lipids; Glycerophospholipids; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC						46506543					Phosphatidylethanolamine		
DB04331	Monastrol	BE0001852	KIF11	P52732	KIF11_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydropyrimidine carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Mitosis Modulators; Antimitotic Agents; Enzyme Inhibitors; Sulfur Compounds; Antineoplastic Agents	CCOC(=O)C1=C(C)NC(=S)N[C@H]1C1=CC=CC(O)=C1						46508959					Monastrol	CHEMBL254432	
DB04337	Isocyanomethane	BE0004467	MB	P02144	MYG_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic isocyanides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic isocyanides		C[N+]#[C-]						46505791					Methyl_isocyanide		
DB04338	SB220025	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors"	NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1						46506944						CHEMBL274064	
DB04338	SB220025	BE0001019	MAPK14	Q16539	MK14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors"	NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1						46506944						CHEMBL274064	
DB04339	Carbocisteine	BE0010046	PLCXD3	Q63HM9	PLCX3_HUMAN	inhibitor	16387297	"Ishibashi Y, Imai S, Inouye Y, Okano T, Taniguchi A: Effects of carbocisteine on sialyl-Lewis x expression in an airway carcinoma cell line stimulated with tumor necrosis factor-alpha. Eur J Pharmacol. 2006 Jan 20;530(3):223-8. doi: 10.1016/j.ejphar.2005.11.017. Epub 2006 Jan 4."	Approved; Investigational	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Expectorants; Respiratory System Agents; Amino Acids; Anti-Infective Agents; Amino Acids, Dicarboxylic; Sulfhydryl Compounds; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Cysteine; Anti-Infective Agents, Local; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CSCC(O)=O)C(O)=O						46507988	D00175				Carbocisteine	CHEMBL396416	2023
DB04339	Carbocisteine	BE0004604	ST3GAL5	Q9UNP4	SIAT9_HUMAN	inducer	20956181; 19281081	"Balsamo R, Lanata L, Egan CG: Mucoactive drugs. Eur Respir Rev. 2010 Jun;19(116):127-33. doi: 10.1183/09059180.00003510.@@Hooper C, Calvert J: The role for S-carboxymethylcysteine (carbocisteine) in the management of chronic obstructive pulmonary disease. Int J Chron Obstruct Pulmon Dis. 2008;3(4):659-69."	Approved; Investigational	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Expectorants; Respiratory System Agents; Amino Acids; Anti-Infective Agents; Amino Acids, Dicarboxylic; Sulfhydryl Compounds; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Cysteine; Anti-Infective Agents, Local; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](CSCC(O)=O)C(O)=O						46507988	D00175				Carbocisteine	CHEMBL396416	2023
DB04348	Taurocholic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN		19445040	"Dullens SP, Mensink RP, Mariman EC, Plat J: Differentiated CaCo-2 cells as an in-vitro model to evaluate de-novo apolipoprotein A-I production in the small intestine. Eur J Gastroenterol Hepatol. 2009 Jun;21(6):642-9."	Approved; Experimental	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	"OATP1B1/SLCO1B1 Inhibitors; Alkanesulfonic Acids; BSEP/ABCB11 inducers; Detergents; OAT3/SLC22A8 Substrates; Acids; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Gastrointestinal Agents; Hydrocarbons, Acyclic; OATP1B1/SLCO1B1 Inducers; BCRP/ABCG2 Inhibitors; Cholic Acids; Cholagogues and Choleretics; Alkanes; P-glycoprotein substrates; Steroids; Household Products; P-glycoprotein inhibitors; Fused-Ring Compounds; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Cholanes; Sulfur Acids; BSEP/ABCB11 Substrates; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Surface-Active Agents; Sulfur Compounds; Acids, Noncarboxylic"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		3671	46508273					Taurocholic_acid	CHEMBL224867	
DB04348	Taurocholic acid	BE0001967	FABP6	P51161	FABP6_HUMAN	ligand	30559664; 12486725	"Ethanic M, Stanimirov B, Pavlovic N, Golocorbin-Kon S, Al-Salami H, Stankov K, Mikov M: Pharmacological Applications of Bile Acids and Their Derivatives in the Treatment of Metabolic Syndrome. Front Pharmacol. 2018 Dec 3;9:1382. doi: 10.3389/fphar.2018.01382. eCollection 2018.@@Kurz M, Brachvogel V, Matter H, Stengelin S, Thuring H, Kramer W: Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and its comparison with homologous structures. Proteins. 2003 Feb 1;50(2):312-28."	Approved; Experimental	"Trihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	"OATP1B1/SLCO1B1 Inhibitors; Alkanesulfonic Acids; BSEP/ABCB11 inducers; Detergents; OAT3/SLC22A8 Substrates; Acids; Bile Acids and Salts; OATP1B1/SLCO1B1 Substrates; Sulfonic Acids; OAT1/SLC22A6 inhibitors; Gastrointestinal Agents; Hydrocarbons, Acyclic; OATP1B1/SLCO1B1 Inducers; BCRP/ABCG2 Inhibitors; Cholic Acids; Cholagogues and Choleretics; Alkanes; P-glycoprotein substrates; Steroids; Household Products; P-glycoprotein inhibitors; Fused-Ring Compounds; OATP2B1/SLCO2B1 substrates; OAT1/SLC22A6 Substrates; Cholanes; Sulfur Acids; BSEP/ABCB11 Substrates; Compounds used in a research, industrial, or household setting; OAT3/SLC22A8 Inhibitors; OATP1B3 substrates; Surface-Active Agents; Sulfur Compounds; Acids, Noncarboxylic"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic		3671	46508273					Taurocholic_acid	CHEMBL224867	
DB04351	Aconitate Ion	BE0004504	ACO2	Q99798	ACON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives		[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O						46508929							
DB04356	9-Deazaguanine	BE0000077	HPRT1	P00492	HPRT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines	"Purines; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Purinones; Cytochrome P-450 CYP1A2 Substrates; Xanthine derivatives"	NC1=NC2=C(NC=C2)C(=O)N1						46508363						CHEMBL367746	
DB04365	Arecoline	BE0000045	CHRM3	P20309	ACM3_HUMAN		9224827	"Jakubik J, Bacakova L, El-Fakahany EE, Tucek S: Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic acetylcholine receptors. Mol Pharmacol. 1997 Jul;52(1):172-9."	Experimental	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Cholinergic Agonists; Neurotransmitter Agents; Alkaloids; Nicotinic Acids; Cholinergic Agents; Pyridines	COC(=O)C1=CCCN(C)C1						46507231					Arecoline	CHEMBL7303	
DB04367	Debromohymenialdisine	BE0000772	TNK2	Q07912	ACK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyrroloazepines	Organic compounds; Organoheterocyclic compounds; Pyrroloazepines	"Protein Kinase C, antagonists & inhibitors"	NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2						46505283						CHEMBL255465	
DB04367	Debromohymenialdisine	BE0001824	CLK1	P49759	CLK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Pyrroloazepines	Organic compounds; Organoheterocyclic compounds; Pyrroloazepines	"Protein Kinase C, antagonists & inhibitors"	NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2						46505283						CHEMBL255465	
DB04369	"1,3,2-Dioxaborolan-2-Ol"	BE0001583	PRSS3	P35030	TRY3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dioxaborolanes	Organic compounds; Organoheterocyclic compounds; Dioxaborolanes		OB1OCCO1						46508251							
DB04372	L-Dilinoleoyllecithin	BE0000935	PCTP	Q9UKL6	PPCT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Phosphatidylcholines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines	Phosphatidic Acids; Phospholipids; Lipids; Glycerophospholipids; Glycerophosphates; Membrane Lipids	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC						46506549							
DB04374	"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole"	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl thioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CCCCCC(CCCCC)SC1=C(N=NN1)C(O)=O						46506477							
DB04376	13-Acetylphorbol	BE0002417	PRKCD	Q05655	KPCD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phorbol esters	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids		[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C						46507195						CHEMBL1235429	
DB04377	Meglutol	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hydroxy fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Dicarboxylic Acids; Lipid Modifying Agents, Plain; Enzyme Inhibitors; Antimetabolites; Anticholesteremic Agents; Acids, Acyclic; Lipid Modifying Agents; Hypolipidemic Agents; Lipid Regulating Agents; Glutarates"	CC(O)(CC(O)=O)CC(O)=O						46508063	D04897				Meglutol	CHEMBL50444	
DB04379	N-Methyl-N-(Methylbenzyl)Formamide	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 Substrates	[H][C@@](C)(N(C)C=O)C1=CC=CC=C1						46505666							
DB04381	Crotonaldehyde	BE0000133	ALDH2	P05091	ALDH2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Enals	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		[H]C(=O)\C=C\C						46506682					Crotonaldehyde	CHEMBL1086445	
DB04387	1-Hydroxy-2-Amino-3-Cyclohexylpropane	BE0000270	REN	P00797	RENI_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		N[C@H](CO)CC1CCCCC1						46506482						CHEMBL1231778	
DB04389	Ado-P-Ch2-P-Ps-Ado	BE0001687	FHIT	P49789	FHIT_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental				[H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46505234							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001065	GSK3B	P49841	GSK3B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0000858	IGF1R	P08069	IGF1R_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001108	HK1	P19367	HXK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0000841	EPHA2	P29317	EPHA2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001097	MAPK10	P53779	MK10_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001627	ITPKA	P23677	IP3KA_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0002425	TOP2B	Q02880	TOP2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0003931	PFKFB4	Q16877	F264_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001776	DAPK1	P53355	DAPK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0004549	EPHB2	P29323	EPHB2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0001195	CFTR	P13569	CFTR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0004572	VCP	P55072	TERA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0003115	KIF1A	Q12756	KIF1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0004323	SRPK2	P78362	SRPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04396	Thiodigalactoside	BE0004512	NCAN	O14594	NCAN_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thioglycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Galactosides; Thioglycosides; Glycosides; Carbohydrates; Sulfur Compounds	[H][C@]1(CO)O[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O						46509001						CHEMBL52011	
DB04397	Alpha-D-Glucose-1-Phosphate-6-Vanadate	BE0004461	PGM1	P36871	PGM1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Monosaccharide phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Vanadates	O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O						46507742							
DB04405	"2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid"	BE0001198	MMP12	P39900	MMP12_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		[H][C@](CCN1C(=O)C2=CC=CC=C2C1=O)(CC(=O)C1=CC=C(C=C1)C1=CC=C(OCC)C=C1)C(O)=O						46506783							
DB04409	Naphthalene Trisulfonate	BE0000689	FGF1	P05230	FGF1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-naphthalene sulfonates	Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives		[O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O						46506834							
DB04416	"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid"	BE0001116	MMP3	P08254	MMP3_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](CC#CCOC)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)C(O)=O						46505316							
DB04417	P-Nitrophenol	BE0004457	AMY2B	P19961	AMY2B_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrophenols	Organic compounds; Benzenoids; Phenols; Nitrophenols	Phenols; Nitro Compounds; Benzene Derivatives	OC1=CC=C(C=C1)[N+]([O-])=O						46507119				DNC000371	4-Nitrophenol	CHEMBL14130	
DB04434	Naphthyridine Inhibitor	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthyridines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines		CC1=CC=CC(=N1)C1=C(CNN1)C1=CC=C2N=CC=CC2=N1						46505221							
DB04436	3-Fluoro-L-tyrosine	BE0004453	SOD2	P04179	SODM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CC1=CC(F)=C(O)C=C1)C(O)=O						46507213						CHEMBL1236909	
DB04440	Nebularine	BE0002214	ADA	P00813	ADA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Anti-Infective Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Antineoplastic Agents"	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O						46507074						CHEMBL1399702	
DB04444	Tetrafluoroaluminate Ion	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Post-transition metal fluorides	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides		F[Al](F)(F)[F-]						46509122							
DB04444	Tetrafluoroaluminate Ion	BE0004491	GNAI1	P63096	GNAI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Post-transition metal fluorides	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides		F[Al](F)(F)[F-]						46509122							
DB04444	Tetrafluoroaluminate Ion	BE0000637	CMPK1	P30085	KCY_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Post-transition metal fluorides	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides		F[Al](F)(F)[F-]						46509122							
DB04444	Tetrafluoroaluminate Ion	BE0004489	MYH11	P35749	MYH11_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Post-transition metal fluorides	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal fluorides		F[Al](F)(F)[F-]						46509122							
DB04447	"1,4-Dithiothreitol"	BE0000574	HMGCR	P04035	HMDH_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@@H](CS)[C@@H](O)CS						46505212						CHEMBL406270	
DB04447	"1,4-Dithiothreitol"	BE0004076	CAMK2A	Q9UQM7	KCC2A_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@@H](CS)[C@@H](O)CS						46505212						CHEMBL406270	
DB04447	"1,4-Dithiothreitol"	BE0000554	ALDH1A1	P00352	AL1A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@@H](CS)[C@@H](O)CS						46505212						CHEMBL406270	
DB04447	"1,4-Dithiothreitol"	BE0000170	MSRA	Q9UJ68	MSRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@@H](CS)[C@@H](O)CS						46505212						CHEMBL406270	
DB04447	"1,4-Dithiothreitol"	BE0003316	AXIN1	O15169	AXIN1_HUMAN				Experimental	"1,2-diols"	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		O[C@@H](CS)[C@@H](O)CS						46505212						CHEMBL406270	
DB04448	"2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene"	BE0000465	ADH1C	P00326	ADH1G_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl alcohols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl alcohols		OCC1=CC=C(F)C=C1F						46505681							
DB04451	4-Methylpiperazin-1-Yl Carbonyl Group	BE0001909	CTSV	O60911	CATL2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Piperazine carboxylic acids	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CN1CCN(CC1)C(O)=O						46508298							
DB04453	"4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose"	BE0002639	AMY2A	P04746	AMYP_HUMAN	ligand	10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O						46507917							
DB04454	Alpha-Aminobutyric Acid	BE0000347	GATM	P50440	GATM_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	D-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates"	CC[C@@H](N)C(O)=O						46505337						CHEMBL553426	
DB04454	Alpha-Aminobutyric Acid	BE0000953	EGF	P01133	EGF_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	D-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates"	CC[C@@H](N)C(O)=O						46505337						CHEMBL553426	
DB04464	N-Formylmethionine	BE0004072	RABGGTA	Q92696	PGTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	[H]C(=O)N[C@@H](CCSC)C(O)=O						46505840					N-Formylmethionine		
DB04464	N-Formylmethionine	BE0004082	HLA-B	P01889	1B27_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	[H]C(=O)N[C@@H](CCSC)C(O)=O						46505840					N-Formylmethionine		
DB04464	N-Formylmethionine	BE0004083	S100G	P29377	S100G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	[H]C(=O)N[C@@H](CCSC)C(O)=O						46505840					N-Formylmethionine		
DB04464	N-Formylmethionine	BE0003990	COX6C	P09669	COX6C_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methionine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Sulfur; Sulfur Compounds; Amino Acids, Peptides, and Proteins"	[H]C(=O)N[C@@H](CCSC)C(O)=O						46505840					N-Formylmethionine		
DB04465	Lactose	BE0001353	LGALS3	P17931	LEG3_HUMAN		17385862	"Seidel RD 3rd, Zhuang T, Prestegard JH: Bound-state residual dipolar couplings for rapidly exchanging ligands of His-tagged proteins. J Am Chem Soc. 2007 Apr 18;129(15):4834-9. Epub 2007 Mar 27."	Approved; Experimental; Investigational	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Oligosaccharides; Carbohydrates; Polysaccharides; Food; Disaccharides; Food Additives; Food Ingredients; Sweetening Agents; Compounds used in a research, industrial, or household setting"	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O		Lactose Degradation; Lactose Intolerance; Lactose Synthesis; Galactosemia; Congenital Disorder of Glycosylation CDG-IId; GLUT-1 Deficiency Syndrome; Galactose Metabolism	disease; metabolic		6757	46505218	D00046	PA450161			Lactose		6211
DB04465	Lactose	BE0009999	GLB1	P16278	BGAL_HUMAN				Approved; Experimental; Investigational	O-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Flavoring Agents; Physiological Phenomena; Diet, Food, and Nutrition; Oligosaccharides; Carbohydrates; Polysaccharides; Food; Disaccharides; Food Additives; Food Ingredients; Sweetening Agents; Compounds used in a research, industrial, or household setting"	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O		Lactose Degradation; Lactose Intolerance; Lactose Synthesis; Galactosemia; Congenital Disorder of Glycosylation CDG-IId; GLUT-1 Deficiency Syndrome; Galactose Metabolism	disease; metabolic		6757	46505218	D00046	PA450161			Lactose		6211
DB04466	SR12813	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates		CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC						46506324						CHEMBL458767	
DB04468	Afimoxifene	BE0008981	TFF1	P04155	TFF1_HUMAN		14617632	"Krieg AJ, Krieg SA, Ahn BS, Shapiro DJ: Interplay between estrogen response element sequence and ligands controls in vivo binding of estrogen receptor to regulated genes. J Biol Chem. 2004 Feb 6;279(6):5025-34. Epub 2003 Nov 14."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators"	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1						175426858	D06551				Afimoxifene	CHEMBL489	
DB04468	Afimoxifene	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators"	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1						175426858	D06551				Afimoxifene	CHEMBL489	
DB04468	Afimoxifene	BE0000123	ESR1	P03372	ESR1_HUMAN		15846122	"Reed CA, Berndtson AK, Nephew KP: Dose-dependent effects of 4-hydroxytamoxifen, the active metabolite of tamoxifen, on estrogen receptor-alpha expression in the rat uterus. Anticancer Drugs. 2005 Jun;16(5):559-67."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators"	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1						175426858	D06551				Afimoxifene	CHEMBL489	
DB04468	Afimoxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN		15846122	"Reed CA, Berndtson AK, Nephew KP: Dose-dependent effects of 4-hydroxytamoxifen, the active metabolite of tamoxifen, on estrogen receptor-alpha expression in the rat uterus. Anticancer Drugs. 2005 Jun;16(5):559-67."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators"	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1						175426858	D06551				Afimoxifene	CHEMBL489	
DB04468	Afimoxifene	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Fused-Ring Compounds; Selective Estrogen Receptor Modulators; Androstenols; Stilbenes; Estrogen Antagonists; Receptors, Estrogen, agonists; Benzylidene Compounds; Androstanes; Hormone Antagonists; Benzene Derivatives; Steroids; Androstenes; Hormones, Hormone Substitutes, and Hormone Antagonists; Antineoplastic Agents; Estrogen Receptor Modulators"	CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1						175426858	D06551				Afimoxifene	CHEMBL489	
DB04469	"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1						46507765							
DB04471	"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol"	BE0000123	ESR1	P03372	ESR1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	1-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 1-phenyltetrahydroisoquinolines		OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1						46505282							
DB04472	(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol	BE0004333	LGALS9	O00182	LEG9_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		[H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O						46508026							
DB04477	"2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine"	BE0000720	GAPDHS	O14556	G3PT_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides"		[H]N([C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N=CN=C12)N([H])[C@@H]1CCCC2=CC=CC=C12)C(=O)C1=CC(OC)=CC(OC)=C1						46506101							
DB04478	"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine"	BE0000299	SORD	Q00796	DHSO_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1						46507845						CHEMBL90488	
DB04480	"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole"	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1						46504872						CHEMBL121790	
DB04485	Thymidine	BE0004639	TK2	O00142	KITM_HUMAN	substrate	17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Pyrimidine 2'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides"	"Nucleosides; Deoxyribonucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides"	CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O		UMP Synthase Deficiency (Orotic Aciduria); MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy); Dihydropyrimidinase Deficiency; beta-Ureidopropionase Deficiency; Pyrimidine Metabolism	disease; metabolic			46507598					Thymidine	CHEMBL52609	1372538
DB04489	Guanidinoethylmercaptosuccinic acid	BE0004568	CPD	O75976	CBPD_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thia fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Acids, Acyclic; Dicarboxylic Acids"	[H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H]						46506328							
DB04493	Fructose-6-phosphate	BE0002431	FBP1	P09467	F16P1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Hexosephosphates; Carbohydrates	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46507447					Fructose_6-phosphate		
DB04493	Fructose-6-phosphate	BE0001073	PFKFB1	P16118	F261_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Hexosephosphates; Carbohydrates	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46507447					Fructose_6-phosphate		
DB04493	Fructose-6-phosphate	BE0003931	PFKFB4	Q16877	F264_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Hexosephosphates; Carbohydrates	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46507447					Fructose_6-phosphate		
DB04493	Fructose-6-phosphate	BE0001199	GPI	P06744	G6PI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Sugar Phosphates; Hexosephosphates; Carbohydrates	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O						46507447					Fructose_6-phosphate		
DB04505	"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1						46504485						CHEMBL326523	
DB04519	Caprylic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Investigational	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"OAT3/SLC22A8 Inhibitors; Lipids; Acids, Acyclic; Fatty Acids; OAT1/SLC22A6 inhibitors"	CCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic		15159	46507647	D05220				Caprylic_acid	CHEMBL324846	20178
DB04522	Dexfosfoserine	BE0001193	PDPK1	O15530	PDPK1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0004463	SERPINB3	P29508	SPB3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0004632	TAOK2	Q9UL54	TAOK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0003319	KCNC4	Q03721	KCNC4_HUMAN				Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0000912	REG1A	P05451	REG1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0004445	SMAD2	Q15796	SMAD2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04522	Dexfosfoserine	BE0001195	CFTR	P13569	CFTR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Neutral"	N[C@@H](COP(O)(O)=O)C(O)=O		"Dihydropyrimidine Dehydrogenase Deficiency (DHPD); 3-Phosphoglycerate Dehydrogenase Deficiency; Glycine and Serine Metabolism; Hyperglycinemia, Non-Ketotic; Non-Ketotic Hyperglycinemia; Sarcosinemia; Dimethylglycine Dehydrogenase Deficiency"	disease; metabolic			46505297						CHEMBL284377	
DB04525	N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide	BE0000623	PTPN1	P18031	PTN1_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCCCCNC(=O)[C@H](CC1=CC=C(OCC(O)=O)C(=C1)C(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(O)=O						46506542						CHEMBL175198	
DB04527	beta-Hydroxyasparagine	BE0004630	MASP2	O00187	MASP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Asparagine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Amino Acids, Peptides, and Proteins; Amino Acids, Diamino; Amino Acids, Neutral"	N[C@@H]([C@H](O)C(N)=O)C(O)=O						46504466							
DB04530	"S,S-(2-Hydroxyethyl)Thiocysteine"	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CSSCCO)C(O)=O						46504681							
DB04530	"S,S-(2-Hydroxyethyl)Thiocysteine"	BE0000286	ARG1	P05089	ARGI1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CSSCCO)C(O)=O						46504681							
DB04530	"S,S-(2-Hydroxyethyl)Thiocysteine"	BE0001845	SERPINB5	P36952	SPB5_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CSSCCO)C(O)=O						46504681							
DB04530	"S,S-(2-Hydroxyethyl)Thiocysteine"	BE0004579	SNX3	O60493	SNX3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CSSCCO)C(O)=O						46504681							
DB04534	5-Nitroindazole	BE0000263	NOS3	P29474	NOS3_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Pyrazoles; Heterocyclic Compounds, Fused-Ring"	[O-][N+](=O)C1=CC=C2NN=CC2=C1						46505588						CHEMBL165372	
DB04537	Tryptophanamide	BE0000228	WARS	P23381	SYWC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Amino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O						46508052						CHEMBL227123	
DB04539	Glyphosate	BE0002090	CYP19A1	P11511	CP19A_HUMAN		15929894	"Richard S, Moslemi S, Sipahutar H, Benachour N, Seralini GE: Differential effects of glyphosate and roundup on human placental cells and aromatase. Environ Health Perspect. 2005 Jun;113(6):716-20."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Anti-Infective Agents; Organophosphates; Herbicides; Uncoupling Agents; Enzyme Inhibitors; Organophosphorus Compounds; Pesticides; Agrochemicals; Toxic Actions; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"	OC(=O)C[NH2+]CP(O)(O)=O						46506916				DNC000698	Glyphosate		1800093
DB04540	Cholesterol	BE0000779	VDR	P11473	VDR_HUMAN		16051528	"Mooijaart SP, Brandt BW, Baldal EA, Pijpe J, Kuningas M, Beekman M, Zwaan BJ, Slagboom PE, Westendorp RG, van Heemst D: C. elegans DAF-12, Nuclear Hormone Receptors and human longevity and disease at old age. Ageing Res Rev. 2005 Aug;4(3):351-71."	Approved; Investigational	Cholesterols and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids	Cholestanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Sterols; Lipids; Cholestenes; Steroids; BCRP/ABCG2 Inducers; Membrane Lipids	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C		"Cerivastatin Action Pathway; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; Zellweger Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Congenital Bile Acid Synthesis Defect Type II; Apparent Mineralocorticoid Excess Syndrome; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; 11-beta-Hydroxylase Deficiency (CYP11B1); Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Bile Acid Biosynthesis; Corticosterone Methyl Oxidase I Deficiency (CMO I); 27-Hydroxylase Deficiency; Steroidogenesis; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		9250	46508234	D00040				Cholesterol	CHEMBL112570	2438
DB04540	Cholesterol	BE0004545	RORA	P35398	RORA_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Cholesterols and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids	Cholestanes; Fused-Ring Compounds; P-glycoprotein inhibitors; Sterols; Lipids; Cholestenes; Steroids; BCRP/ABCG2 Inducers; Membrane Lipids	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C		"Cerivastatin Action Pathway; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; Zellweger Syndrome; Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Risedronate Action Pathway; Mevalonic Aciduria; Congenital Bile Acid Synthesis Defect Type II; Apparent Mineralocorticoid Excess Syndrome; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; 11-beta-Hydroxylase Deficiency (CYP11B1); Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Bile Acid Biosynthesis; Corticosterone Methyl Oxidase I Deficiency (CMO I); 27-Hydroxylase Deficiency; Steroidogenesis; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action		9250	46508234	D00040				Cholesterol	CHEMBL112570	2438
DB04544	1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(C)=O						46509200						CHEMBL592878	
DB04551	"beta-D-fructofuranose 1,6-bisphosphate"	BE0000046	PKLR	P30613	KPYR_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Experimental	Hexose phosphates	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O						46506743						CHEMBL97893	
DB04552	Niflumic acid	BE0000657	PLA2G4A	P47712	PA24A_HUMAN		16301791	"Jabeen T, Singh N, Singh RK, Sharma S, Somvanshi RK, Dey S, Singh TP: Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr D Biol Crystallogr. 2005 Dec;61(Pt 12):1579-86. Epub 2005 Nov 19."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; Pyridines; UGT1A9 Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Nicotinic Acids; Aminobenzoates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Antirheumatic Agents; Niflumic Acid and Prodrugs"	OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1						46504657	D08275	PA164746749		DAP000972	Niflumic_acid	CHEMBL63323	7418
DB04552	Niflumic acid	BE0003538	UGT1A9	O60656	UD19_HUMAN		16278927	"Mano Y, Usui T, Kamimura H: In vitro inhibitory effects of non-steroidal anti-inflammatory drugs on 4-methylumbelliferone glucuronidation in recombinant human UDP-glucuronosyltransferase 1A9--potent inhibition by niflumic acid. Biopharm Drug Dispos. 2006 Jan;27(1):1-6. doi: 10.1002/bdd.475."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Sensory System Agents; Antiinflammatory Preparations, Non-Steroids for Topical Use; Enzyme Inhibitors; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; ortho-Aminobenzoates; Nephrotoxic agents; Benzene Derivatives; Pyridines; UGT1A9 Inhibitors; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Benzoates; Nicotinic Acids; Aminobenzoates; Selective Cyclooxygenase 2 Inhibitors (NSAIDs); Musculo-Skeletal System; Acids, Carbocyclic; Analgesics, Non-Narcotic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Fenamates; Cyclooxygenase Inhibitors; Antirheumatic Agents; Niflumic Acid and Prodrugs"	OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1						46504657	D08275	PA164746749		DAP000972	Niflumic_acid	CHEMBL63323	7418
DB04557	Arachidonic Acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814; 15491415	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13.@@Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids"	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway	disease; metabolic; drug_action			46506683				DNC000249		CHEMBL15594	1368624
DB04557	Arachidonic Acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	ligand	15307955	"Zhao A, Yu J, Lew JL, Huang L, Wright SD, Cui J: Polyunsaturated fatty acids are FXR ligands and differentially regulate expression of FXR targets. DNA Cell Biol. 2004 Aug;23(8):519-26."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids"	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway	disease; metabolic; drug_action			46506683				DNC000249		CHEMBL15594	1368624
DB04557	Arachidonic Acid	BE0000412	RXRA	P19793	RXRA_HUMAN		15073272	"Lengqvist J, Mata De Urquiza A, Bergman AC, Willson TM, Sjovall J, Perlmann T, Griffiths WJ: Polyunsaturated fatty acids including docosahexaenoic and arachidonic acid bind to the retinoid X receptor alpha ligand-binding domain. Mol Cell Proteomics. 2004 Jul;3(7):692-703. Epub 2004 Apr 8."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Essential; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids"	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O		Arachidonic Acid Metabolism; Flurbiprofen Action Pathway; Rofecoxib Action Pathway; Ketoprofen Action Pathway; Sulindac Action Pathway; Fenoprofen Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; Tolmetin Action Pathway; Lornoxicam Action Pathway; Trisalicylate-Choline Action Pathway; Antrafenine Action Pathway; Celecoxib Action Pathway; Suprofen Action Pathway; Indomethacin Action Pathway; Valdecoxib Action Pathway; Ketorolac Action Pathway; Acetylsalicylic Acid Action Pathway; Antipyrine Action Pathway; Tiaprofenic Acid Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Ibuprofen Action Pathway; Tenoxicam Action Pathway; Salicylic Acid Action Pathway; Diclofenac Action Pathway; Nepafenac Action Pathway; Leukotriene C4 Synthesis Deficiency; Magnesium Salicylate Action Pathway; Diflunisal Action Pathway; Etodolac Action Pathway	disease; metabolic; drug_action			46506683				DNC000249		CHEMBL15594	1368624
DB04559	N-(Chlorophenyl)-N'-hydroxyguanidine	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		N\C(NO)=N/C1=CC=C(Cl)C=C1						46505348						CHEMBL323202	
DB04562	Tricarballylic acid	BE0004504	ACO2	Q99798	ACON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Acids, Acyclic"	OC(=O)CC(CC(O)=O)C(O)=O						46507955					"Propane-1,2,3-tricarboxylic_acid"	CHEMBL1236394	
DB04566	Inosinic Acid	BE0000916	PYGM	P11217	PYGM_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Heterocyclic Compounds, Fused-Ring; Purines; Purine Nucleotides; Inosine Nucleotides; Ribonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O						46504691					Inosinic_acid	CHEMBL1207374	5832
DB04573	Estriol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	2011412; 11752352	"Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; P-glycoprotein substrates; Gonadal Hormones; Estrogens; Estranes; Hormones; P-glycoprotein inducers; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Sex Hormones and Modulators of the Genital System; Estradiol Congeners; Thyroxine-binding globulin inducers; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism	metabolic			46505881	D00185	PA164769104		DAP001019	Estriol	CHEMBL193482	4094
DB04573	Estriol	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	16199482	"Mishra RG, Stanczyk FZ, Burry KA, Oparil S, Katzenellenbogen BS, Nealen ML, Katzenellenbogen JA, Hermsmeyer RK: Metabolite ligands of estrogen receptor-beta reduce primate coronary hyperreactivity. Am J Physiol Heart Circ Physiol. 2006 Jan;290(1):H295-303. Epub 2005 Sep 30."	Approved; Investigational; Vet_approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; P-glycoprotein substrates; Gonadal Hormones; Estrogens; Estranes; Hormones; P-glycoprotein inducers; Genito Urinary System and Sex Hormones; Natural and Semisynthetic Estrogens, Plain; Sex Hormones and Modulators of the Genital System; Estradiol Congeners; Thyroxine-binding globulin inducers; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3		Estrone Metabolism	metabolic			46505881	D00185	PA164769104		DAP001019	Estriol	CHEMBL193482	4094
DB04574	Estrone sulfate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Sulfated steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Sulfated steroids	"MATE 1 Substrates; MATE 2 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Estrogens, Conjugated (USP); Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Hormones; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; MATE substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3		Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism	disease; metabolic		4601	46508976		PA165958342			Estropipate	CHEMBL494753	
DB04574	Estrone sulfate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved	Sulfated steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Sulfated steroids	"MATE 1 Substrates; MATE 2 Substrates; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Estrogens, Conjugated (USP); Steroids; Cytochrome P-450 CYP2C9 Inhibitors; Hormones; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); NTCP Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; 17-Ketosteroids; MATE substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3		Sulfite Oxidase Deficiency; Estrone Metabolism; Aromatase Deficiency; 17-beta Hydroxysteroid Dehydrogenase III Deficiency; Androgen and Estrogen Metabolism; Sulfate/Sulfite Metabolism	disease; metabolic		4601	46508976		PA165958342			Estropipate	CHEMBL494753	
DB04575	Quinestrol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17139284; 17016423; 11752352; 21075131	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Shyu C, Cavileer TD, Nagler JJ, Ytreberg FM: Computational estimation of rainbow trout estrogen receptor binding affinities for environmental estrogens. Toxicol Appl Pharmacol. 2011 Feb 1;250(3):322-6. doi: 10.1016/j.taap.2010.11.005. Epub 2010 Nov 12."	Approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Fused-Ring Compounds; Norpregnanes; Norsteroids; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Norpregnatrienes; Estrogens; Hormones; Ethinyl Estradiol; Thyroxine-binding globulin inducers; Estradiol Congeners; Estrogenic Steroids, Alkylated; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3						46508939	D00576	PA164749042		DAP001016	Quinestrol	CHEMBL1201165	9066
DB04579	"N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O						46504475							
DB04581	1-benzylimidazole	BE0003330	QPCT	Q16769	QPCT_HUMAN				Experimental	N-substituted imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	Adrenergic Antagonists; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents	C(N1C=CN=C1)C1=CC=CC=C1						46506844						CHEMBL14192	
DB04585	DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID	BE0000286	ARG1	P05089	ARGI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O						46507630							
DB04588	"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1						46506992						CHEMBL200255	
DB04599	Aniracetam	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Psychoanaleptics; Nervous System; Antidepressive Agents; Nootropic Agents"	COC1=CC=C(C=C1)C(=O)N1CCCC1=O						46506607	D01883				Aniracetam	CHEMBL36994	17939
DB04599	Aniracetam	BE0000831	GRIA3	P42263	GRIA3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Psychoanaleptics; Nervous System; Antidepressive Agents; Nootropic Agents"	COC1=CC=C(C=C1)C(=O)N1CCCC1=O						46506607	D01883				Aniracetam	CHEMBL36994	17939
DB04599	Aniracetam	BE0000756	DRD2	P14416	DRD2_HUMAN		11412837	"Nakamura K, Kurasawa M: Anxiolytic effects of aniracetam in three different mouse models of anxiety and the underlying mechanism. Eur J Pharmacol. 2001 May 18;420(1):33-43."	Experimental	Benzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Psychotropic Drugs; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Psychostimulants, Agents Used for ADHD and Nootropics; Psychoanaleptics; Nervous System; Antidepressive Agents; Nootropic Agents"	COC1=CC=C(C=C1)C(=O)N1CCCC1=O						46506607	D01883				Aniracetam	CHEMBL36994	17939
DB04604	5-iodotubercidin	BE0003334	CSNK1G2	P78368	KC1G2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyrimidine nucleosides and nucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrrolopyrimidine nucleosides and nucleotides"	"Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides; Adenosine Kinase, antagonists & inhibitors"	[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						46506259						CHEMBL99203	
DB04612	"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE"	BE0001156	XIAP	P98170	XIAP_HUMAN				Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C						46504945						CHEMBL1230661	
DB04618	"4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE"	BE0002639	AMY2A	P04746	AMYP_HUMAN				Experimental	Aminocyclitol glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O						46506608							
DB04622	N-acetylhistamine	BE0003330	QPCT	Q16769	QPCT_HUMAN				Experimental	N-acetyl-2-arylethylamines	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Inflammation Mediators; Biological Factors; Amines; Biogenic Monoamines; Autacoids; Biogenic Amines; Imidazoles; Ethylamines	CC(=O)NCCC1=CNC=N1						46505086						CHEMBL1230893	
DB04630	Aldosterone	BE0000794	NR3C1	P04150	GCR_HUMAN		11861974	"Wilson VS, Bobseine K, Lambright CR, Gray LE Jr: A novel cell line, MDA-kb2, that stably expresses an androgen- and glucocorticoid-responsive reporter for the detection of hormone receptor agonists and antagonists. Toxicol Sci. 2002 Mar;66(1):69-81."	Experimental; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Corticosteroids for Systemic Use; Cytochrome P-450 CYP3A Substrates; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Mineralocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO						46505770		PA164924487		DAP001344	Aldosterone	CHEMBL273453	1312358
DB04630	Aldosterone	BE0000668	NR3C2	P08235	MCR_HUMAN	agonist	9392437; 17724138; 10592235; 19275887	"Bruner KL, Derfoul A, Robertson NM, Guerriero G, Fernandes-Alnemri T, Alnemri ES, Litwack G: The unliganded mineralocorticoid receptor is associated with heat shock proteins 70 and 90 and the immunophilin FKBP-52. Recept Signal Transduct. 1997;7(2):85-98.@@Bunda S, Liu P, Wang Y, Liu K, Hinek A: Aldosterone induces elastin production in cardiac fibroblasts through activation of insulin-like growth factor-I receptors in a mineralocorticoid receptor-independent manner. Am J Pathol. 2007 Sep;171(3):809-19.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Bergann T, Ploger S, Fromm A, Zeissig S, Borden SA, Fromm M, Schulzke JD: A colonic mineralocorticoid receptor cell model expressing epithelial Na+ channels. Biochem Biophys Res Commun. 2009 May 1;382(2):280-5. doi: 10.1016/j.bbrc.2009.03.006. Epub 2009 Mar 9."	Experimental; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; Corticosteroids for Systemic Use; Cytochrome P-450 CYP3A Substrates; Corticosteroids for Systemic Use, Plain; P-glycoprotein inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Hydroxycorticosteroids; P-glycoprotein substrates; 11-Hydroxycorticosteroids; Steroids; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Mineralocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO						46505770		PA164924487		DAP001344	Aldosterone	CHEMBL273453	1312358
DB04632	4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1						46508738						CHEMBL197277	
DB04636	Glutamine t-butyl ester	BE0003330	QPCT	Q16769	QPCT_HUMAN				Experimental	Glutamine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O						46505589							
DB04642	"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzoyl-N'-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		OC(=O)CCCCCCOC1=C(Cl)C=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1Cl						46504997							
DB04643	"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzoyl-N'-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		OC(=O)CCCOC1=CC=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1						46505304							
DB04644	"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzoyl-N'-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		CC1=C(C)C(OCCCC(O)=O)=CC=C1NC(=O)NC(=O)C1=CC=C(Cl)C=C1Cl						46507107							
DB04645	"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzoyl-N'-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		CC1=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1OCCCCC(O)=O						46507045							
DB04648	S-propylamine-L-cysteine	BE0000286	ARG1	P05089	ARGI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		NCCCSC[C@H](N)CO						46508692							
DB04652	Corticosterone	BE0000329	HSD11B1	P28845	DHI1_HUMAN	substrate	10592235; 11755176	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Pacha J, Lisa V, Miksik I: Effect of cellular differentiation on 11beta-hydroxysteroid dehydrogenase activity in the intestine. Steroids. 2002 Feb;67(2):119-26. doi: 10.1016/s0039-128x(01)00143-x."	Experimental	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic			46504547					Corticosterone	CHEMBL110739	
DB04652	Corticosterone	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic			46504547					Corticosterone	CHEMBL110739	
DB04652	Corticosterone	BE0000668	NR3C2	P08235	MCR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Fused-Ring Compounds; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; 11-Hydroxycorticosteroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO		Adrenal Hyperplasia Type 3 or Congenital Adrenal Hyperplasia Due to 21-Hydroxylase Deficiency; Apparent Mineralocorticoid Excess Syndrome; Congenital Lipoid Adrenal Hyperplasia (CLAH) or Lipoid CAH; 3-beta-Hydroxysteroid Dehydrogenase Deficiency; Corticosterone Methyl Oxidase I Deficiency (CMO I); 11-beta-Hydroxylase Deficiency (CYP11B1); Steroidogenesis; Adrenal Hyperplasia Type 5 or Congenital Adrenal Hyperplasia Due to 17 alpha-Hydroxylase Deficiency; 17-alpha-Hydroxylase Deficiency (CYP17); Corticosterone Methyl Oxidase II Deficiency (CMO II); 21-Hydroxylase Deficiency (CYP21)	disease; metabolic			46504547					Corticosterone	CHEMBL110739	
DB04653	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide	BE0003346	CAPN1	P07384	CAN1_HUMAN				Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1						46507912						CHEMBL72006	
DB04655	Metoprine	BE0002436	HNMT	P50135	HNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Enzyme Inhibitors; Pyrimidines; Folic Acid Antagonists; Antineoplastic Agents	CC1=C(C(N)=NC(N)=N1)C1=CC(Cl)=C(Cl)C=C1						46504679						CHEMBL264373	
DB04657	Carboxin	BE0000176	SDHA	P31040	SDHA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Experimental	Anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Aniline Compounds; Amines; Fungicides, Industrial; Pesticides; Agrochemicals; Amides; Anilides; Toxic Actions; Oxathiins; Compounds used in a research, industrial, or household setting"	CC1=C(SCCO1)C(=O)NC1=CC=CC=C1						46507275						CHEMBL1231667	
DB04660	Choline alfoscerate	BE0001432	GM2A	P17900	SAP3_HUMAN				Experimental; Investigational	Glycerophosphocholines	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines	Parasympathomimetics; Biological Products; Phosphatidic Acids; Phospholipids; Plant Preparations; Plant Extracts; Sugar Alcohols; Phosphatidylcholines; Carbohydrates; Triose Sugar Alcohols; Lipids; Alcohols; Glycerophospholipids; Nervous System; Lecithins; Glycerophosphates; Membrane Lipids	[H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C						46508680	D07349				Alpha-GPC	CHEMBL1567463	4918
DB04665	Coumarin	BE0003336	CYP2A6	P11509	CP2A6_HUMAN				Experimental	Coumarins and derivatives	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives	"Vitamin K Antagonists; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Edema, drug therapy; Anticoagulants; Pyrans"	O=C1OC2=CC=CC=C2C=C1						46509134		PA134521193			Coumarin	CHEMBL6466	2898
DB04674	"2-HYDROXY-3,5-DIIODOBENZOIC ACID"	BE0000521	EDNRA	P25101	EDNRA_HUMAN		11093786	"Blandin V, Vigne P, Breittmayer JP, Frelin C: Allosteric inhibition of endothelin ETA receptors by 3, 5-dibromosalicylic acid. Mol Pharmacol. 2000 Dec;58(6):1461-9."	Experimental	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C1=C(O)C(I)=CC(I)=C1						46507861						CHEMBL1232243	
DB04677	N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines		[H][C@@](C)(CC1=CC=CC=C1)N(C)CC=C						46507528							
DB04683	"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE"	BE0003359	NR5A1	Q13285	STF1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phosphatidylglycerols	Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols		CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC						46507864							
DB04689	2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID	BE0000215	PPARG	P37231	PPARG_HUMAN				Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones		CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1						46506649						CHEMBL201880	
DB04690	Camptothecin	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	11752352; 18061144; 18056711; 10592235; 2154178	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Teicher BA: Next generation topoisomerase I inhibitors: Rationale and biomarker strategies. Biochem Pharmacol. 2008 Mar 15;75(6):1262-71. Epub 2007 Oct 22.@@van der Merwe M, Bjornsti MA: Mutation of Gly721 alters DNA topoisomerase I active site architecture and sensitivity to camptothecin. J Biol Chem. 2008 Feb 8;283(6):3305-15. Epub 2007 Dec 4.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Mattern MR, Mong S, Mong SM, Bartus JO, Sarau HM, Clark MA, Foley JJ, Crooke ST: Transient activation of topoisomerase I in leukotriene D4 signal transduction in human cells. Biochem J. 1990 Jan 1;265(1):101-7. doi: 10.1042/bj2650101."	Experimental	Camptothecins	Organic compounds; Alkaloids and derivatives; Camptothecins	"BCRP/ABCG2 Substrates; Enzyme Inhibitors; Topoisomerase Inhibitors; Alkaloids; Antineoplastic Agents, Phytogenic; Topoisomerase I Inhibitors; P-glycoprotein substrates; Antineoplastic Agents"	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O						46507644		PA153590860			Camptothecin	CHEMBL65	
DB04695	Farnesyl thiopyrophosphate	BE0004094	MVK	Q03426	KIME_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes	[H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C						46506151							
DB04700	GLUTATHIONE SULFINATE	BE0000808	GSTK1	Q9Y2Q3	GSTK1_HUMAN				Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O						46506088							
DB04701	S-Methyl glutathione	BE0001189	GSTM2	P28161	GSTM2_HUMAN				Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O		gamma-Glutamyltranspeptidase Deficiency; gamma-Glutamyltransferase Deficiency; Glutathione Synthetase Deficiency; Glutathione Metabolism; 5-Oxoprolinase Deficiency; 5-Oxoprolinuria	disease; metabolic			46507560						CHEMBL1233129	
DB04707	Hydroxyfasudil	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Heterocyclic Compounds, Fused-Ring; Piperazines; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides"	O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1						46508609				DNC000754		CHEMBL1233300	
DB04707	Hydroxyfasudil	BE0001016	ROCK1	Q13464	ROCK1_HUMAN	inhibitor	11752352; 10592235	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Heterocyclic Compounds, Fused-Ring; Piperazines; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides"	O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1						46508609				DNC000754		CHEMBL1233300	
DB04716	"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one"	BE0004145	JAK1	P23458	JAK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Pyridines; Heterocyclic Compounds, Fused-Ring"	CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1						46505719						CHEMBL21156	
DB04716	"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one"	BE0003493	JAK3	P52333	JAK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Pyridines; Heterocyclic Compounds, Fused-Ring"	CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1						46505719						CHEMBL21156	
DB04716	"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one"	BE0004146	TYK2	P29597	TYK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Pyridines; Heterocyclic Compounds, Fused-Ring"	CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1						46505719						CHEMBL21156	
DB04716	"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one"	BE0002408	JAK2	O60674	JAK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Pyridines; Heterocyclic Compounds, Fused-Ring"	CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1						46505719						CHEMBL21156	
DB04724	"(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide"	BE0000516	ITGAL	P20701	ITAL_HUMAN				Experimental	Quinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives		CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O						46505747						CHEMBL446435	
DB04727	"1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea"	BE0000369	KDR	P35968	VGFR2_HUMAN				Experimental	"2,3-diphenylfurans"	Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans		COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1						46508012						CHEMBL194911	
DB04738	Motuporin	BE0001447	PPP1CC	P36873	PP1G_HUMAN		16343532	"Maynes JT, Luu HA, Cherney MM, Andersen RJ, Williams D, Holmes CF, James MN: Crystal structures of protein phosphatase-1 bound to motuporin and dihydromicrocystin-LA: elucidation of the mechanism of enzyme inhibition by cyanobacterial toxins. J Mol Biol. 2006 Feb 10;356(1):111-20. Epub 2005 Nov 22."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids, Peptides, and Proteins; Cytotoxins; Peptides"	[H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O						46508386						CHEMBL430145	
DB04751	Purvalanol A	BE0004274	RPS6KA1	Q15418	KS6A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"CDC2 Protein Kinase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C						46506488				DNC001165	CDK_inhibitor	CHEMBL23327	
DB04752	Phosphatidyl ethanol	BE0003359	NR5A1	Q13285	STF1_HUMAN				Experimental				[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OCCO						46504958							
DB04759	"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1						46508426						CHEMBL511942	
DB04760	"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1						46504472						CHEMBL514794	
DB04761	"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1						46507115						CHEMBL468900	
DB04768	Pyrithiamine Pyrophosphate	BE0000157	TPK1	Q9H3S4	TPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic pyrophosphates	Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates		CC1=NC=C(C[N+]2=CC=CC(CCO[P@](O)(=O)OP(O)(O)=O)=C2C)C(N)=N1						46507393							
DB04770	"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL"	BE0000042	PDXK	O00764	PDXK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hypoxanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1						46508756							
DB04776	(2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol	BE0000042	PDXK	O00764	PDXK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-alkylaminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring"	[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC1=CC=CC=C1						46506238						CHEMBL1235702	
DB04786	Suramin	BE0000387	FSHR	P23945	FSHR_HUMAN	antagonist	18991754; 17552360	"McGeary RP, Bennett AJ, Tran QB, Cosgrove KL, Ross BP: Suramin: clinical uses and structure-activity relationships. Mini Rev Med Chem. 2008 Nov;8(13):1384-94.@@Bose CK: Follicle stimulating hormone receptor (FSHR) antagonist and epithelial ovarian cancer (EOC). J Exp Ther Oncol. 2007;6(3):201-4."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sulfur Acids; Anti-Infective Agents; Arylsulfonic Acids; Arylsulfonates; Antiparasitic Products, Insecticides and Repellents; Naphthalenes; Trypanocidal Agents; Antinematodal Agents; Antiprotozoals; Sulfur Compounds; Naphthalenesulfonates; Sulfonic Acids; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents"	CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O						46507013		PA10292		DAP001031	Suramin	CHEMBL265502	10256
DB04786	Suramin	BE0000739	RYR1	P21817	RYR1_HUMAN	agonist	16056233	"Wolner I, Kassack MU, Ullmann H, Karel A, Hohenegger M: Use-dependent inhibition of the skeletal muscle ryanodine receptor by the suramin analogue NF676. Br J Pharmacol. 2005 Oct;146(4):525-33."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sulfur Acids; Anti-Infective Agents; Arylsulfonic Acids; Arylsulfonates; Antiparasitic Products, Insecticides and Repellents; Naphthalenes; Trypanocidal Agents; Antinematodal Agents; Antiprotozoals; Sulfur Compounds; Naphthalenesulfonates; Sulfonic Acids; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents"	CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O						46507013		PA10292		DAP001031	Suramin	CHEMBL265502	10256
DB04786	Suramin	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN	inhibitor	15961104; 10592235	"Murakami MT, Arruda EZ, Melo PA, Martinez AB, Calil-Elias S, Tomaz MA, Lomonte B, Gutierrez JM, Arni RK: Inhibition of myotoxic activity of Bothrops asper myotoxin II by the anti-trypanosomal drug suramin. J Mol Biol. 2005 Jul 15;350(3):416-26.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sulfur Acids; Anti-Infective Agents; Arylsulfonic Acids; Arylsulfonates; Antiparasitic Products, Insecticides and Repellents; Naphthalenes; Trypanocidal Agents; Antinematodal Agents; Antiprotozoals; Sulfur Compounds; Naphthalenesulfonates; Sulfonic Acids; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents"	CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O						46507013		PA10292		DAP001031	Suramin	CHEMBL265502	10256
DB04787	Tanaproget	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	10592235; 15937332	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Zhang Z, Olland AM, Zhu Y, Cohen J, Berrodin T, Chippari S, Appavu C, Li S, Wilhem J, Chopra R, Fensome A, Zhang P, Wrobel J, Unwalla RJ, Lyttle CR, Winneker RC: Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget. J Biol Chem. 2005 Aug 5;280(31):28468-75. Epub 2005 Jun 3."	Investigational	Benzoxazines	Organic compounds; Organoheterocyclic compounds; Benzoxazines	"Heterocyclic Compounds, Fused-Ring; Oxazines; Sulfur Compounds; Receptors, Progesterone, agonists"	CN1C(=CC=C1C1=CC=C2NC(=S)OC(C)(C)C2=C1)C#N						46509047				DPR000116	Tanaproget	CHEMBL539163	
DB04795	Thenoyltrifluoroacetone	BE0000176	SDHA	P31040	SDHA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl alkyl ketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Ketones; Chelating Agents; Thiophenes; Sequestering Agents; Sulfur Compounds; Butanones; Compounds used in a research, industrial, or household setting"	FC(F)(F)C(=O)CC(=O)C1=CC=CS1						46504456					Thenoyltrifluoroacetone	CHEMBL1236433	
DB04796	Inecalcitol	BE0000779	VDR	P11473	VDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Cholestanes; Fused-Ring Compounds; Hydrocarbons, Acyclic; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids"	[H][C@@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)CC#CC(C)(C)O						46504586						CHEMBL2105107	
DB04797	Triazolopyridine	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC=C(F)C=C1						46506220					Triazolopyridine	CHEMBL194322	
DB04798	THIO-ATPA	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Peptides, and Proteins; Sulfur Compounds"	[H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O						46508906						CHEMBL29024	
DB04799	"6-Hydroxy-5-undecyl-4,7-benzothiazoledione"	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl ketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Sulfur Compounds	CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O						46507980							
DB04799	"6-Hydroxy-5-undecyl-4,7-benzothiazoledione"	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl ketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Sulfur Compounds	CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O						46507980							
DB04800	1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN				Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1						46507993							
DB04801	cis-Vaccenic acid	BE0001007	PPARD	Q03181	PPARD_HUMAN				Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Fatty Acids, Monounsaturated; Lipids; Fatty Acids; Fatty Acids, Unsaturated"	CCCCCC\C=C/CCCCCCCCCC(O)=O						46507844						CHEMBL1236642	
DB04803	Verdoheme	BE0000735	HMOX1	P09601	HMOX1_HUMAN				Experimental			"Metalloporphyrins; Heterocyclic Compounds, Fused-Ring; Biological Factors; Porphyrins; Pigments, Biological"	CC1=CC2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6OC7=C(C=C)C(C)=C8C=C1N2[Fe]4(N56)N78)C(C)=C3CCC(O)=O						46506747							
DB04820	Nialamide	BE0002196	MAOB	P27338	AOFB_HUMAN		2506486	"Hovevey-Sion D, Kopin IJ, Stull RW, Goldstein DS: Effects of monoamine oxidase inhibitors on levels of catechols and homovanillic acid in striatum and plasma. Neuropharmacology. 1989 Aug;28(8):791-7."	Approved; Withdrawn	Pyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	"Monoamine Oxidase Inhibitors, Non-Selective; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Enzyme Inhibitors; Isonicotinic Acids; Psychoanaleptics; Nervous System; Agents that produce hypertension; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines"	O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1						46506047					Nialamide	CHEMBL1256841	7394
DB04820	Nialamide	BE0002089	COMT	P21964	COMT_HUMAN		1170911	"Parvez S, Parvez SH, Youdim MB: Variation in activity of monoamine metabolizing enzymes in rat liver during pregnancy. Br J Pharmacol. 1975 Feb;53(2):241-6."	Approved; Withdrawn	Pyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	"Monoamine Oxidase Inhibitors, Non-Selective; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Enzyme Inhibitors; Isonicotinic Acids; Psychoanaleptics; Nervous System; Agents that produce hypertension; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Pyridines"	O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1						46506047					Nialamide	CHEMBL1256841	7394
DB04821	Nomifensine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN		9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Withdrawn	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines	"Heterocyclic Compounds, Fused-Ring; Neurotransmitter Uptake Inhibitors; Central Nervous System Depressants; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Isoquinolines; Dopamine Uptake Inhibitors; Dopamine Agents; Membrane Transport Modulators; Antidepressive Agents"	CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2						46505804				DCL000339	Nomifensine	CHEMBL273575	7500
DB04821	Nomifensine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN		9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Withdrawn	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines	"Heterocyclic Compounds, Fused-Ring; Neurotransmitter Uptake Inhibitors; Central Nervous System Depressants; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Isoquinolines; Dopamine Uptake Inhibitors; Dopamine Agents; Membrane Transport Modulators; Antidepressive Agents"	CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2						46505804				DCL000339	Nomifensine	CHEMBL273575	7500
DB04821	Nomifensine	BE0002196	MAOB	P27338	AOFB_HUMAN		10580379	"Egashira T, Takayama F, Yamanaka Y: The inhibition of monoamine oxidase activity by various antidepressants: differences found in various mammalian species. Jpn J Pharmacol. 1999 Sep;81(1):115-21."	Approved; Withdrawn	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines	"Heterocyclic Compounds, Fused-Ring; Neurotransmitter Uptake Inhibitors; Central Nervous System Depressants; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Isoquinolines; Dopamine Uptake Inhibitors; Dopamine Agents; Membrane Transport Modulators; Antidepressive Agents"	CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2						46505804				DCL000339	Nomifensine	CHEMBL273575	7500
DB04821	Nomifensine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		16272152	"Henry LK, Field JR, Adkins EM, Parnas ML, Vaughan RA, Zou MF, Newman AH, Blakely RD: Tyr-95 and Ile-172 in transmembrane segments 1 and 3 of human serotonin transporters interact to establish high affinity recognition of antidepressants. J Biol Chem. 2006 Jan 27;281(4):2012-23. Epub 2005 Nov 3."	Approved; Withdrawn	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines	"Heterocyclic Compounds, Fused-Ring; Neurotransmitter Uptake Inhibitors; Central Nervous System Depressants; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Isoquinolines; Dopamine Uptake Inhibitors; Dopamine Agents; Membrane Transport Modulators; Antidepressive Agents"	CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2						46505804				DCL000339	Nomifensine	CHEMBL273575	7500
DB04824	Phenolphthalein	BE0003538	UGT1A9	O60656	UD19_HUMAN		16897040	"Uesawa Y, Staines AG, Lockley D, Mohri K, Burchell B: Identification of the human liver UDP-glucuronosyltransferase involved in the metabolism of p-ethoxyphenylurea (dulcin). Arch Toxicol. 2007 Mar;81(3):163-8. Epub 2006 Aug 5."	Approved; Withdrawn	Benzofuranones	Organic compounds; Organoheterocyclic compounds; Benzofurans; Benzofuranones	"Indicators and Reagents; Contact Laxatives; Phenolphthaleins; Laxatives; Phenols; Laboratory Chemicals; Benzene Derivatives; Alimentary Tract and Metabolism; Drugs for Constipation; Compounds used in a research, industrial, or household setting"	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1					2622	46506108	D05456	PA450915			Phenolphthalein	CHEMBL63857	155122
DB04824	Phenolphthalein	BE0000956	NR1I2	O75469	NR1I2_HUMAN		20869355	"Dring AM, Anderson LE, Qamar S, Stoner MA: Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. Chem Biol Interact. 2010 Dec 5;188(3):512-25. doi: 10.1016/j.cbi.2010.09.018. Epub 2010 Oct 20."	Approved; Withdrawn	Benzofuranones	Organic compounds; Organoheterocyclic compounds; Benzofurans; Benzofuranones	"Indicators and Reagents; Contact Laxatives; Phenolphthaleins; Laxatives; Phenols; Laboratory Chemicals; Benzene Derivatives; Alimentary Tract and Metabolism; Drugs for Constipation; Compounds used in a research, industrial, or household setting"	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1					2622	46506108	D05456	PA450915			Phenolphthalein	CHEMBL63857	155122
DB04824	Phenolphthalein	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	3620717	"Ravdin PM, van Beurden M, Jordan VC: Estrogenic effects of phenolphthalein on human breast cancer cells in vitro. Breast Cancer Res Treat. 1987;9(2):151-4."	Approved; Withdrawn	Benzofuranones	Organic compounds; Organoheterocyclic compounds; Benzofurans; Benzofuranones	"Indicators and Reagents; Contact Laxatives; Phenolphthaleins; Laxatives; Phenols; Laboratory Chemicals; Benzene Derivatives; Alimentary Tract and Metabolism; Drugs for Constipation; Compounds used in a research, industrial, or household setting"	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1					2622	46506108	D05456	PA450915			Phenolphthalein	CHEMBL63857	155122
DB04832	Zimelidine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	10580379	"Egashira T, Takayama F, Yamanaka Y: The inhibition of monoamine oxidase activity by various antidepressants: differences found in various mammalian species. Jpn J Pharmacol. 1999 Sep;81(1):115-21."	Approved; Withdrawn	Styrenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Serotonin Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN(C)C\C=C(\C1=CC=C(Br)C=C1)C1=CC=CN=C1						46504589					Zimelidine	CHEMBL37744	
DB04832	Zimelidine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		17139284; 17016423; 9537821; 10598036	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Sugimoto Y, Inoue K, Yamada J: Involvement of serotonin in zimelidine-induced hyperglycemia in mice. Biol Pharm Bull. 1999 Nov;22(11):1240-1."	Approved; Withdrawn	Styrenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Pyridines; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; P-glycoprotein inhibitors; Serotonin Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	CN(C)C\C=C(\C1=CC=C(Br)C=C1)C1=CC=CN=C1						46504589					Zimelidine	CHEMBL37744	
DB04834	Rapacuronium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	12657852	"Jooste E, Klafter F, Hirshman CA, Emala CW: A mechanism for rapacuronium-induced bronchospasm: M2 muscarinic receptor antagonism. Anesthesiology. 2003 Apr;98(4):906-11."	Approved; Withdrawn	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	Fused-Ring Compounds; Anticholinergic Agents; Muscarinic Antagonists; Neuromuscular Agents; Central Nervous System Depressants; Neuromuscular-Blocking Agents (Nondepolarizing); Androstanols; Androstanes; Agents producing tachycardia; Steroids; Peripheral Nervous System Agents; Neuromuscular Blocking Agents	[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1						46506932		PA451227			Rapacuronium	CHEMBL1201352	262100
DB04836	Amineptine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Illicit; Withdrawn			"Antidepressive Agents, Tricyclic; Psychotropic Drugs; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Non-Selective Monoamine Reuptake Inhibitors; Psychoanaleptics; Benzocycloheptenes; Nervous System; Agents that produce hypertension; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Neurotoxic agents"	OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12						46509012	D07335			DCL000340	Amineptine	CHEMBL418995	17698
DB04836	Amineptine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Illicit; Withdrawn			"Antidepressive Agents, Tricyclic; Psychotropic Drugs; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Non-Selective Monoamine Reuptake Inhibitors; Psychoanaleptics; Benzocycloheptenes; Nervous System; Agents that produce hypertension; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Neurotoxic agents"	OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12						46509012	D07335			DCL000340	Amineptine	CHEMBL418995	17698
DB04837	Clofedanol	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 11752352; 2905706	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Maurer H, Pfleger K: Identification and differentiation of alkylamine antihistamines and their metabolites in urine by computerized gas chromatography-mass spectrometry. J Chromatogr. 1988 Aug 19;430(1):31-41."	Approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Amino Alcohols; Antitussive Agents; Amines; Histamine Antagonists; Alcohols; Histamine H1 Antagonists; Cough and Cold Preparations; Propanols	CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl					9523	46505324		PA164748134		DAP001080	Clofedanol	CHEMBL1201313	21254
DB04838	Cyclandelate	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	10659603	Pascual J: [New prospects in the treatment of migraine]. Neurologia. 1999 Dec;14 Suppl 6:26-35.	Approved	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Acids, Carbocyclic; Hydroxy Acids; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Mandelic Acids"	CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1					5200	46505740		PA164748026			Cyclandelate	CHEMBL1480987	2970
DB04839	Cyproterone acetate	BE0008983	KLK3	P07288	KLK3_HUMAN		15308689	"Kang Z, Janne OA, Palvimo JJ: Coregulator recruitment and histone modifications in transcriptional regulation by the androgen receptor. Mol Endocrinol. 2004 Nov;18(11):2633-48. Epub 2004 Aug 12."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Progestins; Contraceptive Agents, Male; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Steroids, Chlorinated; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Fused-Ring Compounds; Reproductive Control Agents; Antiandrogens; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Antiandrogens and Estrogens; Other Miscellaneous Therapeutic Agents; Contraceptive Agents, Female; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H]					7572	46506931	D01368	PA10049		DAP000906	Cyproterone_acetate	CHEMBL139835	22054
DB04840	Debrisoquine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inducer	12401623; 8740147; 5431666; 16126010; 8710929	"Joyce PI, Rizzi D, Calo G, Rowbotham DJ, Lambert DG: The effect of guanethidine and local anesthetics on the electrically stimulated mouse vas deferens. Anesth Analg. 2002 Nov;95(5):1339-43, table of contents.@@Bryan-Lluka LJ, Seers H, Sharpe I: Amezinium and debrisoquine are substrates of uptake1 and potent inhibitors of monoamine oxidase in perfused lungs of rats. Naunyn Schmiedebergs Arch Pharmacol. 1996 Apr;353(5):536-44.@@Mitchell JR, Cavanaugh JH, Arias L, Oates JA: Guanethidine and related agents. 3. Antagonism by drugs which inhibit the norepinephrine pump in man. J Clin Invest. 1970 Aug;49(8):1596-604.@@Yi E, Love JA: Alpha-adrenergic modulation of synaptic transmission in rabbit pancreatic ganglia. Auton Neurosci. 2005 Oct 30;122(1-2):45-57. Epub 2005 Aug 25.@@Galli A, Blakely RD, DeFelice LJ: Norepinephrine transporters have channel modes of conduction. Proc Natl Acad Sci U S A. 1996 Aug 6;93(16):8671-6."	Approved; Investigational	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"Cardiovascular Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Guanidine Derivatives; Cytochrome P-450 Substrates; Sympatholytics; Antihypertensive Agents; Antiadrenergic Agents, Peripherally Acting; Neurotransmitter Agents; Catecholamines; Isoquinolines; Adrenergic Agents; P-glycoprotein substrates; Peripheral Nervous System Agents; Autonomic Agents"	NC(=N)N1CCC2=CC=CC=C2C1						46507664		PA452616		DAP000125	Debrisoquine	CHEMBL169901	3118
DB04841	Flunarizine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	17139284; 17016423; 19582593; 11784784	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Uebele VN, Nuss CE, Fox SV, Garson SL, Cristescu R, Doran SM, Kraus RL, Santarelli VP, Li Y, Barrow JC, Yang ZQ, Schlegel KA, Rittle KE, Reger TS, Bednar RA, Lemaire W, Mullen FA, Ballard JE, Tang C, Dai G, McManus OB, Koblan KS, Renger JJ: Positive allosteric interaction of structurally diverse T-type calcium channel antagonists. Cell Biochem Biophys. 2009;55(2):81-93. doi: 10.1007/s12013-009-9057-4. Epub 2009 Jul 7.@@Santi CM, Cayabyab FS, Sutton KG, McRory JE, Mezeyova J, Hamming KS, Parker D, Stea A, Snutch TP: Differential inhibition of T-type calcium channels by neuroleptics. J Neurosci. 2002 Jan 15;22(2):396-403."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1		Flunarizine H1-Antihistamine Action	drug_action		1252	46507129	D01303	PA164776636		DAP000142	Flunarizine	CHEMBL30008	4459
DB04841	Flunarizine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	17139284; 17016423; 19582593; 11784784	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Uebele VN, Nuss CE, Fox SV, Garson SL, Cristescu R, Doran SM, Kraus RL, Santarelli VP, Li Y, Barrow JC, Yang ZQ, Schlegel KA, Rittle KE, Reger TS, Bednar RA, Lemaire W, Mullen FA, Ballard JE, Tang C, Dai G, McManus OB, Koblan KS, Renger JJ: Positive allosteric interaction of structurally diverse T-type calcium channel antagonists. Cell Biochem Biophys. 2009;55(2):81-93. doi: 10.1007/s12013-009-9057-4. Epub 2009 Jul 7.@@Santi CM, Cayabyab FS, Sutton KG, McRory JE, Mezeyova J, Hamming KS, Parker D, Stea A, Snutch TP: Differential inhibition of T-type calcium channels by neuroleptics. J Neurosci. 2002 Jan 15;22(2):396-403."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1		Flunarizine H1-Antihistamine Action	drug_action		1252	46507129	D01303	PA164776636		DAP000142	Flunarizine	CHEMBL30008	4459
DB04841	Flunarizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17139284; 17016423; 20493137	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Taylor JE, Defeudis FV: Interactions of verapamil, D 600, flunarizine and nifedipine with cerebral histamine-receptors. Neurochem Int. 1986;9(3):379-81."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Antimigraine Agents, Miscellaneous; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Piperazine Derivatives; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Nervous System; Histamine Agents; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1		Flunarizine H1-Antihistamine Action	drug_action		1252	46507129	D01303	PA164776636		DAP000142	Flunarizine	CHEMBL30008	4459
DB04842	Fluspirilene	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17139284; 17016423; 11752352; 11842444; 8935801	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Wang SJ: Inhibition of glutamate release by fluspirilene in cerebrocortical nerve terminals (synaptosomes). Synapse. 2002 Apr;44(1):36-41.@@Schotte A, Janssen PF, Gommeren W, Luyten WH, Van Gompel P, Lesage AS, De Loore K, Leysen JE: Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding. Psychopharmacology (Berl). 1996 Mar;124(1-2):57-73."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Serotonin 5-HT2A Receptor Antagonists; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Imidazoles; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Antiarrhythmic agents; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Dopamine Agents	FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1					2260	46508202	D02629	PA162565878		DAP000980	Fluspirilene	CHEMBL46516	4507
DB04842	Fluspirilene	BE0000679	CACNG1	Q06432	CCG1_HUMAN	inhibitor	1696149; 11842444	"Kenny BA, Fraser S, Kilpatrick AT, Spedding M: Selective antagonism of calcium channel activators by fluspirilene. Br J Pharmacol. 1990 Jun;100(2):211-6.@@Wang SJ: Inhibition of glutamate release by fluspirilene in cerebrocortical nerve terminals (synaptosomes). Synapse. 2002 Apr;44(1):36-41."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Serotonin 5-HT2A Receptor Antagonists; Diphenylbutylpiperidine Derivatives; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Imidazoles; Dopamine Antagonists; Spiro Compounds; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Antiarrhythmic agents; Piperidines; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Dopamine Agents	FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1					2260	46508202	D02629	PA162565878		DAP000980	Fluspirilene	CHEMBL46516	4507
DB04843	Mepenzolate	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	7623487; 2791613; 7122991	"Tsai CS, Guede-Guina F, Smith MO, Vangah-Manda M, Ochillo RF: Isolation of cholinergic active ingredients in aqueous extracts of Mareya micrantha using the longitudinal muscle of isolated guinea-pig ileum as a pharmacological activity marker. J Ethnopharmacol. 1995 Mar;45(3):215-22.@@Tsai CS, Ochillo RF: Low temperature and muscarinic receptor activities. Cryobiology. 1989 Oct;26(5):485-95.@@Ochillo RF, Pugh DA: Atropine and mepenzolate mydriasis in rabbits: a comparative pupillographic analysis of two antimuscarinic agents. Res Commun Chem Pathol Pharmacol. 1982 Jun;36(3):503-6."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Anticholinergic Agents; Muscarinic Antagonists; Diphenylacetic Acids; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Phenylacetates; Drugs for Functional Gastrointestinal Disorders; Hydroxy Acids; Acids, Carbocyclic; Agents producing tachycardia; Alimentary Tract and Metabolism"	C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1						46508905		PA164746250		DAP001115	Mepenzolate	CHEMBL524004	107770
DB04844	Tetrabenazine	BE0000756	DRD2	P14416	DRD2_HUMAN	inhibitor			Approved; Investigational	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"Vesicular Monoamine Transporter 2 Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Cytochrome P-450 Substrates; Highest Risk QTc-Prolonging Agents; Neurotransmitter Agents; Vesicular Monoamine Transporter 2 Inhibitors; Nervous System; Neurotransmitter Uptake Inhibitors; Adrenergic Agents; Quinolizines; Membrane Transport Modulators; Miscellaneous Central Nervous System Agents"	COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1					109	46506426	D08575	PA140222719		DAP000756	Tetrabenazine	CHEMBL117785	10390
DB04847	Roxadustat	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN	inhibitor	30805897	Dhillon S: Roxadustat: First Global Approval. Drugs. 2019 Apr;79(5):563-572. doi: 10.1007/s40265-019-01077-1.	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; Amino Acids; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Antianemic Preparations; Cytochrome P-450 Substrates; OAT3/SLC22A8 Substrates; Blood and Blood Forming Organs; UGT1A9 Substrates; OAT1/SLC22A6 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates"	CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2						347827699	D10593				Roxadustat	CHEMBL2338329	
DB04847	Roxadustat	BE0002219	EGLN3	Q9H6Z9	EGLN3_HUMAN	inhibitor	30805897	Dhillon S: Roxadustat: First Global Approval. Drugs. 2019 Apr;79(5):563-572. doi: 10.1007/s40265-019-01077-1.	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; Amino Acids; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Antianemic Preparations; Cytochrome P-450 Substrates; OAT3/SLC22A8 Substrates; Blood and Blood Forming Organs; UGT1A9 Substrates; OAT1/SLC22A6 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates"	CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2						347827699	D10593				Roxadustat	CHEMBL2338329	
DB04849	Cediranib	BE0000369	KDR	P35968	VGFR2_HUMAN		15899831	"Wedge SR, Kendrew J, Hennequin LF, Valentine PJ, Barry ST, Brave SR, Smith NR, James NH, Dukes M, Curwen JO, Chester R, Jackson JA, Boffey SJ, Kilburn LL, Barnett S, Richmond GH, Wadsworth PF, Walker M, Bigley AL, Taylor ST, Cooper L, Beck S, Jurgensmeier JM, Ogilvie DJ: AZD2171: a highly potent, orally bioavailable, vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor for the treatment of cancer. Cancer Res. 2005 May 15;65(10):4389-400."	Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1						175426860					AZD2171	CHEMBL491473	
DB04851	Biricodar	BE0002369	ABCB5	Q2M3G0	ABCB5_HUMAN		15014037	"Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34."	Investigational			P-glycoprotein inhibitors	COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1						175426862	D03128	PA164924560			Biricodar	CHEMBL350775	
DB04851	Biricodar	BE0000785	ABCC1	P33527	MRP1_HUMAN		15014037	"Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34."	Investigational			P-glycoprotein inhibitors	COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1						175426862	D03128	PA164924560			Biricodar	CHEMBL350775	
DB04851	Biricodar	BE0001067	ABCG2	Q9UNQ0	ABCG2_HUMAN		15014037	"Minderman H, O'Loughlin KL, Pendyala L, Baer MR: VX-710 (biricodar) increases drug retention and enhances chemosensitivity in resistant cells overexpressing P-glycoprotein, multidrug resistance protein, and breast cancer resistance protein. Clin Cancer Res. 2004 Mar 1;10(5):1826-34."	Investigational			P-glycoprotein inhibitors	COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1						175426862	D03128	PA164924560			Biricodar	CHEMBL350775	
DB04852	Implitapide	BE0000232	MTTP	P55157	MTP_HUMAN		15684478	"Ueshima K, Akihisa-Umeno H, Nagayoshi A, Takakura S, Matsuo M, Mutoh S: Implitapide, a microsomal triglyceride transfer protein inhibitor, reduces progression of atherosclerosis in apolipoprotein E knockout mice fed a Western-type diet: involvement of the inhibition of postprandial triglyceride elevation. Biol Pharm Bull. 2005 Feb;28(2):247-52."	Investigational	Alpha carbolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles	"Heterocyclic Compounds, Fused-Ring"	CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1						175426863						CHEMBL2105804	
DB04854	Febuxostat	BE0002204	XDH	P47989	XDH_HUMAN	inhibitor	23286293; 25501928; 16958189; 19337428	"Saban-Ruiz J, Alonso-Pacho A, Fabregate-Fuente M, de la Puerta Gonzalez-Quevedo C: Xanthine oxidase inhibitor febuxostat as a novel agent postulated to act against vascular inflammation. Antiinflamm Antiallergy Agents Med Chem. 2013;12(1):94-9.@@Nishino T, Okamoto K: Mechanistic insights into xanthine oxidoreductase from development studies of candidate drugs to treat hyperuricemia and gout. J Biol Inorg Chem. 2015 Mar;20(2):195-207. doi: 10.1007/s00775-014-1210-x. Epub 2014 Dec 12.@@Pohar S, Murphy G: Febuxostat for prevention of gout attacks. Issues Emerg Health Technol. 2006 Aug;(87):1-4.@@Hu M, Tomlinson B: Febuxostat in the management of hyperuricemia and chronic gout: a review. Ther Clin Risk Manag. 2008 Dec;4(6):1209-20. doi: 10.2147/tcrm.s3310."	Approved	Thiazolecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles	UGT2B7 substrates; Cytochrome P-450 CYP2C8 Substrates; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Xanthine Oxidase Inhibitors; Photosensitizing Agents; Musculo-Skeletal System; UGT1A3 substrates; Drugs causing inadvertant photosensitivity; Antigout Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Preparations Inhibiting Uric Acid Production; UGT1A1 Substrates; Sulfur Compounds; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates	CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N					13271	310264854	D01206	PA165958521			Febuxostat	CHEMBL1164729	73689
DB04855	Dronedarone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17389667; 23997577	"Dale KM, White CM: Dronedarone: an amiodarone analog for the treatment of atrial fibrillation and atrial flutter. Ann Pharmacother. 2007 Apr;41(4):599-605. Epub 2007 Mar 27.@@Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17389667	"Dale KM, White CM: Dronedarone: an amiodarone analog for the treatment of atrial fibrillation and atrial flutter. Ann Pharmacother. 2007 Apr;41(4):599-605. Epub 2007 Mar 27."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0002357	CACNA1F	O60840	CAC1F_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0002356	CACNB4	O00305	CACB4_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000210	KCNK2	O95069	KCNK2_HUMAN	inhibitor	22790794; 23997577	"Schmidt C, Wiedmann F, Schweizer PA, Becker R, Katus HA, Thomas D: Novel electrophysiological properties of dronedarone: inhibition of human cardiac two-pore-domain potassium (K2P) channels. Naunyn Schmiedebergs Arch Pharmacol. 2012 Oct;385(10):1003-16. doi: 10.1007/s00210-012-0780-9. Epub 2012 Jul 13.@@Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	23997577; 12890054	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013.@@Lalevee N, Nargeot J, Barrere-Lemaire S, Gautier P, Richard S: Effects of amiodarone and dronedarone on voltage-dependent sodium current in human cardiomyocytes. J Cardiovasc Electrophysiol. 2003 Aug;14(8):885-90."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000672	KCNQ1	P51787	KCNQ1_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0000986	SLC8A1	P32418	NAC1_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04855	Dronedarone	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04857	Brasofensine	BE0000756	DRD2	P14416	DRD2_HUMAN		17908924	"Zhu M, Whigan DB, Chang SY, Dockens RC: Disposition and metabolism of [14C]brasofensine in rats, monkeys, and humans. Drug Metab Dispos. 2008 Jan;36(1):24-35. Epub 2007 Oct 1."	Investigational	Phenyltropanes	Organic compounds; Alkaloids and derivatives; Tropane alkaloids; Phenyltropanes	"Amines; Hydroxylamines; Heterocyclic Compounds, Fused-Ring"	[H][C@@]12CC[C@@]([H])(N1C)[C@]([H])(\C=N\OC)[C@H](C2)C1=CC(Cl)=C(Cl)C=C1						175426867	D03153				Brasofensine	CHEMBL2104184	
DB04860	Isatoribine	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN		16116638	"Horsmans Y, Berg T, Desager JP, Mueller T, Schott E, Fletcher SP, Steffy KR, Bauman LA, Kerr BM, Averett DR: Isatoribine, an agonist of TLR7, reduces plasma virus concentration in chronic hepatitis C infection. Hepatology. 2005 Sep;42(3):724-31."	Investigational	Glycosylamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Nucleic Acids, Nucleotides, and Nucleosides"	NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)S2						175426870						CHEMBL2105116	
DB04866	Halofuginone	BE0000642	MMP2	P08253	MMP2_HUMAN		11099465	"Elkin M, Miao HQ, Nagler A, Aingorn E, Reich R, Hemo I, Dou HL, Pines M, Vlodavsky I: Halofuginone: a potent inhibitor of critical steps in angiogenesis progression. FASEB J. 2000 Dec;14(15):2477-85."	Investigational; Vet_approved	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Growth Inhibitors; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Angiogenesis Modulating Agents; Growth Substances; Protein Synthesis Inhibitors; Angiogenesis Inhibitors; Coccidiostats; Antiprotozoals; Quinazolines; Antiparasitic Agents; Antineoplastic Agents"	[H][C@]1(O)CCCN[C@]1([H])CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O					1917	175426875	D04413				Halofuginone	CHEMBL1199540	
DB04868	Nilotinib	BE0000453	KIT	P10721	KIT_HUMAN	antagonist	17699867	"Guo T, Agaram NP, Wong GC, Hom G, D'Adamo D, Maki RG, Schwartz GK, Veach D, Clarkson BD, Singer S, DeMatteo RP, Besmer P, Antonescu CR: Sorafenib inhibits the imatinib-resistant KITT670I gatekeeper mutation in gastrointestinal stromal tumor. Clin Cancer Res. 2007 Aug 15;13(16):4874-81."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs	CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F		Nilotinib Inhibition of BCR-ABL	drug_action		20378	99443226	D08953	PA165958345			Nilotinib	CHEMBL255863	662281
DB04869	Olcegepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN	antagonist	28165287; 34015169	"Walker CS, Raddant AC, Woolley MJ, Russo AF, Hay DL: CGRP receptor antagonist activity of olcegepant depends on the signalling pathway measured. Cephalalgia. 2017 Jan 1:333102417691762. doi: 10.1177/0333102417691762.@@Liu J, Liu L, Zhao M, Ding N, Ge N, Daugherty SL, Beckel JM, Wang S, Zhang X: Activation of TRPM8 channel inhibits contraction of the isolated human ureter. Neurourol Urodyn. 2021 Aug;40(6):1450-1459. doi: 10.1002/nau.24689. Epub 2021 May 20."	Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Calcitonin Gene-Related Peptide Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides; Receptors, Calcitonin Gene-Related Peptide, antagonists & inhibitors; Peripheral Nervous System Agents; Analgesics"	NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1						175426877					Olcegepant	CHEMBL207197	
DB04871	Lorcaserin	BE0000533	HTR2C	P28335	5HT2C_HUMAN		16625817; 16259227	Halford JC: Obesity drugs in clinical development. Curr Opin Investig Drugs. 2006 Apr;7(4):312-8.@@Jandacek RJ: APD-356 (Arena). Curr Opin Investig Drugs. 2005 Oct;6(10):1051-6.	Approved; Withdrawn	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Centrally Acting Antiobesity Products; Serotonin 5-HT2C Receptor Agonists; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2A6 Substrates; Antiobesity Preparations, Excl. Diet Products; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Serotonin 2c Receptor Agonists; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP1A2 Substrates"	C[C@H]1CNCCC2=CC=C(Cl)C=C12						310264855	D06613				Lorcaserin	CHEMBL360328	1300701
DB04872	Osanetant	BE0002371	TACR3	P29371	NK3R_HUMAN		17172464	"Tian G, Wilkins D, Scott CW: Neurokinin-3 receptor-specific antagonists talnetant and osanetant show distinct mode of action in cellular Ca2+ mobilization but display similar binding kinetics and identical mechanism of binding in ligand cross-competition. Mol Pharmacol. 2007 Mar;71(3):902-11. Epub 2006 Dec 15."	Investigational	1-benzoylpiperidines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives	Antipsychotic Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Neurotoxic agents	CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1						175426879					Osanetant	CHEMBL346178	
DB04873	Piboserod	BE0000084	HTR4	Q13639	5HT4R_HUMAN		15902472; 16495076	"Darblade B, Behr-Roussel D, Gorny D, Lebret T, Benoit G, Hieble JP, Brooks D, Alexandre L, Giuliano F: Piboserod (SB 207266), a selective 5-HT4 receptor antagonist, reduces serotonin potentiation of neurally-mediated contractile responses of human detrusor muscle. World J Urol. 2005 Jun;23(2):147-51. Epub 2005 May 18.@@McCullough JL, Armstrong SR, Hegde SS, Beattie DT: The 5-HT2B antagonist and 5-HT4 agonist activities of tegaserod in the anaesthetized rat. Pharmacol Res. 2006 Apr;53(4):353-8. Epub 2006 Feb 21."	Investigational	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Heterocyclic Compounds, Fused-Ring"	CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1						175426880					Piboserod	CHEMBL356359	
DB04877	Voacamine	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	16273216; 14612920	"Meschini S, Marra M, Condello M, Calcabrini A, Federici E, Dupuis ML, Cianfriglia M, Arancia G: Voacamine, an alkaloid extracted from Peschiera fuchsiaefolia, inhibits P-glycoprotein action in multidrug-resistant tumor cells. Int J Oncol. 2005 Dec;27(6):1597-603.@@Meschini S, Marra M, Calcabrini A, Federici E, Galeffi C, Arancia G: Voacamine, a bisindolic alkaloid from Peschiera fuchsiaefolia, enhances the cytotoxic effect of doxorubicin on multidrug-resistant tumor cells. Int J Oncol. 2003 Dec;23(6):1505-13."	Experimental	Ibogan-type alkaloids	Organic compounds; Alkaloids and derivatives; Ibogan-type alkaloids	"P-glycoprotein inhibitors; Secologanin Tryptamine Alkaloids; Heterocyclic Compounds, Fused-Ring; Indolizidines; Indole Alkaloids; Alkaloids; Indolizines; Indoles"	[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC						99443228		PA165958347			Voacamine	CHEMBL445022	
DB04878	Voglibose	BE0000837	MGAM	O43451	MGA_HUMAN	inhibitor	16713439; 11752352; 19568704; 20025554; 20351564; 19281809	"Satoh N, Shimatsu A, Yamada K, Aizawa-Abe M, Suganami T, Kuzuya H, Ogawa Y: An alpha-glucosidase inhibitor, voglibose, reduces oxidative stress markers and soluble intercellular adhesion molecule 1 in obese type 2 diabetic patients. Metabolism. 2006 Jun;55(6):786-93.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Matsumura M, Monden T, Miyashita Y, Kawagoe Y, Shimizu H, Nakatani Y, Domeki N, Yanagi K, Ikeda S, Kasai K: Effects of changeover from voglibose to acarbose on postprandial triglycerides in type 2 diabetes mellitus patients. Adv Ther. 2009 Jun;26(6):660-6. doi: 10.1007/s12325-009-0040-7. Epub 2009 Jun 30.@@Abe M, Okada K, Maruyama T, Maruyama N, Matsumoto K: Combination therapy with mitiglinide and voglibose improves glycemic control in type 2 diabetic patients on hemodialysis. Expert Opin Pharmacother. 2010 Feb;11(2):169-76. doi: 10.1517/14656560903530683.@@Iwasa M, Kobayashi H, Yasuda S, Kawamura I, Sumi S, Yamada Y, Shiraki T, Yamaki T, Ushikoshi H, Aoyama T, Nishigaki K, Takemura G, Fujiwara T, Fujiwara H, Minatoguchi S: Antidiabetic drug voglibose is protective against ischemia-reperfusion injury through glucagon-like peptide 1 receptors and the phosphoinositide 3-kinase-Akt-endothelial nitric oxide synthase pathway in rabbits. J Cardiovasc Pharmacol. 2010 Jun;55(6):625-34. doi: 10.1097/FJC.0b013e3181dcd240.@@Fujimori Y, Katsuno K, Ojima K, Nakashima I, Nakano S, Ishikawa-Takemura Y, Kusama H, Isaji M: Sergliflozin etabonate, a selective SGLT2 inhibitor, improves glycemic control in streptozotocin-induced diabetic rats and Zucker fatty rats. Eur J Pharmacol. 2009 May 1;609(1-3):148-54. doi: 10.1016/j.ejphar.2009.03.007. Epub 2009 Mar 10."	Investigational	Aminocyclitols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Drugs Used in Diabetes; Sugar Alcohols; Glycoside Hydrolase Inhibitors; Fatty Alcohols; Cycloparaffins; Oral Hypoglycemics; Enzyme Inhibitors; Hexanols; Carbohydrates; Lipids; Alcohols; Cyclohexanes; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism	OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O						46504462	D01665	PA164752433		DAP001104	Voglibose	CHEMBL476960	
DB04879	Vatalanib	BE0000029	FLT1	P17948	VGFR1_HUMAN		17584317	"Yamamoto A, Watanabe H, Sueki H, Nakanishi T, Yasuhara H, Iijima M: Vascular endothelial growth factor receptor tyrosine kinase inhibitor PTK787/ZK 222584 inhibits both the induction and elicitation phases of contact hypersensitivity. J Dermatol. 2007 Jul;34(7):419-29."	Investigational	Phthalazines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	Pyridazines; Enzyme Inhibitors; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1		Vatalanib Action Pathway	drug_action			175426883		PA7001			Vatalanib	CHEMBL101253	
DB04879	Vatalanib	BE0000369	KDR	P35968	VGFR2_HUMAN		17584317	"Yamamoto A, Watanabe H, Sueki H, Nakanishi T, Yasuhara H, Iijima M: Vascular endothelial growth factor receptor tyrosine kinase inhibitor PTK787/ZK 222584 inhibits both the induction and elicitation phases of contact hypersensitivity. J Dermatol. 2007 Jul;34(7):419-29."	Investigational	Phthalazines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	Pyridazines; Enzyme Inhibitors; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1		Vatalanib Action Pathway	drug_action			175426883		PA7001			Vatalanib	CHEMBL101253	
DB04879	Vatalanib	BE0000023	FLT4	P35916	VGFR3_HUMAN		17584317	"Yamamoto A, Watanabe H, Sueki H, Nakanishi T, Yasuhara H, Iijima M: Vascular endothelial growth factor receptor tyrosine kinase inhibitor PTK787/ZK 222584 inhibits both the induction and elicitation phases of contact hypersensitivity. J Dermatol. 2007 Jul;34(7):419-29."	Investigational	Phthalazines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	Pyridazines; Enzyme Inhibitors; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors	ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1		Vatalanib Action Pathway	drug_action			175426883		PA7001			Vatalanib	CHEMBL101253	
DB04880	Enoximone	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	17714066; 16987374	"Boldt J, Suttner S: Combined use of ultra-short acting beta-blocker esmolol and intravenous phosphodiesterase 3 inhibitor enoximone. Expert Opin Pharmacother. 2007 Sep;8(13):2135-47.@@Sandroni C, Cavallaro F, Caricato A, Scapigliati A, Fenici P, Antonelli M: Enoximone in cardiac arrest caused by propranolol: two case reports. Acta Anaesthesiol Scand. 2006 Jul;50(6):759-61."	Approved; Investigational	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cardiovascular Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Phosphodiesterase 3 Inhibitors; Cardiac Therapy; Enzyme Inhibitors; Vasodilating Agents; Photosensitizing Agents; Drugs causing inadvertant photosensitivity; Imidazoles; Compounds used in a research, industrial, or household setting; Protective Agents; Phosphodiesterase Inhibitors; Cardiotonic Agents"	CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1						46505575	D04004	PA164768794		DAP000611	Enoximone	CHEMBL249856	49626
DB04881	Elacridar	BE0001032	ABCB1	P08183	MDR1_HUMAN		17932689	"Hubensack M, Muller C, Hocherl P, Fellner S, Spruss T, Bernhardt G, Buschauer A: Effect of the ABCB1 modulators elacridar and tariquidar on the distribution of paclitaxel in nude mice. J Cancer Res Clin Oncol. 2008 May;134(5):597-607. Epub 2007 Oct 12."	Investigational	Acridones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Benzocycloheptenes; Isoquinolines; Drug Resistance, Multiple"	COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O						175426884	D03968					CHEMBL396298	
DB04882	Edotecarin	BE0000971	TOP1	P11387	TOP1_HUMAN		17325867; 15929804	"Carvajal RD, Ilson DH, Noy A: Possible role of edotecarin, a novel topoisomerase I inhibitor, in therapy-related myelodysplastic syndrome. Leuk Lymphoma. 2007 Jan;48(1):192-4.@@Saif MW, Diasio RB: Edotecarin: a novel topoisomerase I inhibitor. Clin Colorectal Cancer. 2005 May;5(1):27-36."	Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Indoles; Heterocyclic Compounds, Fused-Ring"	OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O						175426885	D03954					CHEMBL435191	
DB04883	Darusentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN		17890870; 17049116	"Orth SR, Schiele G, Banas B, Ritz E, Amann K: Effect of a selective endothelin receptor A blocker on cardiovascular remodeling in uninephrectomized spontaneously hypertensive rats of the stroke-prone strain. Kidney Blood Press Res. 2007;30(6):400-7. Epub 2007 Sep 20.@@Xia QG, Reinecke A, Dorenkamp M, Daemen MJ, Simon R, Unger T: Effects of endothelin ETA receptor blocker LU 135252 on cardiac remodeling and survival in a hypertensive rat model of chronic heart failure. Acta Pharmacol Sin. 2006 Nov;27(11):1417-22."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Endothelin Receptor Antagonists; Acids, Carbocyclic"	COC1=CC(OC)=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C2=CC=CC=C2)=N1						175426886					Darusentan	CHEMBL23261	
DB04884	Dapoxetine	BE0000533	HTR2C	P28335	5HT2C_HUMAN		17624269	"Wang WF, Chang L, Minhas S, Ralph DJ: Selective serotonin reuptake inhibitors in the treatment of premature ejaculation. Chin Med J (Engl). 2007 Jun 5;120(11):1000-6."	Investigational	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Benzyl Compounds; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Hypoglycemia-Associated Agents	CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1						175426887	D03649	PA166151992			Dapoxetine	CHEMBL2110900	
DB04888	Bifeprunox	BE0000756	DRD2	P14416	DRD2_HUMAN		17393144; 17659474	"Auclair AL, Galinier A, Besnard J, Newman-Tancredi A, Depoortere R: Putative antipsychotics with pronounced agonism at serotonin 5-HT1A and partial agonist activity at dopamine D2 receptors disrupt basal PPI of the startle reflex in rats. Psychopharmacology (Berl). 2007 Jul;193(1):45-54. Epub 2007 Mar 29.@@Newman-Tancredi A, Cussac D, Depoortere R: Neuropharmacological profile of bifeprunox: merits and limitations in comparison with other third-generation antipsychotics. Curr Opin Investig Drugs. 2007 Jul;8(7):539-54."	Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	"Antipsychotic Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Neurotoxic agents"	O=C1NC2=C(O1)C(=CC=C2)N1CCN(CC2=CC(=CC=C2)C2=CC=CC=C2)CC1						175426891					Bifeprunox	CHEMBL218166	
DB04889	Bicifadine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN		17325229	"Basile AS, Janowsky A, Golembiowska K, Kowalska M, Tam E, Benveniste M, Popik P, Nikiforuk A, Krawczyk M, Nowak G, Krieter PA, Lippa AS, Skolnick P, Koustova E: Characterization of the antinociceptive actions of bicifadine in models of acute, persistent, and chronic pain. J Pharmacol Exp Ther. 2007 Jun;321(3):1208-25. Epub 2007 Feb 26."	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP1A2 Substrates; Analgesics	CC1=CC=C(C=C1)C12CC1CNC2						175426892	D03110				Bicifadine	CHEMBL511099	
DB04889	Bicifadine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		17325229	"Basile AS, Janowsky A, Golembiowska K, Kowalska M, Tam E, Benveniste M, Popik P, Nikiforuk A, Krawczyk M, Nowak G, Krieter PA, Lippa AS, Skolnick P, Koustova E: Characterization of the antinociceptive actions of bicifadine in models of acute, persistent, and chronic pain. J Pharmacol Exp Ther. 2007 Jun;321(3):1208-25. Epub 2007 Feb 26."	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP1A2 Substrates; Analgesics	CC1=CC=C(C=C1)C12CC1CNC2						175426892	D03110				Bicifadine	CHEMBL511099	
DB04889	Bicifadine	BE0000756	DRD2	P14416	DRD2_HUMAN		17325229	"Basile AS, Janowsky A, Golembiowska K, Kowalska M, Tam E, Benveniste M, Popik P, Nikiforuk A, Krawczyk M, Nowak G, Krieter PA, Lippa AS, Skolnick P, Koustova E: Characterization of the antinociceptive actions of bicifadine in models of acute, persistent, and chronic pain. J Pharmacol Exp Ther. 2007 Jun;321(3):1208-25. Epub 2007 Feb 26."	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Monoamine Oxidase A Substrates; Cytochrome P-450 CYP1A2 Substrates; Analgesics	CC1=CC=C(C=C1)C12CC1CNC2						175426892	D03110				Bicifadine	CHEMBL511099	
DB04890	Bepotastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	16914135; 11752352	"Andoh T, Kuraishi Y: Suppression by bepotastine besilate of substance P-induced itch-associated responses through the inhibition of the leukotriene B4 action in mice. Eur J Pharmacol. 2006 Oct 10;547(1-3):59-64. Epub 2006 Jul 25.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers	Anti-Allergic Agents; Histamine Antagonists; Histamine H1 Antagonists; Drugs that are Mainly Renally Excreted; Mast Cell Stabilizers	OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1		Bepotastine H1-Antihistamine Action	drug_action		22757	46504940	D01654	PA164781356		DCL000719	Bepotastine	CHEMBL1201758	863035
DB04891	Becocalcidiol	BE0004382	MED1	Q15648	MED1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids	CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1						175426893						CHEMBL2104955	
DB04891	Becocalcidiol	BE0000779	VDR	P11473	VDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids	CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1						175426893						CHEMBL2104955	
DB04892	Phenserine	BE0002180	BCHE	P06276	CHLE_HUMAN	inhibitor	15620572	"Janas AM, Cunningham SC, Duffy KB, Devan BD, Greig NH, Holloway HW, Yu QS, Markowska AL, Ingram DK, Spangler EL: The cholinesterase inhibitor, phenserine, improves Morris water maze performance of scopolamine-treated rats. Life Sci. 2005 Jan 21;76(10):1073-81."	Investigational	Pyrroloindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles	"Stereoisomerism; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbamates; Alkaloids; Cholinesterase Inhibitors; Neurotransmitter Agents; Phenylcarbamates; Acids, Acyclic; Indolizines; Cholinergic Agents; Indoles"	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C						175426894						CHEMBL74926	
DB04892	Phenserine	BE0003392	APP	P05067	A4_HUMAN		15681799	"Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48."	Investigational	Pyrroloindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles	"Stereoisomerism; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Indolizidines; Indole Alkaloids; Carbamates; Alkaloids; Cholinesterase Inhibitors; Neurotransmitter Agents; Phenylcarbamates; Acids, Acyclic; Indolizines; Cholinergic Agents; Indoles"	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C						175426894						CHEMBL74926	
DB04893	AZD3409	BE0002372	FNTB	P49356	FNTB_HUMAN		16113095	Wakeling AE: Inhibitors of growth factor signalling. Endocr Relat Cancer. 2005 Jul;12 Suppl 1:S183-7.	Investigational										347909841							
DB04893	AZD3409	BE0002373	FNTA	P49354	FNTA_HUMAN		16113095	Wakeling AE: Inhibitors of growth factor signalling. Endocr Relat Cancer. 2005 Jul;12 Suppl 1:S183-7.	Investigational										347909841							
DB04894	Vapreotide	BE0003528	SSTR2	P30874	SSR2_HUMAN	inducer	19708854	"Fortune BE, Jackson J, Leonard J, Trotter JF: Vapreotide: a somatostatin analog for the treatment of acute variceal bleeding. Expert Opin Pharmacother. 2009 Oct;10(14):2337-42. doi: 10.1517/14656560903207019."	Experimental; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Hormones; Neuropeptides; Peptides; Pancreatic Hormones; Peripheral Nervous System Agents; Analgesics; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Central Nervous System Agents; Hypothalamic Hormones; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)[C@H](N)CC1=CC=CC=C1						46506923	D06281	PA164743146		DAP001242	Vapreotide	CHEMBL3349523	
DB04894	Vapreotide	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	7556407; 11752352	"Betoin F, Advenier C, Fardin V, Wilcox G, Lavarenne J, Eschalier A: In vitro and in vivo evidence for a tachykinin NK1 receptor antagonist effect of vapreotide, an analgesic cyclic analog of somatostatin. Eur J Pharmacol. 1995 Jun 12;279(2-3):241-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Hormones; Neuropeptides; Peptides; Pancreatic Hormones; Peripheral Nervous System Agents; Analgesics; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Central Nervous System Agents; Hypothalamic Hormones; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)[C@H](N)CC1=CC=CC=C1						46506923	D06281	PA164743146		DAP001242	Vapreotide	CHEMBL3349523	
DB04896	Milnacipran	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	16869117; 3005901	"Leo RJ, Brooks VL: Clinical potential of milnacipran, a serotonin and norepinephrine reuptake inhibitor, in pain. Curr Opin Investig Drugs. 2006 Jul;7(7):637-42.@@Moret C, Charveron M, Finberg JP, Couzinier JP, Briley M: Biochemical profile of midalcipran (F 2207), 1-phenyl-1-diethyl-aminocarbonyl-2-aminomethyl-cyclopropane (Z) hydrochloride, a potential fourth generation antidepressant drug. Neuropharmacology. 1985 Dec;24(12):1211-9."	Approved; Investigational			"Cyclopropanes; Sensory System Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Norepinephrine Uptake Inhibitors; Analgesics, Non-Narcotic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System; Adrenergic Agents"	CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1						46506141	D08222	PA164752812		DAP001155	Milnacipran	CHEMBL259209	588250
DB04896	Milnacipran	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	16869117; 3005901	"Leo RJ, Brooks VL: Clinical potential of milnacipran, a serotonin and norepinephrine reuptake inhibitor, in pain. Curr Opin Investig Drugs. 2006 Jul;7(7):637-42.@@Moret C, Charveron M, Finberg JP, Couzinier JP, Briley M: Biochemical profile of midalcipran (F 2207), 1-phenyl-1-diethyl-aminocarbonyl-2-aminomethyl-cyclopropane (Z) hydrochloride, a potential fourth generation antidepressant drug. Neuropharmacology. 1985 Dec;24(12):1211-9."	Approved; Investigational			"Cyclopropanes; Sensory System Agents; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Norepinephrine Uptake Inhibitors; Analgesics, Non-Narcotic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System; Adrenergic Agents"	CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1						46506141	D08222	PA164752812		DAP001155	Milnacipran	CHEMBL259209	588250
DB04899	Nesiritide	BE0000997	NPR2	P20594	ANPRB_HUMAN				Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Peptide Hormones; Cardiac Therapy; Natriuretic Peptide, Brain; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Natriuretic Peptides; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						14052	46508506		PA164781045	P16860	DAP001320	Nesiritide	CHEMBL1201668	19666
DB04899	Nesiritide	BE0002426	NPR3	P17342	ANPRC_HUMAN				Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hypotensive Agents; Natriuretic Agents; Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Peptide Hormones; Cardiac Therapy; Natriuretic Peptide, Brain; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Natriuretic Peptides; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						14052	46508506		PA164781045	P16860	DAP001320	Nesiritide	CHEMBL1201668	19666
DB04901	Galiximab	BE0000847	CD80	P33681	CD80_HUMAN	antibody	15093549; 15994148; 17470451	"Gottlieb AB, Kang S, Linden KG, Lebwohl M, Menter A, Abdulghani AA, Goldfarb M, Chieffo N, Totoritis MC: Evaluation of safety and clinical activity of multiple doses of the anti-CD80 monoclonal antibody, galiximab, in patients with moderate to severe plaque psoriasis. Clin Immunol. 2004 Apr;111(1):28-37.@@Czuczman MS, Thall A, Witzig TE, Vose JM, Younes A, Emmanouilides C, Miller TP, Moore JO, Leonard JP, Gordon LI, Sweetenham J, Alkuzweny B, Finucane DM, Leigh BR: Phase I/II study of galiximab, an anti-CD80 antibody, for relapsed or refractory follicular lymphoma. J Clin Oncol. 2005 Jul 1;23(19):4390-8.@@Leonard JP, Friedberg JW, Younes A, Fisher D, Gordon LI, Moore J, Czuczman M, Miller T, Stiff P, Cheson BD, Forero-Torres A, Chieffo N, McKinney B, Finucane D, Molina A: A phase I/II study of galiximab (an anti-CD80 monoclonal antibody) in combination with rituximab for relapsed or refractory, follicular lymphoma. Ann Oncol. 2007 Jul;18(7):1216-23. Epub 2007 Apr 29."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Anti-Inflammatory Agents; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347909843	D04295				Galiximab		
DB04903	Pagoclone	BE0000381	GABRA2	P47869	GBRA2_HUMAN		16430927	"Atack JR, Pike A, Marshall G, Stanley J, Lincoln R, Cook SM, Lewis RT, Blackaby WP, Goodacre SC, McKernan RM, Dawson GR, Wafford KA, Reynolds DS: The in vivo properties of pagoclone in rat are most likely mediated by 5'-hydroxy pagoclone. Neuropharmacology. 2006 May;50(6):677-89. Epub 2006 Jan 20."	Investigational	Naphthyridines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines	"GABA Agents; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Central Nervous System Depressants; Hypnotics (Nonbenzodiazepine)"	CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1						175426895					Pagoclone	CHEMBL2104745	
DB04903	Pagoclone	BE0000523	GABRA3	P34903	GBRA3_HUMAN		16430927	"Atack JR, Pike A, Marshall G, Stanley J, Lincoln R, Cook SM, Lewis RT, Blackaby WP, Goodacre SC, McKernan RM, Dawson GR, Wafford KA, Reynolds DS: The in vivo properties of pagoclone in rat are most likely mediated by 5'-hydroxy pagoclone. Neuropharmacology. 2006 May;50(6):677-89. Epub 2006 Jan 20."	Investigational	Naphthyridines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines	"GABA Agents; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Central Nervous System Depressants; Hypnotics (Nonbenzodiazepine)"	CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1						175426895					Pagoclone	CHEMBL2104745	
DB04905	Tesmilifene	BE0001032	ABCB1	P08183	MDR1_HUMAN	inducer	16413681; 10755318	"Vincent M: Tesmilifene may enhance breast cancer chemotherapy by killing a clone of aggressive, multi-drug resistant cells through its action on the p-glycoprotein pump. Med Hypotheses. 2006;66(4):715-31. Epub 2006 Jan 18.@@Brandes LJ, Queen GM, LaBella FS: N,N-diethyl-2-[4-(phenylmethyl)phenoxy] ethanamine (DPPE) a chemopotentiating and cytoprotective agent in clinical trials: interaction with histamine at cytochrome P450 3A4 and other isozymes that metabolize antineoplastic drugs. Cancer Chemother Pharmacol. 2000;45(4):298-304."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP3A Substrates; Ethers; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inducers; Hematologic Agents; Histamine Agents	CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1						175426896					Tesmilifene	CHEMBL26424	
DB04905	Tesmilifene	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2886214	"Brandes LJ, Bogdanovic RP, Cawker MD, LaBella FS: Histamine and growth: interaction of antiestrogen binding site ligands with a novel histamine site that may be associated with calcium channels. Cancer Res. 1987 Aug 1;47(15):4025-31."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP3A Substrates; Ethers; P-glycoprotein inducers; Benzene Derivatives; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inducers; Hematologic Agents; Histamine Agents	CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1						175426896					Tesmilifene	CHEMBL26424	
DB04912	Stannsoporfin	BE0000735	HMOX1	P09601	HMOX1_HUMAN		15686268; 8321837; 8265722; 10872746; 12785007	"Drummond GS, Kappas A: Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.@@Cannon JB, Martin C, Drummond GS, Kappas A: Targeted delivery of a heme oxygenase inhibitor with a lyophilized liposomal tin mesoporphyrin formulation. Pharm Res. 1993 May;10(5):715-21.@@Boni RE, Huch Boni RA, Galbraith RA, Drummond GS, Kappas A: Tin-mesoporphyrin inhibits heme oxygenase activity and heme-iron absorption in the intestine. Pharmacology. 1993 Nov;47(5):318-29.@@Wagner KR, Hua Y, de Courten-Myers GM, Broderick JP, Nishimura RN, Lu SY, Dwyer BE: Tin-mesoporphyrin, a potent heme oxygenase inhibitor, for treatment of intracerebral hemorrhage: in vivo and in vitro studies. Cell Mol Biol (Noisy-le-grand). 2000 May;46(3):597-608.@@Nalos M, Vassilev D, Pittner A, Asfar P, Bruckner UB, Schneider EM, Georgieff M, Radermacher P, Froeba G: Tin-mesoporphyrin for inhibition of heme oxygenase during long-term hyperdynamic porcine endotoxemia. Shock. 2003 Jun;19(6):526-32."	Investigational			"Coordination Complexes; Biological Factors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Porphyrins; Pigments, Biological; Heme Oxygenase (Decyclizing), antagonists & inhibitors"	[Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C						347827700							
DB04912	Stannsoporfin	BE0000587	HMOX2	P30519	HMOX2_HUMAN		15686268; 8321837; 8265722; 10872746; 12785007	"Drummond GS, Kappas A: Chemoprevention of severe neonatal hyperbilirubinemia. Semin Perinatol. 2004 Oct;28(5):365-8.@@Cannon JB, Martin C, Drummond GS, Kappas A: Targeted delivery of a heme oxygenase inhibitor with a lyophilized liposomal tin mesoporphyrin formulation. Pharm Res. 1993 May;10(5):715-21.@@Boni RE, Huch Boni RA, Galbraith RA, Drummond GS, Kappas A: Tin-mesoporphyrin inhibits heme oxygenase activity and heme-iron absorption in the intestine. Pharmacology. 1993 Nov;47(5):318-29.@@Wagner KR, Hua Y, de Courten-Myers GM, Broderick JP, Nishimura RN, Lu SY, Dwyer BE: Tin-mesoporphyrin, a potent heme oxygenase inhibitor, for treatment of intracerebral hemorrhage: in vivo and in vitro studies. Cell Mol Biol (Noisy-le-grand). 2000 May;46(3):597-608.@@Nalos M, Vassilev D, Pittner A, Asfar P, Bruckner UB, Schneider EM, Georgieff M, Radermacher P, Froeba G: Tin-mesoporphyrin for inhibition of heme oxygenase during long-term hyperdynamic porcine endotoxemia. Shock. 2003 Jun;19(6):526-32."	Investigational			"Coordination Complexes; Biological Factors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Porphyrins; Pigments, Biological; Heme Oxygenase (Decyclizing), antagonists & inhibitors"	[Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C						347827700							
DB04915	Idronoxil	BE0002434	ENOX2	Q16206	ENOX2_HUMAN		17518268	"Morre DJ, Chueh PJ, Yagiz K, Balicki A, Kim C, Morre DM: ECTO-NOX target for the anticancer isoflavene phenoxodiol. Oncol Res. 2007;16(7):299-312."	Investigational	Hydroxyisoflavonoids	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Hydroxyisoflavonoids	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids"	OC1=CC=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2						175426901						CHEMBL1957038	
DB04917	Renzapride	BE0000084	HTR4	Q13639	5HT4R_HUMAN		1364818	"Craig DA, Clarke DE: Peristalsis evoked by 5-HT and renzapride: evidence for putative 5-HT4 receptor activation. Br J Pharmacol. 1991 Mar;102(3):563-4."	Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Neurotransmitter Agents; Serotonin Receptor Agonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; Antidepressive Agents"	COC1=C(C=CC(N)=C1Cl)C(=O)NC1CCN2CCCC1C2						175426902					Renzapride		
DB04920	Clevidipine	BE0002357	CACNA1F	O60840	CAC1F_HUMAN		15492770	"Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC					20686	175426904	D08892				Clevidipine	CHEMBL1237132	233603
DB04920	Clevidipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN		15492770	"Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC					20686	175426904	D08892				Clevidipine	CHEMBL1237132	233603
DB04920	Clevidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		15492770	"Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC					20686	175426904	D08892				Clevidipine	CHEMBL1237132	233603
DB04924	Itopride	BE0000756	DRD2	P14416	DRD2_HUMAN		17300287; 16495395	"Choung RS, Talley NJ, Peterson J, Camilleri M, Burton D, Harmsen WS, Zinsmeister AR: A double-blind, randomized, placebo-controlled trial of itopride (100 and 200 mg three times daily) on gastric motor and sensory function in healthy volunteers. Neurogastroenterol Motil. 2007 Mar;19(3):180-7.@@Holtmann G, Talley NJ, Liebregts T, Adam B, Parow C: A placebo-controlled trial of itopride in functional dyspepsia. N Engl J Med. 2006 Feb 23;354(8):832-40."	Investigational	N-benzylbenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Drugs for Functional Gastrointestinal Disorders; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Propulsives; Alimentary Tract and Metabolism"	COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1						175426905		PA152432599			Itopride	CHEMBL2107457	
DB04925	Desmoteplase	BE0000211	PLG	P00747	PLMN_HUMAN		17425487	"Dafer RM, Biller J: Desmoteplase in the treatment of acute ischemic stroke. Expert Rev Neurother. 2007 Apr;7(4):333-7."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Recombinant Proteins; Cardiovascular Agents; Hydrolases; Enzymes and Coenzymes; Serine Proteases; Anticoagulants; Endopeptidases; Fibrinolytic Agents; Hematologic Agents; Proteins; Blood Proteins; Fibrin Modulating Agents; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"							347909849			P98119		Desmoteplase		
DB04926	Neramexane	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN				Investigational	Cyclohexylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines	Cycloparaffins	CC1(C)CC(C)(C)CC(C)(N)C1						175426906					Neramexane	CHEMBL2110954	
DB04929	DG031	BE0002382	ALOX5AP	P20292	AL5AP_HUMAN				Investigational										347909852							
DB04930	Permethrin	BE0000141	SCN1A	P35498	SCN1A_HUMAN	inhibitor	20881019; 19960691; 19766671; 19171193; 14651650	"Cao Z, Shafer TJ, Murray TF: Mechanisms of pyrethroid insecticide-induced stimulation of calcium influx in neocortical neurons. J Pharmacol Exp Ther. 2011 Jan;336(1):197-205. doi: 10.1124/jpet.110.171850. Epub 2010 Sep 29.@@Liu N, Xu Q, Li T, He L, Zhang L: Permethrin resistance and target site insensitivity in the mosquito Culex quinquefasciatus in Alabama. J Med Entomol. 2009 Nov;46(6):1424-9.@@Breckenridge CB, Holden L, Sturgess N, Weiner M, Sheets L, Sargent D, Soderlund DM, Choi JS, Symington S, Clark JM, Burr S, Ray D: Evidence for a separate mechanism of toxicity for the Type I and the Type II pyrethroid insecticides. Neurotoxicology. 2009 Nov;30 Suppl 1:S17-31. doi: 10.1016/j.neuro.2009.09.002. Epub 2009 Sep 18.@@Chang C, Shen WK, Wang TT, Lin YH, Hsu EL, Dai SM: A novel amino acid substitution in a voltage-gated sodium channel is associated with knockdown resistance to permethrin in Aedes aegypti. Insect Biochem Mol Biol. 2009 Apr;39(4):272-8. doi: 10.1016/j.ibmb.2009.01.001. Epub 2009 Jan 10.@@McMahon C, Krober T, Guerin PM: In vitro assays for repellents and deterrents for ticks: differing effects of products when tested with attractant or arrestment stimuli. Med Vet Entomol. 2003 Dec;17(4):370-8."	Approved; Investigational	Pyrethroids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Enzyme Inhibitors; Pesticides; Ethers; Pyrethrins; Benzene Derivatives; Scabicides and Pediculicides; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Phenols; Antiparasitic Products, Insecticides and Repellents; Drugs that are Mainly Renally Excreted; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2B6 Inducers; Terpenes; Ectoparasiticides, Incl. Scabicides; Phenyl Ethers; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cyclopentane Monoterpenes; Agrochemicals; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1					1313	46505374	D05443	PA164743137		DAP001235	Permethrin	CHEMBL1525	33199
DB04930	Permethrin	BE0000123	ESR1	P03372	ESR1_HUMAN		16395479	"McCarthy AR, Thomson BM, Shaw IC, Abell AD: Estrogenicity of pyrethroid insecticide metabolites. J Environ Monit. 2006 Jan;8(1):197-202. Epub 2005 Dec 14."	Approved; Investigational	Pyrethroids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Enzyme Inhibitors; Pesticides; Ethers; Pyrethrins; Benzene Derivatives; Scabicides and Pediculicides; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Phenols; Antiparasitic Products, Insecticides and Repellents; Drugs that are Mainly Renally Excreted; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2B6 Inducers; Terpenes; Ectoparasiticides, Incl. Scabicides; Phenyl Ethers; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cyclopentane Monoterpenes; Agrochemicals; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1					1313	46505374	D05443	PA164743137		DAP001235	Permethrin	CHEMBL1525	33199
DB04930	Permethrin	BE0000956	NR1I2	O75469	NR1I2_HUMAN		21115097	"Kojima H, Sata F, Takeuchi S, Sueyoshi T, Nagai T: Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology. 2011 Feb 27;280(3):77-87. doi: 10.1016/j.tox.2010.11.008. Epub 2010 Nov 27."	Approved; Investigational	Pyrethroids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Enzyme Inhibitors; Pesticides; Ethers; Pyrethrins; Benzene Derivatives; Scabicides and Pediculicides; Insecticides; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Phenols; Antiparasitic Products, Insecticides and Repellents; Drugs that are Mainly Renally Excreted; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2B6 Inducers; Terpenes; Ectoparasiticides, Incl. Scabicides; Phenyl Ethers; Compounds used in a research, industrial, or household setting; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cyclopentane Monoterpenes; Agrochemicals; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1					1313	46505374	D05443	PA164743137		DAP001235	Permethrin	CHEMBL1525	33199
DB04932	Defibrotide	BE0000013	ADORA1	P30542	AA1R_HUMAN		8405101	"Bianchi G, Barone D, Lanzarotti E, Tettamanti R, Porta R, Moltrasio D, Cedro A, Salvetti L, Mantovani M, Prino G: Defibrotide, a single-stranded polydeoxyribonucleotide acting as an adenosine receptor agonist. Eur J Pharmacol. 1993 Jul 20;238(2-3):327-34."	Approved; Investigational			"Cardiovascular Agents; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Anticoagulants; Aptamers, Nucleotide; Fibrinolytic Agents; Hematologic Agents; Polynucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Fibrin Modulating Agents; Antiplatelet agents"						22880	46508192		PA164749105			Defibrotide	CHEMBL2108396	1311089
DB04932	Defibrotide	BE0000241	ADORA2B	P29275	AA2BR_HUMAN		8405101	"Bianchi G, Barone D, Lanzarotti E, Tettamanti R, Porta R, Moltrasio D, Cedro A, Salvetti L, Mantovani M, Prino G: Defibrotide, a single-stranded polydeoxyribonucleotide acting as an adenosine receptor agonist. Eur J Pharmacol. 1993 Jul 20;238(2-3):327-34."	Approved; Investigational			"Cardiovascular Agents; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Anticoagulants; Aptamers, Nucleotide; Fibrinolytic Agents; Hematologic Agents; Polynucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Fibrin Modulating Agents; Antiplatelet agents"						22880	46508192		PA164749105			Defibrotide	CHEMBL2108396	1311089
DB04938	Ospemifene	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	15255284; 16153821	"Komi J, Heikkinen J, Rutanen EM, Halonen K, Lammintausta R, Ylikorkala O: Effects of ospemifene, a novel SERM, on biochemical markers of bone turnover in healthy postmenopausal women. Gynecol Endocrinol. 2004 Mar;18(3):152-8.@@Wurz GT, Read KC, Marchisano-Karpman C, Gregg JP, Beckett LA, Yu Q, Degregorio MW: Ospemifene inhibits the growth of dimethylbenzanthracene-induced mammary tumors in Sencar mice. J Steroid Biochem Mol Biol. 2005 Nov;97(3):230-40. Epub 2005 Sep 8."	Approved; Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2D6 Inhibitors; Selective Estrogen Receptor Modulators; Stilbenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Estrogen Agonist-antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Estrogen Agonist/Antagonist; Cytochrome P-450 CYP2C19 Substrates	OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1					23619	175426911	D08958				Ospemifene	CHEMBL2105395	1370971
DB04941	Crofelemer	BE0004746	ANO1	Q5XXA6	ANO1_HUMAN	antagonist	19808995	"Tradtrantip L, Namkung W, Verkman AS: Crofelemer, an antisecretory antidiarrheal proanthocyanidin oligomer extracted from Croton lechleri, targets two distinct intestinal chloride channels. Mol Pharmacol. 2010 Jan;77(1):69-78. doi: 10.1124/mol.109.061051. Epub 2009 Oct 6."	Approved			"Chromones; Chromans; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Antidiarrheals; Polymers; Tannins; Macromolecular Substances; Biopolymers; Pyrans; Alimentary Tract and Metabolism; Flavonoids; Compounds used in a research, industrial, or household setting"							347909853	D03605				Crofelemer	CHEMBL2108184	1364449
DB04941	Crofelemer	BE0001195	CFTR	P13569	CFTR_HUMAN	antagonist	19808995	"Tradtrantip L, Namkung W, Verkman AS: Crofelemer, an antisecretory antidiarrheal proanthocyanidin oligomer extracted from Croton lechleri, targets two distinct intestinal chloride channels. Mol Pharmacol. 2010 Jan;77(1):69-78. doi: 10.1124/mol.109.061051. Epub 2009 Oct 6."	Approved			"Chromones; Chromans; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Antidiarrheals; Polymers; Tannins; Macromolecular Substances; Biopolymers; Pyrans; Alimentary Tract and Metabolism; Flavonoids; Compounds used in a research, industrial, or household setting"							347909853	D03605				Crofelemer	CHEMBL2108184	1364449
DB04942	Tamibarotene	BE0000663	RARA	P10276	RARA_HUMAN	agonist	17925887; 15843826; 11752352; 17611697; 15563242	"Miwako I, Kagechika H: Tamibarotene. Drugs Today (Barc). 2007 Aug;43(8):563-8.@@Sanda T, Kuwano T, Nakao S, Iida S, Ishida T, Komatsu H, Shudo K, Kuwano M, Ono M, Ueda R: Antimyeloma effects of a novel synthetic retinoid Am80 (Tamibarotene) through inhibition of angiogenesis. Leukemia. 2005 Jun;19(6):901-9.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Jimi S, Mashima K, Matsumoto T, Hara S, Suzumiya J, Tamura K: RARalpha is a regulatory factor for Am-80-induced cell growth inhibition of hematologic malignant cells. Int J Oncol. 2007 Aug;31(2):397-404.@@Authors unspecified: Tamibarotene: AM 80, retinobenzoic acid, Tamibaro. Drugs R D. 2004;5(6):359-62."	Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	"Acids, Carbocyclic; Naphthalenes; Benzene Derivatives"	CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2						46509039	D01418	PA164743464		DAP000461	Tamibarotene	CHEMBL25202	
DB04942	Tamibarotene	BE0000206	RARB	P10826	RARB_HUMAN	agonist	17925887; 15843826; 17611697; 15563242	"Miwako I, Kagechika H: Tamibarotene. Drugs Today (Barc). 2007 Aug;43(8):563-8.@@Sanda T, Kuwano T, Nakao S, Iida S, Ishida T, Komatsu H, Shudo K, Kuwano M, Ono M, Ueda R: Antimyeloma effects of a novel synthetic retinoid Am80 (Tamibarotene) through inhibition of angiogenesis. Leukemia. 2005 Jun;19(6):901-9.@@Jimi S, Mashima K, Matsumoto T, Hara S, Suzumiya J, Tamura K: RARalpha is a regulatory factor for Am-80-induced cell growth inhibition of hematologic malignant cells. Int J Oncol. 2007 Aug;31(2):397-404.@@Authors unspecified: Tamibarotene: AM 80, retinobenzoic acid, Tamibaro. Drugs R D. 2004;5(6):359-62."	Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	"Acids, Carbocyclic; Naphthalenes; Benzene Derivatives"	CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2						46509039	D01418	PA164743464		DAP000461	Tamibarotene	CHEMBL25202	
DB04946	Iloperidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	8997630; 12861482	"Kongsamut S, Roehr JE, Cai J, Hartman HB, Weissensee P, Kerman LL, Tang L, Sandrasagra A: Iloperidone binding to human and rat dopamine and 5-HT receptors. Eur J Pharmacol. 1996 Dec 19;317(2-3):417-23.@@Hesselink JM: Iloperidone (Novartis). IDrugs. 2002 Jan;5(1):84-90."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates	COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O						175426913	D02666	PA161199368			Iloperidone	CHEMBL14376	73178
DB04946	Iloperidone	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	23545936	"George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates	COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O						175426913	D02666	PA161199368			Iloperidone	CHEMBL14376	73178
DB04946	Iloperidone	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	23272794	"Bobo WV: Asenapine, iloperidone and lurasidone: critical appraisal of the most recently approved pharmacotherapies for schizophrenia in adults. Expert Rev Clin Pharmacol. 2013 Jan;6(1):61-91. doi: 10.1586/ecp.12.70."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates	COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O						175426913	D02666	PA161199368			Iloperidone	CHEMBL14376	73178
DB04946	Iloperidone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	23545936	"George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates	COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O						175426913	D02666	PA161199368			Iloperidone	CHEMBL14376	73178
DB04946	Iloperidone	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	23272794	"Bobo WV: Asenapine, iloperidone and lurasidone: critical appraisal of the most recently approved pharmacotherapies for schizophrenia in adults. Expert Rev Clin Pharmacol. 2013 Jan;6(1):61-91. doi: 10.1586/ecp.12.70."	Approved	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Schizophrenia; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Highest Risk QTc-Prolonging Agents; Nervous System; Cytochrome P-450 CYP3A7 Substrates	COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O						175426913	D02666	PA161199368			Iloperidone	CHEMBL14376	73178
DB04947	Altropane	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN		17511972	"Spencer TJ, Biederman J, Madras BK, Dougherty DD, Bonab AA, Livni E, Meltzer PC, Martin J, Rauch S, Fischman AJ: Further evidence of dopamine transporter dysregulation in ADHD: a controlled PET imaging study using altropane. Biol Psychiatry. 2007 Nov 1;62(9):1059-61. Epub 2007 May 23."	Investigational	Phenyltropanes	Organic compounds; Alkaloids and derivatives; Tropane alkaloids; Phenyltropanes	Aza Compounds; Iodine Radioisotopes; Alkaloids; Azabicyclo Compounds; Tropanes	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C(F)C=C1)C(=O)OC)N2C\C=C\I						175426914					Altropane		
DB04948	Lofexidine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist			Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates	CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1						46508453		PA164744510		DAP000064	Lofexidine	CHEMBL17860	28863
DB04948	Lofexidine	BE0000650	HTR7	P34969	5HT7R_HUMAN	agonist			Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates	CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1						46508453		PA164744510		DAP000064	Lofexidine	CHEMBL17860	28863
DB04948	Lofexidine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist			Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates	CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1						46508453		PA164744510		DAP000064	Lofexidine	CHEMBL17860	28863
DB04948	Lofexidine	BE0000659	HTR1D	P28221	5HT1D_HUMAN	agonist			Approved; Investigational	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	Sensory System Agents; Central alpha-2 Adrenergic Agonist; QTc Prolonging Agents; Adrenergic alpha-Agonists; Antihypertensive Agents; Serotonin Receptor Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; MATE 1 Inhibitors; Drugs Used in Addictive Disorders; Hypotensive Agents; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Drugs Used in Opioid Dependence; Imidazoles; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 Substrates; Serotonin 5-HT2 Receptor Agonists; Adrenergic Agonists; Cytochrome P-450 CYP2D6 Substrates; MATE inhibitors; Agents that produce hypertension; Imidazolines; Peripheral Nervous System Agents; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates	CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1						46508453		PA164744510		DAP000064	Lofexidine	CHEMBL17860	28863
DB04953	Ezogabine	BE0000897	KCNQ2	O43526	KCNQ2_HUMAN		15662042; 17184917; 17456683; 10908292; 10953053	"Wuttke TV, Seebohm G, Bail S, Maljevic S, Lerche H: The new anticonvulsant retigabine favors voltage-dependent opening of the Kv7.2 (KCNQ2) channel by binding to its activation gate. Mol Pharmacol. 2005 Apr;67(4):1009-17. Epub 2005 Jan 20.@@Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Main MJ, Cryan JE, Dupere JR, Cox B, Clare JJ, Burbidge SA: Modulation of KCNQ2/3 potassium channels by the novel anticonvulsant retigabine. Mol Pharmacol. 2000 Aug;58(2):253-62.@@Wickenden AD, Yu W, Zou A, Jegla T, Wagoner PK: Retigabine, a novel anti-convulsant, enhances activation of KCNQ2/Q3 potassium channels. Mol Pharmacol. 2000 Sep;58(3):591-600."	Approved; Investigational	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants"	CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1						175426917	D09569	PA144997862			Retigabine	CHEMBL41355	1112990
DB04953	Ezogabine	BE0002398	KCNQ3	O43525	KCNQ3_HUMAN		17184917; 17456683; 10908292; 10953053	"Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Punke MA, Friederich P: Amitriptyline is a potent blocker of human Kv1.1 and Kv7.2/7.3 channels. Anesth Analg. 2007 May;104(5):1256-64, tables of contents.@@Main MJ, Cryan JE, Dupere JR, Cox B, Clare JJ, Burbidge SA: Modulation of KCNQ2/3 potassium channels by the novel anticonvulsant retigabine. Mol Pharmacol. 2000 Aug;58(2):253-62.@@Wickenden AD, Yu W, Zou A, Jegla T, Wagoner PK: Retigabine, a novel anti-convulsant, enhances activation of KCNQ2/Q3 potassium channels. Mol Pharmacol. 2000 Sep;58(3):591-600."	Approved; Investigational	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants"	CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1						175426917	D09569	PA144997862			Retigabine	CHEMBL41355	1112990
DB04953	Ezogabine	BE0002399	KCNQ4	P56696	KCNQ4_HUMAN		17184917; 11378159; 16713428	"Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Schroder RL, Jespersen T, Christophersen P, Strobaek D, Jensen BS, Olesen SP: KCNQ4 channel activation by BMS-204352 and retigabine. Neuropharmacology. 2001 Jun;40(7):888-98.@@Borlak J, Gasparic A, Locher M, Schupke H, Hermann R: N-Glucuronidation of the antiepileptic drug retigabine: results from studies with human volunteers, heterologously expressed human UGTs, human liver, kidney, and liver microsomal membranes of Crigler-Najjar type II. Metabolism. 2006 Jun;55(6):711-21."	Approved; Investigational	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants"	CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1						175426917	D09569	PA144997862			Retigabine	CHEMBL41355	1112990
DB04953	Ezogabine	BE0002400	KCNQ5	Q9NR82	KCNQ5_HUMAN		17184917; 12545144; 16713428	"Hirano K, Kuratani K, Fujiyoshi M, Tashiro N, Hayashi E, Kinoshita M: Kv7.2-7.5 voltage-gated potassium channel (KCNQ2-5) opener, retigabine, reduces capsaicin-induced visceral pain in mice. Neurosci Lett. 2007 Feb 14;413(2):159-62. Epub 2006 Dec 20.@@Hermann R, Ferron GM, Erb K, Knebel N, Ruus P, Paul J, Richards L, Cnota HP, Troy S: Effects of age and sex on the disposition of retigabine. Clin Pharmacol Ther. 2003 Jan;73(1):61-70.@@Borlak J, Gasparic A, Locher M, Schupke H, Hermann R: N-Glucuronidation of the antiepileptic drug retigabine: results from studies with human volunteers, heterologously expressed human UGTs, human liver, kidney, and liver microsomal membranes of Crigler-Najjar type II. Metabolism. 2006 Jun;55(6):711-21."	Approved; Investigational	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"QTc Prolonging Agents; Amines; Central Nervous System Depressants; Potassium Channel Opener; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Potential QTc-Prolonging Agents; UGT1A3 substrates; Acids, Acyclic; Polyamines; Diamines; Aniline Compounds; Central Nervous System Agents; UGT1A9 Substrates; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Anticonvulsants"	CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1						175426917	D09569	PA144997862			Retigabine	CHEMBL41355	1112990
DB04954	Tecadenoson	BE0000013	ADORA1	P30542	AA1R_HUMAN		16230891; 15956124; 13678937	"Peterman C, Sanoski CA: Tecadenoson: a novel, selective A1 adenosine receptor agonist. Cardiol Rev. 2005 Nov-Dec;13(6):315-21.@@Ellenbogen KA, O'Neill G, Prystowsky EN, Camm JA, Meng L, Lieu HD, Jerling M, Shreeniwas R, Belardinelli L, Wolff AA: Trial to evaluate the management of paroxysmal supraventricular tachycardia during an electrophysiology study with tecadenoson. Circulation. 2005 Jun 21;111(24):3202-8. Epub 2005 Jun 13.@@Prystowsky EN, Niazi I, Curtis AB, Wilber DJ, Bahnson T, Ellenbogen K, Dhala A, Bloomfield DM, Gold M, Kadish A, Fogel RI, Gonzalez MD, Belardinelli L, Shreeniwas R, Wolff AA: Termination of paroxysmal supraventricular tachycardia by tecadenoson (CVT-510), a novel A1-adenosine receptor agonist. J Am Coll Cardiol. 2003 Sep 17;42(6):1098-102."	Investigational	Purine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides"	"Purinergic Agonists; Purine Nucleosides; Ribonucleosides; Heterocyclic Compounds, Fused-Ring; Purines; Nucleosides; Neurotransmitter Agents; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic Agents; Purinergic P1 Receptor Agonists"	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H]3CCOC3)N=CN=C12						175426918						CHEMBL392149	
DB04957	Azimilide	BE0000489	KCNE1	P15382	KCNE1_HUMAN		11573692; 11060832	"Schmitt H, Cabo C, Coromilas JC, Wit AL: Effects of azimilide, a new class III antiarrhythmic drug, on reentrant circuits causing ventricular tachycardia and fibrillation in a canine model of myocardial infarction. J Cardiovasc Electrophysiol. 2001 Sep;12(9):1025-33.@@Abrol R, Page RL: Azimilide dihydrochloride: a new class III anti-arrhythmic agent. Expert Opin Investig Drugs. 2000 Nov;9(11):2705-15."	Investigational	Hydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	"Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 Substrates; Imidazolidines; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Imidazoles; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antiarrhythmics, Class III"	CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1						175426919					Azimilide		
DB04957	Azimilide	BE0000672	KCNQ1	P51787	KCNQ1_HUMAN		11573692; 11060832	"Schmitt H, Cabo C, Coromilas JC, Wit AL: Effects of azimilide, a new class III antiarrhythmic drug, on reentrant circuits causing ventricular tachycardia and fibrillation in a canine model of myocardial infarction. J Cardiovasc Electrophysiol. 2001 Sep;12(9):1025-33.@@Abrol R, Page RL: Azimilide dihydrochloride: a new class III anti-arrhythmic agent. Expert Opin Investig Drugs. 2000 Nov;9(11):2705-15."	Investigational	Hydantoins	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	"Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 Substrates; Imidazolidines; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Imidazoles; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antiarrhythmics, Class III"	CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1						175426919					Azimilide		
DB04958	Epratuzumab	BE0000183	CD22	P20273	CD22_HUMAN	antibody	16918261; 17530024; 16814387; 33807678	"Steinfeld SD, Youinou P: Epratuzumab (humanised anti-CD22 antibody) in autoimmune diseases. Expert Opin Biol Ther. 2006 Sep;6(9):943-9.@@Leonard JP, Goldenberg DM: Preclinical and clinical evaluation of epratuzumab (anti-CD22 IgG) in B-cell malignancies. Oncogene. 2007 May 28;26(25):3704-13.@@Carnahan J, Stein R, Qu Z, Hess K, Cesano A, Hansen HJ, Goldenberg DM: Epratuzumab, a CD22-targeting recombinant humanized antibody with a different mode of action from rituximab. Mol Immunol. 2007 Feb;44(6):1331-41. Epub 2006 Jun 30.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347909859					Epratuzumab		
DB04959	Verpasep caltespen	BE0002459	KRT7	P08729	K2C7_HUMAN		12072504	"Kanduc D: Translational regulation of human papillomavirus type 16 E7 mRNA by the peptide SEQIKA, shared by rabbit alpha(1)-globin and human cytokeratin 7. J Virol. 2002 Jul;76(14):7040-8."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347909860					HspE7		
DB04959	Verpasep caltespen	BE0002460	UBR4	Q5T4S7	UBR4_HUMAN		16061792	"Huh KW, DeMasi J, Ogawa H, Nakatani Y, Howley PM, Munger K: Association of the human papillomavirus type 16 E7 oncoprotein with the 600-kDa retinoblastoma protein-associated factor, p600. Proc Natl Acad Sci U S A. 2005 Aug 9;102(32):11492-7. Epub 2005 Aug 1."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347909860					HspE7		
DB04960	Tipifarnib	BE0002372	FNTB	P49356	FNTB_HUMAN		15805288	"Venkatasubbarao K, Choudary A, Freeman JW: Farnesyl transferase inhibitor (R115777)-induced inhibition of STAT3(Tyr705) phosphorylation in human pancreatic cancer cell lines require extracellular signal-regulated kinases. Cancer Res. 2005 Apr 1;65(7):2861-71."	Investigational	Linear diarylheptanoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Quinolines; Antineoplastic Agents"	CN1C=NC=C1[C@@](N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1						175426920					Tipifarnib	CHEMBL289228	
DB04964	Oregovomab	BE0002439	MUC16	Q8WXI7	MUC16_HUMAN		15268682; 17073521	"Berek JS: Immunotherapy of ovarian cancer with antibodies: a focus on oregovomab. Expert Opin Biol Ther. 2004 Jul;4(7):1159-65.@@Authors unspecified: Oregovomab: anti-CA-125 monoclonal antibody B43.13--AltaRex, B43.13, MAb B43.13, monoclonal antibody B43.13. Drugs R D. 2006;7(6):379-83."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; CA-125 Antigen; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347909863					Oregovomab		
DB04967	Lucanthone	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	9169823; 10487533	"Bases RE, Mendez F: Topoisomerase inhibition by lucanthone, an adjuvant in radiation therapy. Int J Radiat Oncol Biol Phys. 1997 Mar 15;37(5):1133-7.@@Dassonneville L, Bailly C: Stimulation of topoisomerase II-mediated DNA cleavage by an indazole analogue of lucanthone. Biochem Pharmacol. 1999 Oct 15;58(8):1307-12."	Investigational	Thiochromenes	Organic compounds; Organoheterocyclic compounds; Thiochromenes	"Antiplatyhelmintic Agents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Anthelmintics; Thioxanthenes; Schistosomicides; Antiparasitic Agents; Xanthones; Xanthenes"	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1						46507260		PA164748783		DAP001003	Lucanthone	CHEMBL279014	
DB04971	Reglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN				Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1						347909866						CHEMBL293526	
DB04971	Reglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN				Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1						347909866						CHEMBL293526	
DB04973	LErafAON	BE0000036	RAF1	P04049	RAF1_HUMAN		12429653	"Gokhale PC, Zhang C, Newsome JT, Pei J, Ahmad I, Rahman A, Dritschilo A, Kasid UN: Pharmacokinetics, toxicity, and efficacy of ends-modified raf antisense oligodeoxyribonucleotide encapsulated in a novel cationic liposome. Clin Cancer Res. 2002 Nov;8(11):3611-21."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"							347909867							
DB04974	Rimiducid	BE0002386	MTOR	P42345	MTOR_HUMAN	ligand			Investigational			Cross-Linking Reagents	CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC(OCC(=O)NCCNC(=O)COC2=CC=CC(=C2)[C@@H](CCC2=CC=C(OC)C(OC)=C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1)C1=CC(OC)=C(OC)C(OC)=C1						347909868						CHEMBL269259	
DB04982	Talampanel	BE0000640	GRIA1	P42261	GRIA1_HUMAN		12581229; 17199027; 16861112	"Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31."	Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1						175426925	D02696				Talampanel	CHEMBL61872	
DB04982	Talampanel	BE0000829	GRIA2	P42262	GRIA2_HUMAN		12581229; 17199027; 16861112	"Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31."	Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1						175426925	D02696				Talampanel	CHEMBL61872	
DB04982	Talampanel	BE0000831	GRIA3	P42263	GRIA3_HUMAN		12581229; 17199027; 16861112	"Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31."	Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1						175426925	D02696				Talampanel	CHEMBL61872	
DB04982	Talampanel	BE0000830	GRIA4	P48058	GRIA4_HUMAN		12581229; 17199027; 16861112	"Langan YM, Lucas R, Jewell H, Toublanc N, Schaefer H, Sander JW, Patsalos PN: Talampanel, a new antiepileptic drug: single- and multiple-dose pharmacokinetics and initial 1-week experience in patients with chronic intractable epilepsy. Epilepsia. 2003 Jan;44(1):46-53.@@Howes JF, Bell C: Talampanel. Neurotherapeutics. 2007 Jan;4(1):126-9.@@Denes L, Szilagyi G, Gal A, Nagy Z: Talampanel a non-competitive AMPA-antagonist attenuates caspase-3 dependent apoptosis in mouse brain after transient focal cerebral ischemia. Brain Res Bull. 2006 Jul 31;70(3):260-2. Epub 2006 Mar 31."	Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Receptors, AMPA, antagonists & inhibitors; Benzazepines; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1						175426925	D02696				Talampanel	CHEMBL61872	
DB04988	IGN311	BE0000767	EGFR	P00533	EGFR_HUMAN		16963623	"Farhan H, Schuster C, Klinger M, Weisz E, Waxenecker G, Schuster M, Sexl V, Mudde GC, Freissmuth M, Kircheis R: Inhibition of xenograft tumor growth and down-regulation of ErbB receptors by an antibody directed against Lewis Y antigen. J Pharmacol Exp Ther. 2006 Dec;319(3):1459-66. Epub 2006 Sep 8."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909877							
DB04988	IGN311	BE0000511	ERBB2	P04626	ERBB2_HUMAN		16963623	"Farhan H, Schuster C, Klinger M, Weisz E, Waxenecker G, Schuster M, Sexl V, Mudde GC, Freissmuth M, Kircheis R: Inhibition of xenograft tumor growth and down-regulation of ErbB receptors by an antibody directed against Lewis Y antigen. J Pharmacol Exp Ther. 2006 Dec;319(3):1459-66. Epub 2006 Sep 8."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909877							
DB04991	XL784	BE0002404	ADAM10	O14672	ADA10_HUMAN				Investigational										347909879							
DB04997	ATL1102	BE0000590	ITGA4	P13612	ITA4_HUMAN				Investigational										347909882							
DB05003	Imexon	BE0002450	RRM2	P31350	RIR2_HUMAN				Investigational	Pyrimidones	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Ketones	NC1=NC(=O)N2CC12						175426928					Imexon	CHEMBL146428	
DB05010	SGS-742	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN				Investigational	Organophosphorus compounds	Organic compounds; Organophosphorus compounds	"GABA Agents; Central Nervous System Agents; Neurotransmitter Agents; GABA Antagonists; Protective Agents; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	CCCCP(O)(=O)CCCN						347827702						CHEMBL112797	
DB05010	SGS-742	BE0002340	GABBR2	O75899	GABR2_HUMAN				Investigational	Organophosphorus compounds	Organic compounds; Organophosphorus compounds	"GABA Agents; Central Nervous System Agents; Neurotransmitter Agents; GABA Antagonists; Protective Agents; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	CCCCP(O)(=O)CCCN						347827702						CHEMBL112797	
DB05012	XEN-2174	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational			"Amino Acids, Peptides, and Proteins"							347909891							
DB05013	Ingenol mebutate	BE0002417	PRKCD	Q05655	KPCD_HUMAN	ligand	15126366	"Kedei N, Lundberg DJ, Toth A, Welburn P, Garfield SH, Blumberg PM: Characterization of the interaction of ingenol 3-angelate with protein kinase C. Cancer Res. 2004 May 1;64(9):3243-55."	Approved	Tigliane and ingenane diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Cell Death Inducer; Increased Cellular Death; Misc. Skin and Mucous Membrane Agents; Dermatologicals; Terpenes	[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C					21660	175426930	D09393				Ingenol_mebutate	CHEMBL1863513	1242806
DB05013	Ingenol mebutate	BE0001132	PRKCA	P17252	KPCA_HUMAN	ligand	15126366	"Kedei N, Lundberg DJ, Toth A, Welburn P, Garfield SH, Blumberg PM: Characterization of the interaction of ingenol 3-angelate with protein kinase C. Cancer Res. 2004 May 1;64(9):3243-55."	Approved	Tigliane and ingenane diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Cell Death Inducer; Increased Cellular Death; Misc. Skin and Mucous Membrane Agents; Dermatologicals; Terpenes	[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C					21660	175426930	D09393				Ingenol_mebutate	CHEMBL1863513	1242806
DB05014	XL999	BE0002133	FGFR3	P22607	FGFR3_HUMAN				Investigational										347909892							
DB05014	XL999	BE0002131	FGFR1	P11362	FGFR1_HUMAN				Investigational										347909892							
DB05014	XL999	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational										347909892							
DB05014	XL999	BE0000147	FLT3	P36888	FLT3_HUMAN				Investigational										347909892							
DB05014	XL999	BE0002411	RET	P07949	RET_HUMAN				Investigational										347909892							
DB05015	Belinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	28090369; 32503121	"Hood K, Shah A: Belinostat for Relapsed or Refractory Peripheral T-Cell Lymphoma. J Adv Pract Oncol. 2016 Mar;7(2):209-218. Epub 2016 Mar 1.@@Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609."	Approved; Investigational	Cinnamic acids and derivatives	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives	Myelosuppressive Agents; Cancer immunotherapy; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Amides; Histone deacetylase (HDAC) inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Sulfones; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Hydroxy Acids; Cytochrome P-450 CYP2C8 Inhibitors (weak); UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2A6 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Inducers (weak); UGT1A1 Substrates; Sulfur Compounds; Narrow Therapeutic Index Drugs	ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1						347827703					Belinostat	CHEMBL408513	1543543
DB05018	Migalastat	BE0002422	GLA	P06280	AGAL_HUMAN	stabilization			Approved; Investigational	Piperidines	Organic compounds; Organoheterocyclic compounds; Piperidines	Imino Pyranoses; Piperidines; Carbohydrates; UGT1A1 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Various Alimentary Tract and Metabolism Products; Alpha-Galactosidase A (alpha-Gal A) Pharmacological Chaperones; Alimentary Tract and Metabolism; Imino Sugars	OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O					22894	347827704					Migalastat	CHEMBL110458	2054252
DB05022	Amonafide	BE0002425	TOP2B	Q02880	TOP2B_HUMAN				Investigational	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"Indicators and Reagents; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Organophosphorus Compounds; Intercalating Agents; Laboratory Chemicals; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23						175426932					Amonafide	CHEMBL428676	1440270
DB05023	ATL1101	BE0000858	IGF1R	P08069	IGF1R_HUMAN				Investigational										347909897							
DB05024	CTA018	BE0002250	CYP24A1	Q07973	CP24A_HUMAN				Investigational										347909898							
DB05024	CTA018	BE0000779	VDR	P11473	VDR_HUMAN				Investigational										347909898							
DB05025	Arimoclomol	BE0002390	SOD1	P00441	SODC_HUMAN				Investigational	Pyridinium derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinium derivatives	Amines; Nervous System	O[C@@H](CON=C(Cl)C1=C[N+]([O-])=CC=C1)CN1CCCCC1						175426933					Arimoclomol		
DB05032	REV131	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN				Investigational			"Amino Acids, Peptides, and Proteins; Proteins"							347909902							
DB05033	INCB7839	BE0003412	ADAM9	Q13443	ADAM9_HUMAN				Investigational										347909903							
DB05035	Eprotirome	BE0000315	THRB	P10828	THB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Bromodiphenyl ethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Amines; Aniline Compounds; Amides	CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1						347827705						CHEMBL2035874	
DB05036	Grn163l	BE0002478	SMG6	Q86US8	EST1A_HUMAN				Investigational										347909904							
DB05036	Grn163l	BE0002480	PTGES3	Q15185	TEBP_HUMAN				Investigational										347909904							
DB05036	Grn163l	BE0002449	TERT	O14746	TERT_HUMAN				Investigational										347909904							
DB05038	Anatibant	BE0003513	BDKRB2	P30411	BKRB2_HUMAN	antagonist	10596852	"Pruneau D, Paquet JL, Luccarini JM, Defrene E, Fouchet C, Franck RM, Loillier B, Robert C, Belichard P, Duclos H, Cremers B, Dodey P: Pharmacological profile of LF 16-0687, a new potent non-peptide bradykinin B2 receptor antagonist. Immunopharmacology. 1999 Sep;43(2-3):187-94."	Investigational	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Bradykinin Receptor Antagonists; Heterocyclic Compounds, Fused-Ring"	CC1=CC(C)=C2C=CC=C(OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(N)=N)C2=N1						175426935						CHEMBL2107725	
DB05046	V1003	BE0000632	OPRK1	P41145	OPRK_HUMAN				Investigational										347909911							
DB05047	CX-717	BE0003394	BDNF	P23560	BDNF_HUMAN				Illicit; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles		O=C(N1CCOCC1)C1=CC2=NON=C2C=C1						347909912					CX717		
DB05047	CX-717	BE0000640	GRIA1	P42261	GRIA1_HUMAN				Illicit; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles		O=C(N1CCOCC1)C1=CC2=NON=C2C=C1						347909912					CX717		
DB05047	CX-717	BE0000829	GRIA2	P42262	GRIA2_HUMAN				Illicit; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles		O=C(N1CCOCC1)C1=CC2=NON=C2C=C1						347909912					CX717		
DB05047	CX-717	BE0000831	GRIA3	P42263	GRIA3_HUMAN				Illicit; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles		O=C(N1CCOCC1)C1=CC2=NON=C2C=C1						347909912					CX717		
DB05047	CX-717	BE0000830	GRIA4	P48058	GRIA4_HUMAN				Illicit; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles		O=C(N1CCOCC1)C1=CC2=NON=C2C=C1						347909912					CX717		
DB05052	MF101	BE0000792	ESR2	Q92731	ESR2_HUMAN				Investigational										347909916							
DB05053	MB-07803	BE0002431	FBP1	P09467	F16P1_HUMAN				Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C						347827708							
DB05064	INCB13739	BE0000329	HSD11B1	P28845	DHI1_HUMAN				Investigational			"11-beta-Hydroxysteroid Dehydrogenase Type 1, antagonists & inhibitors; Sulfones; Sulfur Compounds; Amides"							347909924							
DB05070	ADX10059	BE0001192	GRM5	P41594	GRM5_HUMAN				Investigational										347909927							
DB05072	AV608	BE0000384	TACR1	P25103	NK1R_HUMAN				Investigational										347909929							
DB05075	TG-100801	BE0000029	FLT1	P17948	VGFR1_HUMAN				Investigational	Depsides and depsidones	Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones	Benzene Derivatives	CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl						347827709						CHEMBL403989	
DB05075	TG-100801	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational	Depsides and depsidones	Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones	Benzene Derivatives	CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl						347827709						CHEMBL403989	
DB05075	TG-100801	BE0000023	FLT4	P35916	VGFR3_HUMAN				Investigational	Depsides and depsidones	Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones	Benzene Derivatives	CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl						347827709						CHEMBL403989	
DB05075	TG-100801	BE0001356	CSK	P41240	CSK_HUMAN				Investigational	Depsides and depsidones	Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones	Benzene Derivatives	CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl						347827709						CHEMBL403989	
DB05078	AER001	BE0002420	IL4R	P24394	IL4RA_HUMAN				Investigational										347909932							
DB05079	HY10275	BE0000442	HRH1	P35367	HRH1_HUMAN				Investigational										347909933							
DB05080	OBE101	BE0000442	HRH1	P35367	HRH1_HUMAN				Investigational										347909934							
DB05087	Ganaxolone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	Fused-Ring Compounds; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP3A5 Substrates; GABA Agents; Cytochrome P-450 CYP2D6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Neuroactive Steroid Gamma-Aminobutyric Acid A Receptor Positive Modulator; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Agents; GABA Modulators; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Steroids; Anticonvulsants; Pregnanes; Cytochrome P-450 CYP2C19 Substrates	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C						175426940		PA166278301			Ganaxolone	CHEMBL1568698	2604689
DB05088	Tetrathiomolybdate	BE0003392	APP	P05067	A4_HUMAN		15681799	"Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48."	Investigational			"Growth Inhibitors; Adenosine Triphosphatases, antagonists & inhibitors; Metals; Chelating Agents; Enzyme Inhibitors; Angiogenesis Modulating Agents; Elements; Growth Substances; Transition Elements; Sequestering Agents; Metals, Heavy; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	[S-][Mo]([S-])(=S)=S						175426941					Tetrathiomolybdate		
DB05092	CDP323	BE0000590	ITGA4	P13612	ITA4_HUMAN				Investigational			"Amino Acids; Integrin alpha4; Heterocyclic Compounds, Fused-Ring; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"							347909941					CDP323		
DB05096	LY2140023	BE0002342	GRM3	Q14832	GRM3_HUMAN				Investigational			"Amino Acids, Peptides, and Proteins"							347909943					LY2140023		
DB05097	Labetuzumab	BE0004224	CEACAM5	P06731	CEAM5_HUMAN	inhibitor	19789330	"Govindan SV, Cardillo TM, Moon SJ, Hansen HJ, Goldenberg DM: CEACAM5-targeted therapy of human colonic and pancreatic cancer xenografts with potent labetuzumab-SN-38 immunoconjugates. Clin Cancer Res. 2009 Oct 1;15(19):6052-61. doi: 10.1158/1078-0432.CCR-09-0586. Epub 2009 Sep 29."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347909944					Labetuzumab		
DB05098	Leptin	BE0003376	LEPR	P48357	LEPR_HUMAN				Investigational			"Biological Factors; Intercellular Signaling Peptides and Proteins; Peptide Hormones; Adipokines; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347909945					Leptin		1441651
DB05101	Matuzumab	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909947					Matuzumab		
DB05103	AN-9	BE0000246	BCL2	P10415	BCL2_HUMAN	downregulator	11380606	"Rabizadeh E, Bairey O, Aviram A, Ben-Dror I, Shaklai M, Zimra Y: Doxorubicin and a butyric acid derivative effectively reduce levels of BCL-2 protein in the cells of chronic lymphocytic leukemia patient. Eur J Haematol. 2001 Apr;66(4):263-71. doi: 10.1034/j.1600-0609.2001.066004263.x."	Investigational	Fatty acid esters	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"	CCCC(=O)OCOC(=O)C(C)(C)C						347827710						CHEMBL100014	
DB05103	AN-9	BE0003460	CASP8	Q14790	CASP8_HUMAN	regulator	16373710	"Entin-Meer M, Rephaeli A, Yang X, Nudelman A, VandenBerg SR, Haas-Kogan DA: Butyric acid prodrugs are histone deacetylase inhibitors that show antineoplastic activity and radiosensitizing capacity in the treatment of malignant gliomas. Mol Cancer Ther. 2005 Dec;4(12):1952-61. doi: 10.1158/1535-7163.MCT-05-0087."	Investigational	Fatty acid esters	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"	CCCC(=O)OCOC(=O)C(C)(C)C						347827710						CHEMBL100014	
DB05104	Asimadoline	BE0000632	OPRK1	P41145	OPRK_HUMAN				Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Acetates; Acids, Acyclic; Amides"	CN([C@H](CN1CC[C@H](O)C1)C1=CC=CC=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1						175426945					Asimadoline	CHEMBL1190199	
DB05115	NN344	BE0000033	INSR	P06213	INSR_HUMAN				Investigational			"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347909955							
DB05120	AT1391	BE0000033	INSR	P06213	INSR_HUMAN				Investigational										347909958							
DB05122	R1295	BE0000590	ITGA4	P13612	ITA4_HUMAN				Investigational										347909960							
DB05122	R1295	BE0003298	ITGB4	P16144	ITB4_HUMAN				Investigational										347909960							
DB05122	R1295	BE0003414	ITGB7	P26010	ITB7_HUMAN				Investigational										347909960							
DB05127	ANA971	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN				Investigational										347909964							
DB05129	Elsamitrucin	BE0000971	TOP1	P11387	TOP1_HUMAN				Investigational	Naphthopyranone glycosides	Organic compounds; Organoheterocyclic compounds; Naphthopyrans; Naphthopyranones	"Glycosides; Carbohydrates; Antibiotics, Antineoplastic; Antineoplastic Agents"	CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O						175426950					Elsamitrucin	CHEMBL2106409	
DB05131	TTP889	BE0000364	F9	P00740	FA9_HUMAN				Investigational										347909966							
DB05134	Tanespimycin	BE0001120	HSP90AA1	P07900	HS90A_HUMAN				Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	"Quinones; Protein-Serine-Threonine Kinases, antagonists & inhibitors; Lactams; HSP90 Heat-Shock Proteins, antagonists & inhibitors; Amides"	[H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC						347827713					Tanespimycin	CHEMBL109480	
DB05137	Lobeline	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		9833639	"Briggs CA, McKenna DG: Activation and inhibition of the human alpha7 nicotinic acetylcholine receptor by agonists. Neuropharmacology. 1998 Sep;37(9):1095-102."	Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cholinergic Agonists; Piperidines; Ganglionic Stimulants; Nicotinic Agonists; Neurotransmitter Agents; Alkaloids; Cholinergic Agents; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents	CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1						175426951	D02364				Lobeline	CHEMBL122270	6464
DB05139	CR002	BE0003411	PDGFD	Q9GZP0	PDGFD_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909972							
DB05146	XL820	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational										347909978							
DB05146	XL820	BE0000453	KIT	P10721	KIT_HUMAN				Investigational										347909978							
DB05146	XL820	BE0000852	PDGFRA	P16234	PGFRA_HUMAN				Investigational										347909978							
DB05147	CYT997	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN				Investigational										347909979							
DB05147	CYT997	BE0001388	TUBA1C	Q9BQE3	TBA1C_HUMAN				Investigational										347909979							
DB05147	CYT997	BE0001391	TUBA4A	P68366	TBA4A_HUMAN				Investigational										347909979							
DB05147	CYT997	BE0001408	TUBB4A	P04350	TBB4A_HUMAN				Investigational										347909979							
DB05147	CYT997	BE0000143	TUBB	P07437	TBB5_HUMAN				Investigational										347909979							
DB05147	CYT997	BE0003402	TUBB6	Q9BUF5	TBB6_HUMAN				Investigational										347909979							
DB05149	XL844	BE0003381	CHEK2	O96017	CHK2_HUMAN				Investigational										347909981							
DB05149	XL844	BE0003382	CHEK1	O14757	CHK1_HUMAN				Investigational										347909981							
DB05150	CAD106	BE0003392	APP	P05067	A4_HUMAN				Investigational										347909982							
DB05155	CR665	BE0000632	OPRK1	P41145	OPRK_HUMAN				Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Amino Acids, Peptides, and Proteins"	CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1=CC=NC=C1						347827714					CR665		
DB05157	KC706	BE0001019	MAPK14	Q16539	MK14_HUMAN				Investigational										347909986							
DB05161	Elafin	BE0000394	ELANE	P08246	ELNE_HUMAN				Investigational			"Protease Inhibitors; Enzyme Inhibitors; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Proteinase Inhibitory Proteins, Secretory"							347909990					Elafin		
DB05161	Elafin	BE0000954	PRTN3	P24158	PRTN3_HUMAN				Investigational			"Protease Inhibitors; Enzyme Inhibitors; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Proteinase Inhibitory Proteins, Secretory"							347909990					Elafin		
DB05168	Vintafolide	BE0000652	FOLR3	P41439	FOLR3_HUMAN				Investigational	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"Secologanin Tryptamine Alkaloids; Pteridines; Antineoplastic and Immunomodulating Agents; Vinca Alkaloids; Heterocyclic Compounds, Fused-Ring; Indolizidines; Indole Alkaloids; Pterins; Alkaloids; Indolizines; Indoles; Antineoplastic Agents"	[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC						347827715					EC145	CHEMBL3039521	
DB05177	DG051	BE0001680	LTA4H	P09960	LKHA4_HUMAN				Investigational										347910001							
DB05183	MLN0415	BE0001154	IKBKB	O14920	IKKB_HUMAN				Investigational										347910007							
DB05184	XL228	BE0000858	IGF1R	P08069	IGF1R_HUMAN				Investigational										347910008							
DB05184	XL228	BE0000435	ABL2	P42684	ABL2_HUMAN				Investigational										347910008							
DB05187	Elafibranor	BE0000071	PPARA	Q07869	PPARA_HUMAN				Investigational	Retrochalcones	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones"	"Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids"	CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1						347827716					Elafibranor	CHEMBL3707395	
DB05187	Elafibranor	BE0001007	PPARD	Q03181	PPARD_HUMAN				Investigational	Retrochalcones	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones"	"Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids"	CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1						347827716					Elafibranor	CHEMBL3707395	
DB05187	Elafibranor	BE0000215	PPARG	P37231	PPARG_HUMAN				Investigational	Retrochalcones	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones"	"Fatty Acids, Volatile; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Ketones; Lipids; Propiophenones; Acids, Acyclic; Fatty Acids; PPAR delta, agonists; Pyrans; PPAR alpha, agonists; Flavonoids"	CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1						347827716					Elafibranor	CHEMBL3707395	
DB05188	KD3010	BE0001007	PPARD	Q03181	PPARD_HUMAN				Investigational			"Sulfones; Sulfur Compounds; Amides; PPAR delta, antagonists & inhibitors"	CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O						347910010							
DB05190	XL281	BE0000634	BRAF	P15056	BRAF_HUMAN				Investigational										347910012							
DB05190	XL281	BE0000036	RAF1	P04049	RAF1_HUMAN				Investigational										347910012							
DB05192	MB07811	BE0000315	THRB	P10828	THB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational			Organophosphorus Compounds							347910014							
DB05194	KB002	BE0000628	CSF2RA	P15509	CSF2R_HUMAN				Investigational										347910015							
DB05194	KB002	BE0002481	CSF2	P04141	CSF2_HUMAN				Investigational										347910015							
DB05198	CYC116	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational			Sulfur Compounds; Protein Kinase Inhibitors							347910018							
DB05200	AT2220	BE0000876	GAA	P10253	LYAG_HUMAN				Investigational										347910020							
DB05202	Egaptivon pegol	BE0001043	VWF	P04275	VWF_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Pegylated agents"							347910022							
DB05203	SPP1148	BE0000270	REN	P00797	RENI_HUMAN				Investigational										347910023							
DB05203	SPP1148	BE0000982	ACE2	Q9BYF1	ACE2_HUMAN				Investigational										347910023							
DB05207	SD118	BE0000565	IL1R1	P14778	IL1R1_HUMAN				Investigational										347910026							
DB05210	SF1126	BE0000955	PIK3R1	P27986	P85A_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins"							347910028							
DB05210	SF1126	BE0002384	PIK3R3	Q92569	P55G_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins"							347910028							
DB05210	SF1126	BE0002385	PRKDC	P78527	PRKDC_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins"							347910028							
DB05210	SF1126	BE0002386	MTOR	P42345	MTOR_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Benzopyrans; Peptides; Pyrans; Amino Acids, Peptides, and Proteins"							347910028							
DB05212	HE3286	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Fused-Ring Compounds; Androstenols; Gonadal Steroid Hormones; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Ketosteroids; Cytochrome P-450 CYP3A Substrates; Androstanes; 17-Ketosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Androstenes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C						347827717							
DB05217	GMX1777	BE0002413	NAMPT	P43490	NAMPT_HUMAN	inhibitor	21144000	"Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677."	Investigational			Amidines							347910031							
DB05219	Crisaborole	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	22841723	"Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors"	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2					22959	175426957	D10873				Crisaborole	CHEMBL484785	1865953
DB05219	Crisaborole	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	22841723	"Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors"	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2					22959	175426957	D10873				Crisaborole	CHEMBL484785	1865953
DB05219	Crisaborole	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	inhibitor	22841723	"Freund YR, Akama T, Alley MR, Antunes J, Dong C, Jarnagin K, Kimura R, Nieman JA, Maples KR, Plattner JJ, Rock F, Sharma R, Singh R, Sanders V, Zhou Y: Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. FEBS Lett. 2012 Sep 21;586(19):3410-4. doi: 10.1016/j.febslet.2012.07.058. Epub 2012 Jul 25."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (moderate); Phosphodiesterase 4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Agents for Dermatitis, Excluding Corticosteroids; Cytochrome P-450 CYP2C9 Inhibitors (moderate); Dermatologicals; Cytochrome P-450 CYP2C9 Inhibitors; Phosphodiesterase Inhibitors"	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2					22959	175426957	D10873				Crisaborole	CHEMBL484785	1865953
DB05223	Pracinostat	BE0002365	HDAC1	Q13547	HDAC1_HUMAN				Investigational	Cinnamic acids and derivatives	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives	"Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents"	CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC						347827719					Pracinostat	CHEMBL1851943	
DB05223	Pracinostat	BE0002366	HDAC2	Q92769	HDAC2_HUMAN				Investigational	Cinnamic acids and derivatives	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives	"Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents"	CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC						347827719					Pracinostat	CHEMBL1851943	
DB05225	AM103	BE0002382	ALOX5AP	P20292	AL5AP_HUMAN	inhibitor	19876784	Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72.	Investigational			"Fatty Acids, Volatile; Heterocyclic Compounds, Fused-Ring; Lipids; Acids, Acyclic; Fatty Acids"							347910035							
DB05232	Tetrodotoxin	BE0000141	SCN1A	P35498	SCN1A_HUMAN		17663442	"Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78."	Investigational	Tetrodotoxins	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines"	[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO						175426959					Tetrodotoxin		
DB05232	Tetrodotoxin	BE0002081	SCN2A	Q99250	SCN2A_HUMAN		17663442	"Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78."	Investigational	Tetrodotoxins	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines"	[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO						175426959					Tetrodotoxin		
DB05232	Tetrodotoxin	BE0002082	SCN3A	Q9NY46	SCN3A_HUMAN		17663442	"Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78."	Investigational	Tetrodotoxins	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines"	[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO						175426959					Tetrodotoxin		
DB05232	Tetrodotoxin	BE0002084	SCN8A	Q9UQD0	SCN8A_HUMAN		17663442	"Sage D, Salin P, Alcaraz G, Castets F, Giraud P, Crest M, Mazet B, Clerc N: Na(v)1.7 and Na(v)1.3 are the only tetrodotoxin-sensitive sodium channels expressed by the adult guinea pig enteric nervous system. J Comp Neurol. 2007 Oct 1;504(4):363-78."	Investigational	Tetrodotoxins	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sodium Channel Blockers; Sensory System Agents; Noxae; Poisons; Cardiovascular Agents; Marine Toxins; Central Nervous System Depressants; Toxins, Biological; Anesthetics; Membrane Transport Modulators; Biological Factors; Anesthetics, Local; Heterocyclic Compounds, Fused-Ring; Peripheral Nervous System Agents; Compounds used in a research, industrial, or household setting; Central Nervous System Agents; Toxic Actions; Quinazolines"	[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO						175426959					Tetrodotoxin		
DB05233	AP1081	BE0000123	ESR1	P03372	ESR1_HUMAN				Investigational										347910040							
DB05235	NRP409	BE0000104	CRYM	Q14894	CRYM_HUMAN				Investigational										347910041							
DB05239	Cobimetinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN	inhibitor	26384788	"Singh A, Ruan Y, Tippett T, Narendran A: Targeted inhibition of MEK1 by cobimetinib leads to differentiation and apoptosis in neuroblastoma cells. J Exp Clin Cancer Res. 2015 Sep 18;34:104. doi: 10.1186/s13046-015-0222-x."	Approved; Investigational	Anthranilamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT2B7 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1					22695	310264856	D10405	PA166160044			Cobimetinib	CHEMBL2146883	1722365
DB05241	XL765	BE0002379	PIK3CA	P42336	PK3CA_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides"							347910044							
DB05241	XL765	BE0002406	PIK3CD	O00329	PK3CD_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides"							347910044							
DB05241	XL765	BE0002407	PIK3CB	P42338	PK3CB_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides"							347910044							
DB05241	XL765	BE0002386	MTOR	P42345	MTOR_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides"							347910044							
DB05243	XL019	BE0002408	JAK2	O60674	JAK2_HUMAN				Investigational										347910046							
DB05246	Methsuximide	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	11641441; 2545161; 19005061; 11274992	"Gomora JC, Daud AN, Weiergraber M, Perez-Reyes E: Block of cloned human T-type calcium channels by succinimide antiepileptic drugs. Mol Pharmacol. 2001 Nov;60(5):1121-32.@@Coulter DA, Huguenard JR, Prince DA: Characterization of ethosuximide reduction of low-threshold calcium current in thalamic neurons. Ann Neurol. 1989 Jun;25(6):582-93.@@Wang G, Thompson SM: Maladaptive homeostatic plasticity in a rodent model of central pain syndrome: thalamic hyperexcitability after spinothalamic tract lesions. J Neurosci. 2008 Nov 12;28(46):11959-69. doi: 10.1523/JNEUROSCI.3296-08.2008.@@Matthews EA, Dickenson AH: Effects of ethosuximide, a T-type Ca(2+) channel blocker, on dorsal horn neuronal responses in rats. Eur J Pharmacol. 2001 Mar;415(2-3):141-9."	Approved	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines	QTc Prolonging Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Calcium Channel Blockers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Substrates; Potential QTc-Prolonging Agents; Succinimide Derivatives; Pyrrolidines; Antiarrhythmic agents; Central Nervous System Agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Pyrrolidinones; Imides; Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants	CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1					6367	46505339	D00404	PA164743145		DAP001253	Mesuximide	CHEMBL697	47858
DB05253	Telapristone acetate	BE0000557	PGR	P06401	PRGR_HUMAN				Investigational			Fused-Ring Compounds; Norpregnanes; Norsteroids; Steroids	[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]						347910049					Proellex	CHEMBL2105694	
DB05255	Ronacaleret	BE0000509	CASR	P41180	CASR_HUMAN	antagonist	21593114	"Fitzpatrick LA, Dabrowski CE, Cicconetti G, Gordon DN, Papapoulos S, Bone HG 3rd, Bilezikian JP: The effects of ronacaleret, a calcium-sensing receptor antagonist, on bone mineral density and biochemical markers of bone turnover in postmenopausal women with low bone mineral density. J Clin Endocrinol Metab. 2011 Aug;96(8):2441-9. doi: 10.1210/jc.2010-2855. Epub 2011 May 18."	Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Indenes; Acids, Carbocyclic"	CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F						347827720						CHEMBL1198855	
DB05258	Interferon alfa	BE0000661	IFNAR1	P17181	INAR1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunosuppressive Agents; Anti-Infective Agents; Myelosuppressive Agents; Antiviral Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Peptides; Interferon Type I; Cytochrome P-450 CYP1A2 Inhibitors; Cytokines; Proteins; Interferons; Interferon-alpha; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"							347910052					Interferon		
DB05260	Gallium nitrate	BE0002450	RRM2	P31350	RIR2_HUMAN	inhibitor	15651176; 1335254; 12776257; 11329118	"Chitambar CR: Apoptotic mechanisms of gallium nitrate: basic and clinical investigations. Oncology (Williston Park). 2004 Nov;18(13 Suppl 10):39-44.@@Narasimhan J, Antholine WE, Chitambar CR: Effect of gallium on the tyrosyl radical of the iron-dependent M2 subunit of ribonucleotide reductase. Biochem Pharmacol. 1992 Dec 15;44(12):2403-8.@@Straus DJ: Gallium nitrate in the treatment of lymphoma. Semin Oncol. 2003 Apr;30(2 Suppl 5):25-33.@@Apseloff G: Therapeutic uses of gallium nitrate: past, present, and future. Am J Ther. 1999 Nov;6(6):327-39. doi: 10.1097/00045391-199911000-00008."	Approved; Investigational	Post-transition metal nitrates	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal nitrates	"Immunosuppressive Agents; Metals; Elements; Calcium-Regulating Hormones and Agents; Bone Resorption Inhibition; Calcium Resorption Inhibitor; Narrow Therapeutic Index Drugs; Metals, Heavy; Antineoplastic Agents"	[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O						46508923		PA164781198		DAP001096	Gallium_nitrate	CHEMBL1200983	25544
DB05262	Oxypurinol	BE0002204	XDH	P47989	XDH_HUMAN		16135657; 16214034	"Iwanaga T, Kobayashi D, Hirayama M, Maeda T, Tamai I: Involvement of uric acid transporter in increased renal clearance of the xanthine oxidase inhibitor oxypurinol induced by a uricosuric agent, benzbromarone. Drug Metab Dispos. 2005 Dec;33(12):1791-5. Epub 2005 Aug 31.@@Baldus S, Koster R, Chumley P, Heitzer T, Rudolph V, Ostad MA, Warnholtz A, Staude HJ, Thuneke F, Koss K, Berger J, Meinertz T, Freeman BA, Munzel T: Oxypurinol improves coronary and peripheral endothelial function in patients with coronary artery disease. Free Radic Biol Med. 2005 Nov 1;39(9):1184-90. Epub 2005 Aug 10."	Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	Enzyme Inhibitors; Pyrazoles; Xanthine Oxidase Inhibitors; Pyrimidines	O=C1NC2=C(C=NN2)C(=O)N1						175426963	D02365				Oxipurinol	CHEMBL859	
DB05264	NPI 32101	BE0002115	CSF2RB	P32927	IL3RB_HUMAN		17436088	"Bhol KC, Schechter PJ: Effects of nanocrystalline silver (NPI 32101) in a rat model of ulcerative colitis. Dig Dis Sci. 2007 Oct;52(10):2732-42. Epub 2007 Apr 12."	Investigational										347910053							
DB05266	Ibudilast	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	20124930; 21036126; 16313925	"Yagi K, Tada Y, Kitazato KT, Tamura T, Satomi J, Nagahiro S: Ibudilast inhibits cerebral aneurysms by down-regulating inflammation-related molecules in the vascular wall of rats. Neurosurgery. 2010 Mar;66(3):551-9; discussion 559. doi: 10.1227/01.NEU.0000365771.89576.77.@@Yamazaki T, Anraku T, Matsuzawa S: Ibudilast, a mixed PDE3/4 inhibitor, causes a selective and nitric oxide/cGMP-independent relaxation of the intracranial vertebrobasilar artery. Eur J Pharmacol. 2011 Jan 15;650(2-3):605-11. doi: 10.1016/j.ejphar.2010.10.033.  Epub 2010 Oct 29.@@Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28."	Investigational	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines	"Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors"	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C						99443231		PA165958351			Ibudilast	CHEMBL19449	
DB05266	Ibudilast	BE0000487	PDE4B	Q07343	PDE4B_HUMAN	inhibitor	16313925	"Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28."	Investigational	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines	"Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors"	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C						99443231		PA165958351			Ibudilast	CHEMBL19449	
DB05266	Ibudilast	BE0001287	PDE4D	Q08499	PDE4D_HUMAN	inhibitor	16313925	"Huang Z, Liu S, Zhang L, Salem M, Greig GM, Chan CC, Natsumeda Y, Noguchi K: Preferential inhibition of human phosphodiesterase 4 by ibudilast. Life Sci. 2006 May 1;78(23):2663-8. Epub 2005 Nov 28."	Investigational	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines	"Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors"	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C						99443231		PA165958351			Ibudilast	CHEMBL19449	
DB05266	Ibudilast	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	21036126	"Yamazaki T, Anraku T, Matsuzawa S: Ibudilast, a mixed PDE3/4 inhibitor, causes a selective and nitric oxide/cGMP-independent relaxation of the intracranial vertebrobasilar artery. Eur J Pharmacol. 2011 Jan 15;650(2-3):605-11. doi: 10.1016/j.ejphar.2010.10.033.  Epub 2010 Oct 29."	Investigational	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines	"Cardiovascular Agents; Leukotriene Antagonists; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Vasodilating Agents; Anti-Asthmatic Agents; Hematologic Agents; Phosphodiesterase 5 Inhibitors; Bronchodilator Agents; Drugs for Obstructive Airway Diseases; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Antiplatelet agents; Phosphodiesterase Inhibitors"	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C						99443231		PA165958351			Ibudilast	CHEMBL19449	
DB05268	iCo-007	BE0000036	RAF1	P04049	RAF1_HUMAN				Investigational										347910054							
DB05271	Rotigotine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	18691132	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved	Tetralins	Organic compounds; Benzenoids; Tetralins	Cytochrome P-450 CYP2D6 Inhibitors; Nonergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dopamine Agonists; Serotonin Agents; Anti-Parkinson Agents (Dopamine Agonist); Naphthalenes; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Sulfur Compounds; Dopamine Agents	CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1					12548	99443232	D05768	PA166165149			Rotigotine	CHEMBL1303	616739
DB05271	Rotigotine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	18691132	"Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67."	Approved	Tetralins	Organic compounds; Benzenoids; Tetralins	Cytochrome P-450 CYP2D6 Inhibitors; Nonergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents; Hypotensive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP2D6 Substrates; Anti-Parkinson Drugs; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dopamine Agonists; Serotonin Agents; Anti-Parkinson Agents (Dopamine Agonist); Naphthalenes; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Sulfur Compounds; Dopamine Agents	CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1					12548	99443232	D05768	PA166165149			Rotigotine	CHEMBL1303	616739
DB05284	CA4P	BE0000143	TUBB	P07437	TBB5_HUMAN				Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1						175426964					Combretastatin		
DB05290	SPP 301	BE0000521	EDNRA	P25101	EDNRA_HUMAN				Investigational										347910059							
DB05294	Vandetanib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1					21141	175426969	D06407	PA166118341			Vandetanib	CHEMBL24828	1098413
DB05294	Vandetanib	BE0003379	TEK	Q02763	TIE2_HUMAN	inhibitor			Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1					21141	175426969	D06407	PA166118341			Vandetanib	CHEMBL24828	1098413
DB05294	Vandetanib	BE0002411	RET	P07949	RET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1					21141	175426969	D06407	PA166118341			Vandetanib	CHEMBL24828	1098413
DB05295	Eldecalcitol	BE0000779	VDR	P11473	VDR_HUMAN				Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Fused-Ring Compounds; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Bone Density Conservation Agents; Steroids; Secosteroids	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O						175426970					Eldecalcitol		
DB05297	Paclitaxel docosahexaenoic acid	BE0000246	BCL2	P10415	BCL2_HUMAN				Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Cycloparaffins; Diterpenes; Cyclodecanes; Taxoids; Terpenes	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1						175426972					DHA-paclitaxel	CHEMBL4297441	
DB05298	Tetomilast	BE0001287	PDE4D	Q08499	PDE4D_HUMAN				Investigational	Pyridinecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	Sulfur Compounds	CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O						175426973						CHEMBL332750	
DB05301	LAX-101	BE0002181	PLD1	Q13393	PLD1_HUMAN				Investigational										347910064							
DB05303	OMS-103HP	BE0000565	IL1R1	P14778	IL1R1_HUMAN				Investigational			"Phenylpropionates; Pharmaceutical Preparations; Acids, Carbocyclic; Dibenzocycloheptenes; Benzocycloheptenes; Imidazoles"							347910065							
DB05309	TP-508	BE0000326	FGF4	P08620	FGF4_HUMAN				Investigational										347910071							
DB05311	Ecallantide	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	18613770	"Lehmann A: Ecallantide (DX-88), a plasma kallikrein inhibitor for the treatment of hereditary angioedema and the prevention of blood loss in on-pump cardiothoracic surgery. Expert Opin Biol Ther. 2008 Aug;8(8):1187-99. doi: 10.1517/14712598.8.8.1187 ."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Sensory System Agents; Drugs Used in Hereditary Angioedema; Kallikrein Inhibitors; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Anti-Inflammatory Agents; Blood and Blood Forming Organs; Kallikreins, antagonists & inhibitors; Analgesics, Non-Narcotic; Plasma Kallikrein Inhibitor; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics"							347910073					Ecallantide	CHEMBL1201837	658708
DB05316	Pimavanserin	BE0000533	HTR2C	P28335	5HT2C_HUMAN	inverse agonist	27503570	Stahl SM: Mechanism of action of pimavanserin in Parkinson's disease psychosis: targeting serotonin 5HT2A and 5HT2C receptors. CNS Spectr. 2016 Aug;21(4):271-5. doi: 10.1017/S1092852916000407.	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Psycholeptics; Serotonin Agents; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Nervous System; Amides; Serotonin Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antidepressive Agents; Neurotoxic agents	CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1						175426976					Pimavanserin	CHEMBL2111101	1791685
DB05317	TAK-475	BE0002444	FDFT1	P37268	FDFT_HUMAN				Investigational			"Farnesyl-Diphosphate Farnesyltransferase, antagonists & inhibitors; Azepines"							347910077							
DB05317	TAK-475	BE0000574	HMGCR	P04035	HMDH_HUMAN				Investigational			"Farnesyl-Diphosphate Farnesyltransferase, antagonists & inhibitors; Azepines"							347910077							
DB05327	Ranirestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN				Investigational	Fluorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Enzyme Inhibitors; Aldehyde Reductase, antagonists & inhibitors"	FC1=C(CN2C(=O)C3=CC=CN3[C@@]3(CC(=O)NC3=O)C2=O)C=CC(Br)=C1						175426978					Ranirestat	CHEMBL334830	
DB05345	SO-101	BE0000442	HRH1	P35367	HRH1_HUMAN				Investigational										347910093							
DB05351	Dexlansoprazole	BE0000349	ATP4A	P20648	ATP4A_HUMAN	inhibitor	23350044	"Shin JM, Kim N: Pharmacokinetics and pharmacodynamics of the proton pump inhibitors. J Neurogastroenterol Motil. 2013 Jan;19(1):25-35. doi: 10.5056/jnm.2013.19.1.25. Epub 2013 Jan 8."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1					20625	347827723		PA166110257			Dexlansoprazole	CHEMBL1201863	816346
DB05351	Dexlansoprazole	BE0000766	DDAH1	O94760	DDAH1_HUMAN		23825361; 28588208	"Ghebremariam YT, LePendu P, Lee JC, Erlanson DA, Slaviero A, Shah NH, Leiper J, Cooke JP: Unexpected effect of proton pump inhibitors: elevation of the cardiovascular risk factor asymmetric dimethylarginine. Circulation. 2013 Aug 20;128(8):845-53. doi: 10.1161/CIRCULATIONAHA.113.003602. Epub 2013 Jul 3.@@Tommasi S, Elliot DJ, Hulin JA, Lewis BC, McEvoy M, Mangoni AA: Human dimethylarginine dimethylaminohydrolase 1 inhibition by proton pump inhibitors and the cardiovascular risk marker asymmetric dimethylarginine: in vitro and in vivo significance. Sci Rep. 2017 Jun 6;7(1):2871. doi: 10.1038/s41598-017-03069-1."	Approved; Investigational	Sulfinylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Sulfinylbenzimidazoles	"Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Drugs for Acid Related Disorders; Gastrointestinal Agents; Pyridines; 2-Pyridinylmethylsulfinylbenzimidazoles; Anti-Ulcer Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Sulfoxides; Heterocyclic Compounds, Fused-Ring; Gastric Acid Lowering Agents; Cytochrome P-450 CYP3A4 Substrates; Proton Pump Inhibitors; Acid Reducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Benzimidazoles; Proton-pump Inhibitors"	CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1					20625	347827723		PA166110257			Dexlansoprazole	CHEMBL1201863	816346
DB05367	Actelion-1	BE0000521	EDNRA	P25101	EDNRA_HUMAN				Investigational			Endothelin A Receptor Antagonists; Sulfones; Endothelin B Receptor Antagonists; Endothelin Receptor Antagonists; Sulfur Compounds; Amides							347910103							
DB05369	HZT-501	BE0000112	HRH2	P25021	HRH2_HUMAN				Investigational										347910105							
DB05374	Rindopepimut	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational			"Biological Products; Complex Mixtures; Antineoplastic Agents, Immunological; Antineoplastic Agents; Vaccines"							347910109					Rindopepimut		
DB05381	Histamine	BE0000442	HRH1	P35367	HRH1_HUMAN	agonist	16648669; 17114052; 17222324; 17336292; 17478759	"Miyoshi K, Das AK, Fujimoto K, Horio S, Fukui H: Recent advances in molecular pharmacology of the histamine systems: regulation of histamine H1 receptor signaling by changing its expression level. J Pharmacol Sci. 2006 May;101(1):3-6. Epub 2006 Apr 28.@@Han SK, Mancino V, Simon MI: Phospholipase Cbeta 3 mediates the scratching response activated by the histamine H1 receptor on C-fiber nociceptive neurons. Neuron. 2006 Nov 22;52(4):691-703.@@Spahr L, Coeytaux A, Giostra E, Hadengue A, Annoni JM: Histamine H1 blocker hydroxyzine improves sleep in patients with cirrhosis and minimal hepatic encephalopathy: a randomized controlled pilot trial. Am J Gastroenterol. 2007 Apr;102(4):744-53. Epub 2007 Jan 11.@@Suzuki K, Morokata T, Morihira K, Sato I, Takizawa S, Kaneko M, Takahashi K, Shimizu Y: A dual antagonist for chemokine CCR3 receptor and histamine H1 receptor. Eur J Pharmacol. 2007 Jun 1;563(1-3):224-32. Epub 2007 Feb 8.@@Tanimoto A, Wang KY, Murata Y, Kimura S, Nomaguchi M, Nakata S, Tsutsui M, Sasaguri Y: Histamine upregulates the expression of inducible nitric oxide synthase in human intimal smooth muscle cells via histamine H1 receptor and NF-kappaB signaling pathway. Arterioscler Thromb Vasc Biol. 2007 Jul;27(7):1556-61. Epub 2007 May 3."	Approved; Investigational	2-arylethylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Inflammation Mediators; OCT2 Inhibitors; Amines; Gastric Function; Biogenic Amines; Adjuvants, Immunologic; OCT2 Substrates; OCT1 substrates; Histamine Agonists; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Other Diagnostics; Biological Factors; Diagnostic Agents; Antineoplastic and Immunomodulating Agents; Biogenic Monoamines; Neurotransmitter Agents; Autacoids; Histamine Agents; Ethylamines"	NCCC1=CNC=N1					9352	175426988	D08040	PA449880			Histamine	CHEMBL90	5333
DB05381	Histamine	BE0000112	HRH2	P25021	HRH2_HUMAN	agonist	17334413; 17359382; 11752352	"Francis H, Franchitto A, Ueno Y, Glaser S, DeMorrow S, Venter J, Gaudio E, Alvaro D, Fava G, Marzioni M, Vaculin B, Alpini G: H3 histamine receptor agonist inhibits biliary growth of BDL rats by downregulation of the cAMP-dependent PKA/ERK1/2/ELK-1 pathway. Lab Invest. 2007 May;87(5):473-87. Epub 2007 Mar 5.@@Soga F, Katoh N, Kishimoto S: Histamine prevents apoptosis in human monocytes. Clin Exp Allergy. 2007 Mar;37(3):323-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	2-arylethylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Inflammation Mediators; OCT2 Inhibitors; Amines; Gastric Function; Biogenic Amines; Adjuvants, Immunologic; OCT2 Substrates; OCT1 substrates; Histamine Agonists; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Other Diagnostics; Biological Factors; Diagnostic Agents; Antineoplastic and Immunomodulating Agents; Biogenic Monoamines; Neurotransmitter Agents; Autacoids; Histamine Agents; Ethylamines"	NCCC1=CNC=N1					9352	175426988	D08040	PA449880			Histamine	CHEMBL90	5333
DB05381	Histamine	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	agonist	20632959; 20618322; 20573261	"Blaya B, Nicolau-Galmes F, Jangi SM, Ortega-Martinez I, Alonso-Tejerina E, Burgos-Bretones J, Perez-Yarza G, Asumendi A, Boyano MD: Histamine and histamine receptor antagonists in cancer biology. Inflamm Allergy Drug Targets. 2010 Jul;9(3):146-57.@@Yu B, Shao Y, Li P, Zhang J, Zhong Q, Yang H, Hu X, Chen B, Peng X, Wu Q, Chen Y, Guan M, Wan J, Zhang W: Copy number variations of the human histamine H4 receptor gene are associated with systemic lupus erythematosus. Br J Dermatol. 2010 Nov;163(5):935-40. doi: 10.1111/j.1365-2133.2010.09928.x.@@Cowden JM, Riley JP, Ma JY, Thurmond RL, Dunford PJ: Histamine H4 receptor antagonism diminishes existing airway inflammation and dysfunction via modulation of Th2 cytokines. Respir Res. 2010 Jun 24;11:86. doi: 10.1186/1465-9921-11-86."	Approved; Investigational	2-arylethylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Inflammation Mediators; OCT2 Inhibitors; Amines; Gastric Function; Biogenic Amines; Adjuvants, Immunologic; OCT2 Substrates; OCT1 substrates; Histamine Agonists; Tests for Gastric Secretion; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Imidazoles; Other Diagnostics; Biological Factors; Diagnostic Agents; Antineoplastic and Immunomodulating Agents; Biogenic Monoamines; Neurotransmitter Agents; Autacoids; Histamine Agents; Ethylamines"	NCCC1=CNC=N1					9352	175426988	D08040	PA449880			Histamine	CHEMBL90	5333
DB05383	Pimagedine	BE0000747	AKR1B1	P15121	ALDR_HUMAN				Investigational	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	"OCT2 Inhibitors; Enzyme Inhibitors; Amidines; Nitric Oxide Synthase, antagonists & inhibitors"	NNC(N)=N						175426990					Pimagedine	CHEMBL225304	1311670
DB05386	Regramostim	BE0000628	CSF2RA	P15509	CSF2R_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Granulocyte-Macrophage Colony-Stimulating Factor; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Carbohydrates; Cholinesterase Inhibitors; Peptides; Proteins; Cytokines; Glycoconjugates; Amino Acids, Peptides, and Proteins; Hematopoietic Cell Growth Factors; Glycoproteins"							347910111							
DB05387	Neovastat	BE0000642	MMP2	P08253	MMP2_HUMAN				Investigational			Complex Mixtures; Cartilage							347910112					Shark_cartilage		
DB05387	Neovastat	BE0001198	MMP12	P39900	MMP12_HUMAN				Investigational			Complex Mixtures; Cartilage							347910112					Shark_cartilage		
DB05389	Tetrachlorodecaoxide	BE0003374	MAEA	Q7L5Y9	MAEA_HUMAN				Approved; Investigational	Non-metal chlorites	Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal chlorites	"Halogens; Anions; Radiation-Protective Agents; Gases; Ions; Oxygen Compounds; Elements; Protective Agents; Electrolytes; Compounds used in a research, industrial, or household setting"	O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O						175426992					WF10	CHEMBL3707387	
DB05389	Tetrachlorodecaoxide	BE0003375	CD163	Q86VB7	C163A_HUMAN				Approved; Investigational	Non-metal chlorites	Inorganic compounds; Homogeneous non-metal compounds; Non-metal oxoanionic compounds; Non-metal chlorites	"Halogens; Anions; Radiation-Protective Agents; Gases; Ions; Oxygen Compounds; Elements; Protective Agents; Electrolytes; Compounds used in a research, industrial, or household setting"	O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O						175426992					WF10	CHEMBL3707387	
DB05408	Emricasan	BE0001826	CASP7	P55210	CASP7_HUMAN				Investigational	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Fatty Acids, Volatile; Valerates; Lipids; Acids, Acyclic; Fatty Acids"	C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F						347827726					Emricasan	CHEMBL197672	
DB05412	Talmapimod	BE0001019	MAPK14	Q16539	MK14_HUMAN				Investigational	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Heterocyclic Compounds, Fused-Ring"	[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1						347827727						CHEMBL514201	
DB05415	OSI-461	BE0000182	PDE5A	O76074	PDE5A_HUMAN				Investigational			Indenes; Phosphodiesterase Inhibitors							347910126							
DB05416	Cardarine	BE0001007	PPARD	Q03181	PPARD_HUMAN	agonist	23391484; 23843199	"Buhrke T, Kibellus A, Lampen A: In vitro toxicological characterization of perfluorinated carboxylic acids with different carbon chain lengths. Toxicol Lett. 2013 Apr 12;218(2):97-104. doi: 10.1016/j.toxlet.2013.01.025. Epub  2013 Feb 4.@@Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	Sulfur Compounds	CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F						175426999					GW501516	CHEMBL38943	
DB05416	Cardarine	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	23843199	"Sarath Josh MK, Pradeep S, Vijayalekshmi Amma KS, Balachandran S, Abdul Jaleel UC, Doble M, Spener F, Benjamin S: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor alpha, beta, gamma subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11."	Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	Sulfur Compounds	CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F						175426999					GW501516	CHEMBL38943	
DB05417	GW 468816	BE0000433	GLRA1	P23415	GLRA1_HUMAN				Investigational			"Receptors, N-Methyl-D-Aspartate, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"							347910127							
DB05418	GW 597599	BE0000384	TACR1	P25103	NK1R_HUMAN				Investigational										347910128							
DB05421	CP-122721	BE0000384	TACR1	P25103	NK1R_HUMAN				Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines		COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1						347827729						CHEMBL319118	
DB05422	OPC-14523	BE0000749	SLC6A4	P31645	SC6A4_HUMAN				Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Quinolines; Heterocyclic Compounds, Fused-Ring"	COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1						347910130						CHEMBL294144	
DB05423	ORG-34517	BE0000794	NR3C1	P04150	GCR_HUMAN				Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Fused-Ring Compounds; Heterocyclic Compounds, Fused-Ring; Receptors, Glucocorticoid, antagonists & inhibitors; Dioxoles"	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H]						347827730							
DB05424	Canertinib	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cardiovascular Agents; Sensory System Agents; Central Nervous System Agents; Central Nervous System Depressants; Oxazines; Protective Agents; Anesthetics; Compounds used in a research, industrial, or household setting; Acids, Acyclic; Tyrosine Kinase Inhibitors; Peripheral Nervous System Agents; Antineoplastic Agents; Cardiotonic Agents"	FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1						175427000					Canertinib	CHEMBL31965	
DB05428	Motexafin gadolinium	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN				Investigational			"Diagnostic Uses of Chemicals; Coordination Complexes; Contrast Media; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Dermatologicals; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO						175427002					Motexafin_gadolinium		
DB05428	Motexafin gadolinium	BE0002450	RRM2	P31350	RIR2_HUMAN				Investigational			"Diagnostic Uses of Chemicals; Coordination Complexes; Contrast Media; Biological Factors; Heterocyclic Compounds, Fused-Ring; Photosensitizing Agents; Dermatologicals; Porphyrins; Radiation-Sensitizing Agents; Pigments, Biological; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO						175427002					Motexafin_gadolinium		
DB05434	ABT-510	BE0001015	FGF2	P09038	FGF2_HUMAN				Investigational	Peptoid-peptide hybrids	Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids	"Amino Acids, Peptides, and Proteins; Peptides"	CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC						175427003					ABT-510	CHEMBL386115	
DB05434	ABT-510	BE0001121	HGF	P14210	HGF_HUMAN				Investigational	Peptoid-peptide hybrids	Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids	"Amino Acids, Peptides, and Proteins; Peptides"	CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC						175427003					ABT-510	CHEMBL386115	
DB05443	ADL 10-0101	BE0000632	OPRK1	P41145	OPRK_HUMAN				Investigational										347910142							
DB05447	AVI-4557	BE0004019	HNF4A	P41235	HNF4A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational										347910144							
DB05448	PX-12	BE0001979	TXNRD1	Q16881	TRXR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	Anions; Hydrogen Sulfide; Ions; Sulfides; Sulfur Compounds; Electrolytes	CCC(C)SSC1=NC=CN1						175427007						CHEMBL406050	
DB05449	FM-VP4	BE0001032	ABCB1	P08183	MDR1_HUMAN				Investigational										347910145							
DB05451	P54	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational										347910147					P54		
DB05458	Pozanicline	BE0000849	CHRNA4	P43681	ACHA4_HUMAN				Investigational	Alkyl aryl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CC1=C(OC[C@@H]2CCCN2)C=CC=N1						175427009					Pozanicline	CHEMBL127071	
DB05458	Pozanicline	BE0000850	CHRNB2	P17787	ACHB2_HUMAN				Investigational	Alkyl aryl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CC1=C(OC[C@@H]2CCCN2)C=CC=N1						175427009					Pozanicline	CHEMBL127071	
DB05464	NOX-700	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational			"Sulfur Compounds; Acids, Acyclic; Carbamates"							347910153							
DB05465	Tandutinib	BE0000147	FLT3	P36888	FLT3_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Tyrosine Kinase Inhibitors"	COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1						175427013						CHEMBL124660	
DB05465	Tandutinib	BE0003411	PDGFD	Q9GZP0	PDGFD_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Tyrosine Kinase Inhibitors"	COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1						175427013						CHEMBL124660	
DB05466	R673	BE0000384	TACR1	P25103	NK1R_HUMAN				Investigational										347910154							
DB05467	Palovarotene	BE0000144	RARG	P13631	RARG_HUMAN	agonist			Approved; Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	OATP1B1/SLCO1B1 Inhibitors; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; OATP1B3 inhibitors; Musculo-Skeletal System; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2B6 Inducers (strength unknown); BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors	CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2					23695						Palovarotene	CHEMBL2105648	
DB05468	R411	BE0000590	ITGA4	P13612	ITA4_HUMAN				Investigational										347910156							
DB05469	R450	BE0000501	ADRA1A	P35348	ADA1A_HUMAN				Investigational										347910157							
DB05469	R450	BE0000575	ADRA1B	P35368	ADA1B_HUMAN				Investigational										347910157							
DB05470	VX-702	BE0001019	MAPK14	Q16539	MK14_HUMAN				Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	Amides; Benzene Derivatives	NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F						347827732						CHEMBL1090090	
DB05471	SGN-30	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347910158							
DB05472	Human interferon omega-1	BE0000661	IFNAR1	P17181	INAR1_HUMAN		1834641	"Flores I, Mariano TM, Pestka S: Human interferon omega (omega) binds to the alpha/beta receptor. J Biol Chem. 1991 Oct 25;266(30):19875-7."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Myelosuppressive Agents; Immunosuppressive Agents							347910159			P05000		IFNW1		
DB05475	Golotimod	BE0001164	TLR2	O60603	TLR2_HUMAN				Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O						175427014						CHEMBL2103812	2367440
DB05475	Golotimod	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN				Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides"	N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O						175427014						CHEMBL2103812	2367440
DB05482	SN-38	BE0000971	TOP1	P11387	TOP1_HUMAN				Investigational	Camptothecins	Organic compounds; Alkaloids and derivatives; Camptothecins	Topoisomerase I Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Topoisomerase Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Alkaloids; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents	CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O		Irinotecan Action Pathway; Irinotecan Metabolism Pathway	drug_metabolism; drug_action			175427017					SN-38	CHEMBL837	
DB05483	Picolinic acid	BE0002460	UBR4	Q5T4S7	UBR4_HUMAN				Investigational			"Iron Chelating Agents; Chelating Agents; Sequestering Agents; Pyridines; Compounds used in a research, industrial, or household setting"	OC(=O)C1=CC=CC=N1						347910165					Picolinic_acid	CHEMBL72628	33684
DB05487	Custirsen	BE0000123	ESR1	P03372	ESR1_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antisense Oligonucleotides; Pyrans"							347910168					Custirsen		
DB05487	Custirsen	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antisense Oligonucleotides; Pyrans"							347910168					Custirsen		
DB05488	Technetium Tc-99m ciprofloxacin	BE0002425	TOP2B	Q02880	TOP2B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational			"Organometallic Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strong); Heterocyclic Compounds, Fused-Ring; Fluoroquinolones; QTc Prolonging Agents; Cytochrome P-450 Enzyme Inhibitors; Anti-Bacterial Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors; Quinolones; Quinolines"							175427018							
DB05490	AMG-131	BE0000215	PPARG	P37231	PPARG_HUMAN	partial agonist			Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; PPAR gamma, agonists; Sulfur Compounds; Amides"	ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1						175427019						CHEMBL1236924	
DB05492	Epicept NP-1	BE0000533	HTR2C	P28335	5HT2C_HUMAN				Investigational	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O						175427020						CHEMBL609728	
DB05492	Epicept NP-1	BE0000501	ADRA1A	P35348	ADA1A_HUMAN				Investigational	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O						175427020						CHEMBL609728	
DB05492	Epicept NP-1	BE0000575	ADRA1B	P35368	ADA1B_HUMAN				Investigational	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O						175427020						CHEMBL609728	
DB05492	Epicept NP-1	BE0000442	HRH1	P35367	HRH1_HUMAN				Investigational	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O						175427020						CHEMBL609728	
DB05492	Epicept NP-1	BE0002378	OPRL1	P41146	OPRX_HUMAN				Investigational	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O						175427020						CHEMBL609728	
DB05494	Elacytarabine	BE0002804	DCK	P27707	DCK_HUMAN				Investigational	Pyrimidine nucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides"	"Nucleosides; Lipids; Pyrimidines; Fatty Acids; Nucleic Acids, Nucleotides, and Nucleosides; Arabinonucleosides; Pyrimidine Nucleosides"	CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(N)=NC1=O						175427021						CHEMBL2105665	
DB05505	NM-702	BE0001893	TBXAS1	P24557	THAS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational										347910177							
DB05506	ISIS 113715	BE0000623	PTPN1	P18031	PTN1_HUMAN				Investigational										347910178							
DB05518	Managlinat dialanetil	BE0002431	FBP1	P09467	F16P1_HUMAN		15911772	"Erion MD, van Poelje PD, Dang Q, Kasibhatla SR, Potter SC, Reddy MR, Reddy KR, Jiang T, Lipscomb WN: MB06322 (CS-917): A potent and selective inhibitor of fructose 1,6-bisphosphatase for controlling gluconeogenesis in type 2 diabetes. Proc Natl Acad Sci U S A. 2005 May 31;102(22):7970-5. Epub 2005 May 23."	Investigational			"Amino Acids; Organophosphorus Compounds; Amino Acids, Peptides, and Proteins; Fructose-Bisphosphatase, antagonists & inhibitors"	[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(N)=N1)C(=O)OCC												CHEMBL259771	
DB05521	Telaprevir	BE0001042	SLCO2B1	O94956	SO2B1_HUMAN	inhibitor			Approved; Withdrawn	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"OATP1B1/SLCO1B1 Inhibitors; Protease Inhibitors; Antiviral Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Antivirals for treatment of HCV infections; Antiinfectives for Systemic Use; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Antivirals for Systemic Use; Peptides; Direct Acting Antivirals; Organic Anion Transporting Polypeptide 2B1 Inhibitors; HCV NS3/4A Protease Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); NS3/4A Protease Inhibitors"	[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1					20897	175427024	D09012	PA165958354			Telaprevir	CHEMBL231813	1102261
DB05524	Pelitinib	BE0000767	EGFR	P00533	EGFR_HUMAN		16364494	"Yoshimura N, Kudoh S, Kimura T, Mitsuoka S, Matsuura K, Hirata K, Matsui K, Negoro S, Nakagawa K, Fukuoka M: EKB-569, a new irreversible epidermal growth factor receptor tyrosine kinase inhibitor, with clinical activity in patients with non-small cell lung cancer with acquired resistance to gefitinib. Lung Cancer. 2006 Mar;51(3):363-8. Epub 2005 Dec 20."	Investigational			"Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Quinolines; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N												CHEMBL607707	
DB05533	QR-333	BE0000747	AKR1B1	P15121	ALDR_HUMAN		16112498	"Valensi P, Le Devehat C, Richard JL, Farez C, Khodabandehlou T, Rosenbloom RA, LeFante C: A multicenter, double-blind, safety study of QR-333 for the treatment of symptomatic diabetic peripheral neuropathy. A preliminary report. J Diabetes Complications. 2005 Sep-Oct;19(5):247-53."	Investigational																	
DB05541	Brivaracetam	BE0000993	SV2A	Q7L0J3	SV2A_HUMAN	unknown			Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Cytochrome P-450 CYP2B6 Substrates; Miscellaneous Anticonvulsants; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Epoxide Hydrolase Inhibitors; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Anticonvulsants; Cytochrome P-450 CYP2C19 Substrates	CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1					22702	347827736	D08879	PA166153491			Brivaracetam	CHEMBL607400	1739745
DB05541	Brivaracetam	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	19914041	"Zona C, Pieri M, Carunchio I, Curcio L, Klitgaard H, Margineanu DG: Brivaracetam (ucb 34714) inhibits Na(+) current in rat cortical neurons in culture. Epilepsy Res. 2010 Jan;88(1):46-54. doi: 10.1016/j.eplepsyres.2009.09.024. Epub 2009 Nov 13."	Approved; Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Cytochrome P-450 CYP2B6 Substrates; Miscellaneous Anticonvulsants; Pyrrolidines; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Epoxide Hydrolase Inhibitors; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Anticonvulsants; Cytochrome P-450 CYP2C19 Substrates	CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1					22702	347827736	D08879	PA166153491			Brivaracetam	CHEMBL607400	1739745
DB05542	Naronapride	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	17187586	"Camilleri M, Vazquez-Roque MI, Burton D, Ford T, McKinzie S, Zinsmeister AR, Druzgala P: Pharmacodynamic effects of a novel prokinetic 5-HT receptor agonist, ATI-7505, in humans. Neurogastroenterol Motil. 2007 Jan;19(1):30-8."	Investigational			"Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Neurotransmitter Agents; Serotonin Receptor Agonists; Amides; Benzene Derivatives; Antidepressive Agents"	CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1												CHEMBL2103858	
DB05550	Iratumumab	BE0003479	TNFRSF8	P28908	TNR8_HUMAN	antibody	33807678	"Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Iratumumab		
DB05552	TG100-115	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	17685602	"Palanki MS, Dneprovskaia E, Doukas J, Fine RM, Hood J, Kang X, Lohse D, Martin M, Noronha G, Soll RM, Wrasidlo W, Yee S, Zhu H: Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction. J Med Chem. 2007 Sep 6;50(18):4279-94. doi: 10.1021/jm051056c. Epub 2007 Aug 9."	Investigational			"Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Benzene Derivatives"	NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1												CHEMBL230011	
DB05553	Regrelor	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	234946	"Holland R, Pritchard GG: Regulation of the L-lactase dehydrogenase from Lactobacillus casei by fructose-1,6-diphosphate and metal ions. J Bacteriol. 1975 Mar;121(3):777-84."	Investigational			"Heterocyclic Compounds, Fused-Ring; Adenine Nucleotides; Purines; Purine Nucleotides; Ribonucleotides; Neurotransmitter Agents; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic Agents; Nucleotides; Purinergic P2 Receptor Antagonists; Purinergic Antagonists"	[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)N1C=NC2=C1N=CN=C2NC(=O)NCC)\C=C\C1=CC=CC=C1											Regrelor	CHEMBL1162175	1313722
DB05559	NF-kappaB Decoy	BE0004903	NFKB2	P19838	NFKB1_HUMAN	inhibitor			Investigational			"Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"														
DB05578	Ramucirumab	BE0000369	KDR	P35968	VGFR2_HUMAN	antagonist	2182794	"Goodkin R, Zaias B, Michelsen WJ: Arteriovenous malformation and glioma: coexistent or sequential? Case report. J Neurosurg. 1990 May;72(5):798-805."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Growth Substances; Immunoproteins; Angiogenesis Inhibitors; Antibodies, Monoclonal, Humanized; VEGF/VEGFR (Vascular Endothelial Growth Factor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Angiogenesis Modulating Agents; VEGFR2 Inhibitors; Proteins; Vascular Endothelial Growth Factor Receptor 2 Antagonist; Antineoplastic Agents; Growth Inhibitors; Immunoglobulins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Narrow Therapeutic Index Drugs; Blood Proteins"						22627	347910183	D09371				Ramucirumab	CHEMBL1743062	1535922
DB05624	Teverelix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	7693007	"Deghenghi R, Boutignon F, Wuthrich P, Lenaerts V: Antarelix (EP 24332) a novel water soluble LHRH antagonist. Biomed Pharmacother. 1993;47(2-3):107-10."	Investigational			"Peptides; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O													
DB05630	Sodium stibogluconate	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	15562618; 2835038; 10592235	"Walker J, Saravia NG: Inhibition of Leishmania donovani promastigote DNA topoisomerase I and human monocyte DNA topoisomerases I and II by antimonial drugs and classical antitopoisomerase agents. J Parasitol. 2004 Oct;90(5):1155-62.@@Chakraborty AK, Majumder HK: Mode of action of pentavalent antimonials: specific inhibition of type I DNA topoisomerase of Leishmania donovani. Biochem Biophys Res Commun. 1988 Apr 29;152(2):605-11.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Antiplatyhelmintic Agents; Sugar Acids; Anti-Infective Agents; Schistosomicides; Antimony Compounds; Hydroxy Acids; Antiparasitic Products, Insecticides and Repellents; Carbohydrates; Antiprotozoals; Acids, Acyclic; Gluconates; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents"	O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO						99443233	D00582	PA164743129		DCL000001	Sodium_stibogluconate	CHEMBL2079699	8010
DB05642	DDP-225	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		O.Cl.CC1=CC2=C(N=C(N=C2S1)N1CCNCC1)C1=CC=CC=C1F													
DB05662	NP-50301	BE0000123	ESR1	P03372	ESR1_HUMAN				Investigational										347910187							
DB05667	Levoketoconazole	BE0003542	CYP11B2	P19099	C11B2_HUMAN	inhibitor	34380370; 1495014	"Fleseriu M, Auchus RJ, Pivonello R, Salvatori R, Zacharieva S, Biller BMK: Levoketoconazole: a novel treatment for endogenous Cushing's syndrome. Expert Rev Endocrinol Metab. 2021 Jul;16(4):159-174. doi: 10.1080/17446651.2021.1945440. Epub 2021 Aug 12.@@Rotstein DM, Kertesz DJ, Walker KA, Swinney DC: Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem. 1992 Jul 24;35(15):2818-25."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticorticosteroids; Cytochrome P-450 CYP3A5 Inducers; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cortisol Synthesis Inhibitors; Corticosteroids for Systemic Use"	CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1								PA450146			Levoketoconazole	CHEMBL295698	2588846
DB05667	Levoketoconazole	BE0003537	CYP11A1	P05108	CP11A_HUMAN	inhibitor	34380370; 1495014	"Fleseriu M, Auchus RJ, Pivonello R, Salvatori R, Zacharieva S, Biller BMK: Levoketoconazole: a novel treatment for endogenous Cushing's syndrome. Expert Rev Endocrinol Metab. 2021 Jul;16(4):159-174. doi: 10.1080/17446651.2021.1945440. Epub 2021 Aug 12.@@Rotstein DM, Kertesz DJ, Walker KA, Swinney DC: Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem. 1992 Jul 24;35(15):2818-25."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticorticosteroids; Cytochrome P-450 CYP3A5 Inducers; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cortisol Synthesis Inhibitors; Corticosteroids for Systemic Use"	CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1								PA450146			Levoketoconazole	CHEMBL295698	2588846
DB05667	Levoketoconazole	BE0000875	CYP51A1	Q16850	CP51A_HUMAN	inhibitor	34380370; 1495014	"Fleseriu M, Auchus RJ, Pivonello R, Salvatori R, Zacharieva S, Biller BMK: Levoketoconazole: a novel treatment for endogenous Cushing's syndrome. Expert Rev Endocrinol Metab. 2021 Jul;16(4):159-174. doi: 10.1080/17446651.2021.1945440. Epub 2021 Aug 12.@@Rotstein DM, Kertesz DJ, Walker KA, Swinney DC: Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem. 1992 Jul 24;35(15):2818-25."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2B6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Anticorticosteroids; Cytochrome P-450 CYP3A5 Inducers; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cortisol Synthesis Inhibitors; Corticosteroids for Systemic Use"	CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1								PA450146			Levoketoconazole	CHEMBL295698	2588846
DB05668	Palifosfamide	BE0000892	DNMT1	P26358	DNMT1_HUMAN				Investigational	Organic phosphoric acid diamides	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Organic phosphoramides	"Hydrocarbons, Halogenated; Amino Acids; Amino Acids, Basic; Phosphoramides; Alkylating Drugs; Organophosphorus Compounds; Amino Acids, Peptides, and Proteins; Oxazines; Mustard Compounds; Phosphoramide Mustards; Toxic Actions; Noxae; Antineoplastic Agents, Alkylating; Amino Acids, Diamino; Nitrogen Mustard Compounds; Antineoplastic Agents"	OP(=O)(NCCCl)NCCCl												CHEMBL889	
DB05678	SLx-4090	BE0000232	MTTP	P55157	MTP_HUMAN	inhibitor	21406547	"Kim E, Campbell S, Schueller O, Wong E, Cole B, Kuo J, Ellis J, Ferkany J, Sweetnam P: A small-molecule inhibitor of enterocytic microsomal triglyceride transfer protein, SLx-4090: biochemical, pharmacodynamic, pharmacokinetic, and safety profile. J Pharmacol Exp Ther. 2011 Jun;337(3):775-85. doi: 10.1124/jpet.110.177527. Epub 2011 Mar 15."	Investigational			"Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives"	COC1=CC=CC(C(=O)NC2=CC3=C(CN(CC3)C(=O)OC3=CC=CC=C3)C=C2)=C1C1=CC=C(C=C1)C(F)(F)F													
DB05685	FX06	BE0003403	CDH5	P33151	CADH5_HUMAN		17019083	"Atar D, Huber K, Rupprecht HJ, Kopecky SL, Schwitter J, Theek C, Brandl K, Henning R, Geudelin B: Rationale and design of the 'F.I.R.E.' study. A multicenter, double-blind, randomized, placebo-controlled study to measure the effect of FX06 (a fibrin-derived peptide Bbeta(15-42)) on ischemia-reperfusion injury in patients with acute myocardial infarction undergoing primary percutaneous coronary intervention. Cardiology. 2007;108(2):117-23. Epub 2006 Oct 2."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347910191							
DB05687	BL-1020	BE0000756	DRD2	P14416	DRD2_HUMAN				Investigational			"Antipsychotic Agents; Amino Acids; Phenothiazines; Aminobutyrates; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Sulfur Compounds; Acids, Acyclic; Amino Acids, Peptides, and Proteins; Butyrates; Neurotoxic agents"							347910192					BL-1020		
DB05688	CRx-119	BE0000749	SLC6A4	P31645	SC6A4_HUMAN				Investigational										347910193							
DB05688	CRx-119	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational										347910193							
DB05695	NPS-2143	BE0000509	CASR	P41180	CASR_HUMAN		17932932	"Bu L, Michino M, Wolf RM, Brooks CL 3rd: Improved model building and assessment of the Calcium-sensing receptor transmembrane domain. Proteins. 2008 Apr;71(1):215-26."	Investigational	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		CC(C)(CC1=CC=C2C=CC=CC2=C1)NC[C@@H](O)COC1=CC=CC(Cl)=C1C#N											NPS-2143	CHEMBL180672	
DB05697	Trabedersen	BE0003481	TGFB2	P61812	TGFB2_HUMAN		16377233	"Schlingensiepen KH, Schlingensiepen R, Steinbrecher A, Hau P, Bogdahn U, Fischer-Blass B, Jachimczak P: Targeted tumor therapy with the TGF-beta 2 antisense compound AP 12009. Cytokine Growth Factor Rev. 2006 Feb-Apr;17(1-2):129-39. Epub 2005 Dec 27."	Investigational			"Polynucleotides; Oligonucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Antineoplastic Agents"														
DB05708	GTS-21	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		17591554; 17334244; 15213292	"Kim SW, Ding YS, Alexoff D, Patel V, Logan J, Lin KS, Shea C, Muench L, Xu Y, Carter P, King P, Constanzo JR, Ciaccio JA, Fowler JS: Synthesis and positron emission tomography studies of C-11-labeled isotopomers and metabolites of GTS-21, a partial alpha7 nicotinic cholinergic agonist drug. Nucl Med Biol. 2007 Jul;34(5):541-51.@@Pavlov VA, Ochani M, Yang LH, Gallowitsch-Puerta M, Ochani K, Lin X, Levi J, Parrish WR, Rosas-Ballina M, Czura CJ, Larosa GJ, Miller EJ, Tracey KJ, Al-Abed Y: Selective alpha7-nicotinic acetylcholine receptor agonist GTS-21 improves survival in murine endotoxemia and severe sepsis. Crit Care Med. 2007 Apr;35(4):1139-44.@@Stokes C, Papke JK, Horenstein NA, Kem WR, McCormack TJ, Papke RL: The structural basis for GTS-21 selectivity between human and rat nicotinic alpha7 receptors. Mol Pharmacol. 2004 Jul;66(1):14-24."	Investigational	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes	Cholinergic Agonists; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 Substrates; Nicotinic Agonists; Neurotransmitter Agents; Cholinergic Agents; Benzene Derivatives; Cytochrome P-450 CYP1A2 Substrates	[H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1						175427027					GTS-21	CHEMBL134713	
DB05712	AZD-9684	BE0003407	CPB2	Q96IY4	CBPB2_HUMAN				Investigational			"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"							347910195							
DB05737	Varespladib methyl	BE0001640	PLA2G2A	P14555	PA2GA_HUMAN				Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fatty Acids, Volatile; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Phospholipase A2 Inhibitors; Lipids; Acids, Acyclic; Fatty Acids"	CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1						347827740					Varespladib_methyl	CHEMBL2105659	
DB05737	Varespladib methyl	BE0000070	PLA2G10	O15496	PA2GX_HUMAN				Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fatty Acids, Volatile; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Phospholipase A2 Inhibitors; Lipids; Acids, Acyclic; Fatty Acids"	CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1						347827740					Varespladib_methyl	CHEMBL2105659	
DB05740	RPI-78M	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN				Investigational										347910203							
DB05740	RPI-78M	BE0000850	CHRNB2	P17787	ACHB2_HUMAN				Investigational										347910203							
DB05740	RPI-78M	BE0002341	CHRNA7	P36544	ACHA7_HUMAN				Investigational										347910203							
DB05740	RPI-78M	BE0000849	CHRNA4	P43681	ACHA4_HUMAN				Investigational										347910203							
DB05749	MPI-674	BE0002090	CYP19A1	P11511	CP19A_HUMAN				Investigational										347910209							
DB05752	ALKS 27	BE0000560	CHRM2	P08172	ACM2_HUMAN				Investigational										347910212							
DB05752	ALKS 27	BE0000045	CHRM3	P20309	ACM3_HUMAN				Investigational										347910212							
DB05752	ALKS 27	BE0000247	CHRM5	P08912	ACM5_HUMAN				Investigational										347910212							
DB05766	Norclozapine	BE0000756	DRD2	P14416	DRD2_HUMAN				Investigational			"Antipsychotic Agents; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Dibenzazepines"	ClC1=CC=C2NC3=C(C=CC=C3)C(=NC2=C1)N1CCNCC1						347910220					Desmethylclozapine	CHEMBL845	
DB05766	Norclozapine	BE0000581	DRD3	P35462	DRD3_HUMAN				Investigational			"Antipsychotic Agents; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Tranquilizing Agents; Dibenzazepines"	ClC1=CC=C2NC3=C(C=CC=C3)C(=NC2=C1)N1CCNCC1						347910220					Desmethylclozapine	CHEMBL845	
DB05767	Andrographolide	BE0001086	NFKB1	P19838	NFKB1_HUMAN				Investigational	Gamma butyrolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones	"Sensory System Agents; Angiosperms; Andrographis; Anti-Inflammatory Agents; Stereoisomerism; Antiprotozoals; Lamiales; Streptophyta; Antiplatelet agents; Terpenes; Plant Preparations; Viridiplantae; Complex Mixtures; Colitis, Ulcerative; Analgesics, Non-Narcotic; Embryophyta; Colitis, Ulcerative, drug therapy; Peripheral Nervous System Agents; Analgesics; Antiparasitic Agents; Acanthaceae; Biological Products; Anti-Infective Agents; Eukaryota; Pharmaceutical Preparations; Tracheophyta; Hematologic Agents; Antirheumatic Agents"	[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO						347827741					Andrographolide	CHEMBL186141	
DB05773	Trastuzumab emtansine	BE0000511	ERBB2	P04626	ERBB2_HUMAN	antibody	23196784; 19010901; 11752352	"Barginear MF, John V, Budman DR: Trastuzumab-DM1: a clinical update of the novel antibody-drug conjugate for HER2-overexpressing breast cancer. Mol Med. 2013 Jan 22;18:1473-9. doi: 10.2119/molmed.2012.00302.@@Lewis Phillips GD, Li G, Dugger DL, Crocker LM, Parsons KL, Mai E, Blattler WA, Lambert JM, Chari RV, Lutz RJ, Wong WL, Jacobson FS, Koeppen H, Schwall RH, Kenkare-Mitra SR, Spencer SD, Sliwkowski MX: Targeting HER2-positive breast cancer with trastuzumab-DM1, an antibody-cytotoxic drug conjugate. Cancer Res. 2008 Nov 15;68(22):9280-90. doi: 10.1158/0008-5472.CAN-08-1776.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Tubulin Modulators; Antibodies, Monoclonal; Myelosuppressive Agents; Maytansine; Serum Globulins; Cancer immunotherapy; Antimitotic Agents; Immunoproteins; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Lactams, Macrocyclic; Globulins; Noxae; Amino Acids, Peptides, and Proteins; HER2-targeted Antibodies; Antibodies; Microtubule Inhibitors; Immunotherapy; Immunotoxins; Cytochrome P-450 Substrates; Immunologic Factors; Proteins; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; HER2 Receptor Antagonists; Cytochrome P-450 CYP3A5 Substrates; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; Lactones; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Mitosis Modulators; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Trastuzumab; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins"						22146	347910224	D09980				Trastuzumab_emtansine	CHEMBL1743082	1371041
DB05777	Thrombomodulin Alfa	BE0000041	F5	P12259	FA5_HUMAN				Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Membrane Proteins; Membrane Glycoproteins; Platelet Membrane Glycoproteins; Carbohydrates; Receptors, Thrombin; Proteins; Receptors, Peptide; Glycoconjugates; Amino Acids, Peptides, and Proteins; Glycoproteins"							347910227							
DB05785	LGD-1550	BE0000663	RARA	P10276	RARA_HUMAN				Investigational			"Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes"	C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O						347910230						CHEMBL89241	
DB05785	LGD-1550	BE0000206	RARB	P10826	RARB_HUMAN				Investigational			"Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes"	C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O						347910230						CHEMBL89241	
DB05785	LGD-1550	BE0000144	RARG	P13631	RARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational			"Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Receptors, Retinoic Acid, agonists; Terpenes"	C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O						347910230						CHEMBL89241	
DB05790	SR 140333	BE0000384	TACR1	P25103	NK1R_HUMAN				Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Stereoisomerism	[Cl-].CC(C)OC1=CC=CC(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)C3=CC=CC=C3)(C2)C2=CC(Cl)=C(Cl)C=C2)=C1						175427031							
DB05796	Daglutril	BE0000266	MME	P08473	NEP_HUMAN				Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Neprilysin, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O						175427034							
DB05798	GEM-231	BE0003424	PRKAR2A	P13861	KAP2_HUMAN				Investigational			"Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides"							347910237							
DB05801	GTI 2040	BE0002450	RRM2	P31350	RIR2_HUMAN				Investigational										347910239							
DB05806	Cositecan	BE0000971	TOP1	P11387	TOP1_HUMAN				Investigational	Camptothecins	Organic compounds; Alkaloids and derivatives; Camptothecins	Alkaloids	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O						175427037					Camptothecin	CHEMBL1997373	
DB05829	Parathyroid hormone	BE0004703	PTH2R	P49190	PTH2R_HUMAN	activator	10837469	"Jin L, Briggs SL, Chandrasekhar S, Chirgadze NY, Clawson DK, Schevitz RW, Smiley DL, Tashjian AH, Zhang F: Crystal structure of human parathyroid hormone 1-34 at 0.9-A resolution. J Biol Chem. 2000 Sep 1;275(35):27238-44."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Parathyroid Hormones and Analogues; Thyroid Products; Calcium-Regulating Hormones and Agents; Peptides; Calcium Homeostasis; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						5252	347910255			P01270		Preotact		1427222
DB05846	Mito-4509	BE0003392	APP	P05067	A4_HUMAN				Investigational										347910266							
DB05854	CLX-0921	BE0000215	PPARG	P37231	PPARG_HUMAN				Investigational			Sulfur Compounds							347910271					Thiazolidinedione		
DB05855	Rivanicline	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		12170059	"Li X, Eisenach JC: Nicotinic acetylcholine receptor regulation of spinal norepinephrine release. Anesthesiology. 2002 Jun;96(6):1450-6."	Investigational	Pyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives	Solanaceous Alkaloids; Alkaloids; Pyridines	CNCC\C=C\C1=CN=CC=C1						175427044					Rivanicline	CHEMBL132966	
DB05864	PPI-2458	BE0001534	METAP2	P50579	MAP2_HUMAN				Investigational	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Ethers, Cyclic; Amino Acids; Amino Acids, Branched-Chain; Ethers; Amino Acids, Peptides, and Proteins"	[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C						175427046						CHEMBL3527358	
DB05867	99mTc-14 F7 Mab	BE0004604	ST3GAL5	Q9UNP4	SIAT9_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347910280							
DB05869	Ethyl pyruvate	BE0003428	HMGB1	P09429	HMGB1_HUMAN				Investigational	Alpha-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives	Keto Acids	CCOC(=O)C(C)=O						175427048						CHEMBL173373	1539968
DB05882	CHF 4227	BE0000123	ESR1	P03372	ESR1_HUMAN				Investigational			"Pyrans; Heterocyclic Compounds, Fused-Ring"							347910291					Selective_estrogen_receptor_modulator		
DB05882	CHF 4227	BE0000792	ESR2	Q92731	ESR2_HUMAN				Investigational			"Pyrans; Heterocyclic Compounds, Fused-Ring"							347910291					Selective_estrogen_receptor_modulator		
DB05885	Seletracetam	BE0000993	SV2A	Q7L0J3	SV2A_HUMAN	modulator	17199025; 18183537	"Bennett B, Matagne A, Michel P, Leonard M, Cornet M, Meeus MA, Toublanc N: Seletracetam (UCB 44212). Neurotherapeutics. 2007 Jan;4(1):117-22.@@Pollard JR: Seletracetam, a small molecule SV2A modulator for the treatment of epilepsy. Curr Opin Investig Drugs. 2008 Jan;9(1):101-7."	Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Antiarrhythmic agents; Pyrrolidines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates	CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O						175427051	D05817				Seletracetam	CHEMBL3918017	
DB05885	Seletracetam	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	blocker	11879381; 19055493	"Lukyanetz EA, Shkryl VM, Kostyuk PG: Selective blockade of N-type calcium channels by levetiracetam. Epilepsia. 2002 Jan;43(1):9-18.@@Martella G, Bonsi P, Sciamanna G, Platania P, Madeo G, Tassone A, Cuomo D, Pisani A: Seletracetam (ucb 44212) inhibits high-voltage-activated Ca2+ currents and intracellular Ca2+ increase in rat cortical neurons in vitro. Epilepsia. 2009 Apr;50(4):702-10. doi: 10.1111/j.1528-1167.2008.01915.x. Epub 2008 Dec 4."	Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Antiarrhythmic agents; Pyrrolidines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates	CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O						175427051	D05817				Seletracetam	CHEMBL3918017	
DB05885	Seletracetam	BE0004857	GLRA1	P48167	GLRB_HUMAN	binding	17158031	"Bialer M, Johannessen SI, Kupferberg HJ, Levy RH, Perucca E, Tomson T: Progress report on new antiepileptic drugs: a summary of the Eigth Eilat Conference (EILAT VIII). Epilepsy Res. 2007 Jan;73(1):1-52. Epub 2006 Dec 8."	Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Antiarrhythmic agents; Pyrrolidines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates	CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O						175427051	D05817				Seletracetam	CHEMBL3918017	
DB05889	Inotuzumab ozogamicin	BE0000183	CD22	P20273	CD22_HUMAN	antibody	28152223; 33807678	"Thota S, Advani A: Inotuzumab ozogamicin in relapsed B-cell acute lymphoblastic leukemia. Eur J Haematol. 2017 May;98(5):425-434. doi: 10.1111/ejh.12862. Epub 2017 Mar 9.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Increased Cellular Death; Serum Globulins; Cancer immunotherapy; Glycosides; Carbohydrates; Immunoproteins; Antibodies, Monoclonal, Humanized; CD22-directed Antibody Interactions; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; P-glycoprotein substrates; Antineoplastic Agents; Immunoglobulins; Hepatotoxic Agents; Antibody-drug Conjugates; CD22 (Clusters of Differentiation 22) inhibitors; Decreased DNA Integrity; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; CD22-directed Immunoconjugate; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Calicheamicins; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins"						22942	347910296					Inotuzumab_ozogamicin		1942950
DB05892	RI 624	BE0001094	NGF	P01138	NGF_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Central Nervous System Agents; Receptor, Nerve Growth Factor, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Immunoproteins; Proteins; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics"							347910298							
DB05895	HGS-TR2J	BE0003433	TNFRSF10B	O14763	TR10B_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347910300							
DB05897	rhIGFBP-3	BE0000858	IGF1R	P08069	IGF1R_HUMAN				Investigational										347910302							
DB05905	TD-2749	BE0000084	HTR4	Q13639	5HT4R_HUMAN				Investigational				CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)C2=CC=CC=C12						347910306						CHEMBL2059590	
DB05913	OSI-930	BE0000453	KIT	P10721	KIT_HUMAN				Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sulfur Compounds; Heterocyclic Compounds, Fused-Ring"	FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1						347827749						CHEMBL1614710	
DB05913	OSI-930	BE0000029	FLT1	P17948	VGFR1_HUMAN				Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Sulfur Compounds; Heterocyclic Compounds, Fused-Ring"	FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1						347827749						CHEMBL1614710	
DB05915	Stamulumab	BE0003435	MSTN	O14793	GDF8_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347910311					Stamulumab		
DB05928	Dovitinib	BE0000956	NR1I2	O75469	NR1I2_HUMAN	suppressor	25521244	"Weiss J, Theile D, Dvorak Z, Haefeli WE: Interaction potential of the multitargeted receptor tyrosine kinase inhibitor dovitinib with drug transporters and drug metabolising enzymes assessed in vitro. Pharmaceutics. 2014 Dec 16;6(4):632-50. doi: 10.3390/pharmaceutics6040632."	Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; UGT2B7 Inhibitors; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; UGT1A3 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Quinolines; BCRP/ABCG2 Inducers"	CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=C(N)C2=C(NC1=O)C=CC=C2F						347827750					Fibroblast_growth_factor_receptor_1	CHEMBL522892	
DB05931	Pegdinetanib	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational			"Membrane Proteins; Membrane Glycoproteins; Serum Globulins; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Carbohydrates; Scleroproteins; Peptides; Proteins; Extracellular Matrix Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoconjugates; Glycoproteins"												Pegdinetanib		
DB05932	Denibulin	BE0000029	FLT1	P17948	VGFR1_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring"	COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2												CHEMBL2111088	
DB05932	Denibulin	BE0000023	FLT4	P35916	VGFR3_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring"	COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2												CHEMBL2111088	
DB05936	CVT-6883	BE0000241	ADORA2B	P29275	AA2BR_HUMAN				Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Adenosine A2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring"	CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC3=CC=CC(=C3)C(F)(F)F)N=C2)C1=O												CHEMBL260933	
DB05938	Edonerpic	BE0003392	APP	P05067	A4_HUMAN				Investigational	1-benzothiophenes	Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes	"Sulfur Compounds; Acids, Acyclic; Dicarboxylic Acids"	OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1													
DB05939	MK-0354	BE0003446	GPER1	Q99527	GPER1_HUMAN				Investigational				C1CC2=C(C1)C(=NN2)C1=NNN=N1											G_protein-coupled_receptor	CHEMBL456145	
DB05943	Resatorvid	BE0002115	CSF2RB	P32927	IL3RB_HUMAN				Investigational			Sulfones; Sulfur Compounds; Amides	[H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1												CHEMBL225157	
DB05944	Varlitinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sulfur Compounds; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1						347827751						CHEMBL2103842	
DB05944	Varlitinib	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sulfur Compounds; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1						347827751						CHEMBL2103842	
DB05945	MDX-1303	BE0003223	ANTXR2	P58335	ANTR2_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB05945	MDX-1303	BE0003447	ANTXR1	Q9H6X2	ANTR1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB05950	Contulakin-G	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN				Investigational			"Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins"														
DB05956	EVT-101	BE0000412	RXRA	P19793	RXRA_HUMAN				Investigational	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives		Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F											EVT-101	CHEMBL3545349	
DB05956	EVT-101	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN				Investigational	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives		Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F											EVT-101	CHEMBL3545349	
DB05959	ENMD-1198	BE0003461	TNFRSF11A	Q9Y6Q6	TNR11_HUMAN				Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Steroids; Estranes	COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O												CHEMBL1080759	
DB05959	ENMD-1198	BE0002374	HIF1A	Q16665	HIF1A_HUMAN				Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Steroids; Estranes	COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O												CHEMBL1080759	
DB05959	ENMD-1198	BE0003462	STAT3	P40763	STAT3_HUMAN				Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	Fused-Ring Compounds; Steroids; Estranes	COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O												CHEMBL1080759	
DB05961	PPL-100	BE0002458	SERPING1	P05155	IC1_HUMAN				Investigational				COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1												CHEMBL168640	
DB05964	Amitifadine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN				Investigational			Stereoisomerism	[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1											Amitifadine	CHEMBL592374	
DB05964	Amitifadine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational			Stereoisomerism	[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1											Amitifadine	CHEMBL592374	
DB05964	Amitifadine	BE0000756	DRD2	P14416	DRD2_HUMAN				Investigational			Stereoisomerism	[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1											Amitifadine	CHEMBL592374	
DB05966	TAS-108	BE0000123	ESR1	P03372	ESR1_HUMAN				Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids		OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1											TAS-108		
DB05966	TAS-108	BE0000792	ESR2	Q92731	ESR2_HUMAN				Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids		OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1											TAS-108		
DB05984	RAF-265	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational				CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12												CHEMBL558752	
DB05984	RAF-265	BE0000634	BRAF	P15056	BRAF_HUMAN				Investigational				CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12												CHEMBL558752	
DB05990	Obeticholic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	agonist	12166927; 31813639; 30844895; 31940200; 33049605; 31388629	"Pellicciari R, Fiorucci S, Camaioni E, Clerici C, Costantino G, Maloney PR, Morelli A, Parks DJ, Willson TM: 6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity. J Med Chem. 2002 Aug 15;45(17):3569-72.@@Eslam M, Alvani R, Shiha G: Obeticholic acid: towards first approval for NASH. Lancet. 2019 Dec 14;394(10215):2131-2133. doi: 10.1016/S0140-6736(19)32963-0. Epub 2019 Dec 5.@@Manne V, Kowdley KV: Obeticholic acid in primary biliary cholangitis: where we stand. Curr Opin Gastroenterol. 2019 May;35(3):191-196. doi: 10.1097/MOG.0000000000000525.@@Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Luo G, Lin X, Li Z, Xiao M, Li X, Zhang D, Xiang H: Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator. Eur J Med Chem. 2021 Jan 1;209:112910. doi: 10.1016/j.ejmech.2020.112910. Epub 2020 Oct 7.@@Hernandez ED, Zheng L, Kim Y, Fang B, Liu B, Valdez RA, Dietrich WF, Rucker PV, Chianelli D, Schmeits J, Bao D, Zoll J, Dubois C, Federe GC, Chen L, Joseph SB, Klickstein LB, Walker J, Molteni V, McNamara P, Meeusen S, Tully DC, Badman MK, Xu J, Laffitte B: Tropifexor-Mediated Abrogation of Steatohepatitis and Fibrosis Is Associated With the Antioxidative Gene Expression Profile in Rodents. Hepatol Commun. 2019 May 17;3(8):1085-1097. doi: 10.1002/hep4.1368. eCollection 2019 Aug."	Approved	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Fused-Ring Compounds; Farnesoid X Receptor Agonists; BSEP/ABCB11 inducers; Farnesoid X Receptor Agonist; BSEP/ABCB11 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cholanes; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Miscellaneous GI Drugs; Bile Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O					22864	347827752	D09360				Obeticholic_acid	CHEMBL566315	1798288
DB06016	Cariprazine	BE0000581	DRD3	P35462	DRD3_HUMAN	partial agonist	26510944; 26956157	McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1					23719	310264859	D09997				Cariprazine	CHEMBL2028019	1667655
DB06016	Cariprazine	BE0000756	DRD2	P14416	DRD2_HUMAN	partial agonist	26510944; 26956157	McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1					23719	310264859	D09997				Cariprazine	CHEMBL2028019	1667655
DB06016	Cariprazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	26510944; 26956157	McCormack PL: Cariprazine: First Global Approval. Drugs. 2015 Nov;75(17):2035-43. doi: 10.1007/s40265-015-0494-7.@@Stahl SM: Mechanism of action of cariprazine. CNS Spectr. 2016 Apr;21(2):123-7. doi: 10.1017/S1092852916000043. Epub 2016 Mar 9.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1					23719	310264859	D09997				Cariprazine	CHEMBL2028019	1667655
DB06016	Cariprazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1					23719	310264859	D09997				Cariprazine	CHEMBL2028019	1667655
DB06016	Cariprazine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Serotonin 5-HT2A Receptor Antagonists; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cyclohexanes; Chlorobenzenes; Cytochrome P-450 CYP3A4 Inhibitors; Psycholeptics; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inducers; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine D2/D3 receptor modulators; Dopamine Agonists; Neurotoxic agents; Cytochrome P-450 CYP2E1 Inhibitors; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1					23719	310264859	D09997				Cariprazine	CHEMBL2028019	1667655
DB06021	AV-412	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1													
DB06021	AV-412	BE0000511	ERBB2	P04626	ERBB2_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1													
DB06040	Filanesib	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	Mitosis Modulators; Thiazoles; Antimitotic Agents; Sulfur Compounds; Antineoplastic Agents	CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F											Filanesib	CHEMBL2347655	
DB06042	ZEN-012	BE0000143	TUBB	P07437	TBB5_HUMAN				Investigational										347910321							
DB06042	ZEN-012	BE0001408	TUBB4A	P04350	TBB4A_HUMAN				Investigational										347910321							
DB06042	ZEN-012	BE0002425	TOP2B	Q02880	TOP2B_HUMAN				Investigational										347910321							
DB06043	Olaratumab	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	antagonist	27291995; 24816152	"van der Graaf WT: Olaratumab in soft-tissue sarcomas. Lancet. 2016 Jul 30;388(10043):442-4. doi: 10.1016/S0140-6736(16)30788-7. Epub 2016 Jun 9.@@Doi T, Ma Y, Dontabhaktuni A, Nippgen C, Nippgen J, Ohtsu A: Phase I study of olaratumab in Japanese patients with advanced solid tumors. Cancer Sci. 2014 Jul;105(7):862-9. doi: 10.1111/cas.12444. Epub 2014 Jun 27."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Cancer immunotherapy; Serum Globulins; Immunoproteins; Platelet-derived Growth Factor Receptor alpha Antagonist; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents"						22910	347910322	D09939				Olaratumab	CHEMBL1743049	1855735
DB06050	TB-402	BE0000016	F8	P00451	FA8_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"													CHEMBL2109410	
DB06064	KAI-1455	BE0003431	PRKCE	Q02156	KPCE_HUMAN				Investigational										347910325							
DB06069	XMT-1001	BE0000971	TOP1	P11387	TOP1_HUMAN				Investigational			"Acetals; Alkaloids; Macromolecular Substances; Compounds used in a research, industrial, or household setting"							347910326							
DB06070	SNX-5422	BE0001120	HSP90AA1	P07900	HS90A_HUMAN				Investigational	Alpha amino acid esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Heterocyclic Compounds, Fused-Ring; Benzoates; Acids, Carbocyclic; Pyrazoles; Amides; Benzene Derivatives; Amino Acids, Peptides, and Proteins"	CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1						347827754						CHEMBL1195136	
DB06075	Linsitinib	BE0000033	INSR	P06213	INSR_HUMAN	inhibitor	21425998; 25208878; 17671083	"Mulvihill MJ, Cooke A, Rosenfeld-Franklin M, Buck E, Foreman K, Landfair D, O'Connor M, Pirritt C, Sun Y, Yao Y, Arnold LD, Gibson NW, Ji QS: Discovery of OSI-906: a selective and orally efficacious dual inhibitor of the IGF-1 receptor and insulin receptor. Future Med Chem. 2009 Sep;1(6):1153-71. doi: 10.4155/fmc.09.89.@@Jones RL, Kim ES, Nava-Parada P, Alam S, Johnson FM, Stephens AW, Simantov R, Poondru S, Gedrich R, Lippman SM, Kaye SB, Carden CP: Phase I study of intermittent oral dosing of the insulin-like growth factor-1 and insulin receptors inhibitor OSI-906 in patients with advanced solid tumors. Clin Cancer Res. 2015 Feb 15;21(4):693-700. doi: 10.1158/1078-0432.CCR-14-0265. Epub 2014 Sep 10.@@Ji QS, Mulvihill MJ, Rosenfeld-Franklin M, Cooke A, Feng L, Mak G, O'Connor M, Yao Y, Pirritt C, Buck E, Eyzaguirre A, Arnold LD, Gibson NW, Pachter JA: A novel, potent, and selective insulin-like growth factor-I receptor kinase inhibitor blocks insulin-like growth factor-I receptor signaling in vitro and inhibits insulin-like growth factor-I receptor dependent tumor growth in vivo. Mol Cancer Ther. 2007 Aug;6(8):2158-67. doi: 10.1158/1535-7163.MCT-07-0070. Epub 2007 Aug 1."	Investigational				C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1											Linsitinib	CHEMBL1091644	
DB06075	Linsitinib	BE0000858	IGF1R	P08069	IGF1R_HUMAN	inhibitor			Investigational				C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1											Linsitinib	CHEMBL1091644	
DB06077	Lumateperone	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	30449883	"Vanover KE, Davis RE, Zhou Y, Ye W, Brasic JR, Gapasin L, Saillard J, Weingart M, Litman RE, Mates S, Wong DF: Dopamine D2 receptor occupancy of lumateperone (ITI-007): a Positron Emission Tomography Study in patients with schizophrenia. Neuropsychopharmacology. 2019 Feb;44(3):598-605. doi: 10.1038/s41386-018-0251-1. Epub 2018 Oct 26."	Approved; Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Serotonin Modulators; Dopamine D2 Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine Agonists; Serotonin Agents; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C						310264860					Lumateperone	CHEMBL3306803	2275602
DB06077	Lumateperone	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN		30449883	"Vanover KE, Davis RE, Zhou Y, Ye W, Brasic JR, Gapasin L, Saillard J, Weingart M, Litman RE, Mates S, Wong DF: Dopamine D2 receptor occupancy of lumateperone (ITI-007): a Positron Emission Tomography Study in patients with schizophrenia. Neuropsychopharmacology. 2019 Feb;44(3):598-605. doi: 10.1038/s41386-018-0251-1. Epub 2018 Oct 26."	Approved; Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Serotonin Modulators; Dopamine D2 Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine Agonists; Serotonin Agents; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C						310264860					Lumateperone	CHEMBL3306803	2275602
DB06077	Lumateperone	BE0000756	DRD2	P14416	DRD2_HUMAN	partial agonist	30596390	"Kumar B, Kuhad A, Kuhad A: Lumateperone: a new treatment approach for neuropsychiatric disorders. Drugs Today (Barc). 2018 Dec;54(12):713-719. doi: 10.1358/dot.2018.54.12.2899443."	Approved; Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Serotonin Modulators; Dopamine D2 Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine Agonists; Serotonin Agents; UGT1A4 substrates; UGT1A1 Substrates; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C						310264860					Lumateperone	CHEMBL3306803	2275602
DB06080	Linifanib	BE0000147	FLT3	P36888	FLT3_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives"	CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1						347910329					Linifanib	CHEMBL223360	
DB06080	Linifanib	BE0000029	FLT1	P17948	VGFR1_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives"	CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1						347910329					Linifanib	CHEMBL223360	
DB06080	Linifanib	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives"	CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1						347910329					Linifanib	CHEMBL223360	
DB06080	Linifanib	BE0000023	FLT4	P35916	VGFR3_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives"	CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1						347910329					Linifanib	CHEMBL223360	
DB06080	Linifanib	BE0000453	KIT	P10721	KIT_HUMAN				Investigational			"Heterocyclic Compounds, Fused-Ring; Pyrazoles; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Amides; Benzene Derivatives"	CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1						347910329					Linifanib	CHEMBL223360	
DB06081	Caplacizumab	BE0001043	VWF	P04275	VWF_HUMAN				Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Proteins; Antiplatelet agents; Immunoglobulin Fab Fragments; Immunoglobulins; Blood and Blood Forming Organs; Peptides; Immunoglobulin Variable Region; Antithrombotic Agents, Misc.; von Willebrand Factor, antagonists & inhibitors; Peptide Fragments; Immunoglobulin Fragments; Blood Proteins; von Willebrand Factor (vWF)-directed Antibodies"						23420						Caplacizumab		2110604
DB06082	PX-478	BE0002374	HIF1A	Q16665	HIF1A_HUMAN	inhibitor	20587661	"Schwartz DL, Bankson JA, Lemos R Jr, Lai SY, Thittai AK, He Y, Hostetter G, Demeure MJ, Von Hoff DD, Powis G: Radiosensitization and stromal imaging response correlates for the HIF-1 inhibitor PX-478 given with or without chemotherapy in pancreatic cancer. Mol Cancer Ther. 2010 Jul;9(7):2057-67. doi: 10.1158/1535-7163.MCT-09-0768. Epub 2010 Jun 29."	Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Hydrocarbons, Halogenated; Acids, Carbocyclic"	Cl.Cl.N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O												CHEMBL4061538	
DB06083	Tapinarof	BE0003721	AHR	P35869	AHR_HUMAN	agonist			Approved; Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	Cytochrome P-450 CYP2D6 Substrates; Aryl Hydrocarbon Receptor Agonist; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Phenols; Benzylidene Compounds; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C19 Substrates	CC(C)C1=C(O)C=C(\C=C\C2=CC=CC=C2)C=C1O											Tapinarof	CHEMBL259571	2602286
DB06089	ICA-105665	BE0000672	KCNQ1	P51787	KCNQ1_HUMAN				Investigational										347910330							
DB06089	ICA-105665	BE0002398	KCNQ3	O43525	KCNQ3_HUMAN				Investigational										347910330							
DB06089	ICA-105665	BE0002399	KCNQ4	P56696	KCNQ4_HUMAN				Investigational										347910330							
DB06089	ICA-105665	BE0002400	KCNQ5	Q9NR82	KCNQ5_HUMAN				Investigational										347910330							
DB06089	ICA-105665	BE0000897	KCNQ2	O43526	KCNQ2_HUMAN				Investigational										347910330							
DB06090	Bradanicline	BE0002341	CHRNA7	P36544	ACHA7_HUMAN				Investigational	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans	"Receptors, Nicotinic; Heterocyclic Compounds, Fused-Ring"	[H][C@@]1(CC2=CC=CN=C2)N2CCC(CC2)[C@@]1([H])NC(=O)C1=CC2=C(O1)C=CC=C2						175427053					Bradanicline	CHEMBL1258006	
DB06096	NXN-188	BE0000067	NOS1	P29475	NOS1_HUMAN				Investigational										347910332							
DB06096	NXN-188	BE0000659	HTR1D	P28221	5HT1D_HUMAN				Investigational										347910332							
DB06097	GSK-923295	BE0003434	CENPE	Q02224	CENPE_HUMAN				Investigational										347910333							
DB06098	PRLX 93936	BE0002470	VDAC3	Q9Y277	VDAC3_HUMAN				Investigational										347910334							
DB06101	IMC-1C11	BE0000029	FLT1	P17948	VGFR1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347910335							
DB06101	IMC-1C11	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347910335							
DB06101	IMC-1C11	BE0000023	FLT4	P35916	VGFR3_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347910335							
DB06109	YKP-1358	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17259948	"Lim KS, Kwon JS, Jang IJ, Jeong JM, Lee JS, Kim HW, Kang WJ, Kim JR, Cho JY, Kim E, Yoo SY, Shin SG, Yu KS: Modeling of brain D2 receptor occupancy-plasma concentration relationships with a novel antipsychotic, YKP1358, using serial PET scans in healthy volunteers. Clin Pharmacol Ther. 2007 Feb;81(2):252-8."	Investigational			Serotonin Agents; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Neurotransmitter Agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Dopamine Antagonists; Dopamine Agents; Antidepressive Agents; Dopamine D2 Receptor Antagonists														
DB06124	L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal	BE0003470	CAPN3	P20807	CAN3_HUMAN				Investigational				CCOC(OCC)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C													
DB06137	Tirbanibulin	BE0000143	TUBB	P07437	TBB5_HUMAN	inhibitor	31628188; 22784709	"Niu L, Yang J, Yan W, Yu Y, Zheng Y, Ye H, Chen Q, Chen L: Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity. J Biol Chem. 2019 Nov 29;294(48):18099-18108. doi: 10.1074/jbc.RA119.010732. Epub 2019 Oct 18.@@Anbalagan M, Ali A, Jones RK, Marsden CG, Sheng M, Carrier L, Bu Y, Hangauer D, Rowan BG: Peptidomimetic Src/pretubulin inhibitor KX-01 alone and in combination with paclitaxel suppresses growth, metastasis in human ER/PR/HER2-negative tumor xenografts. Mol Cancer Ther. 2012 Sep;11(9):1936-47. doi: 10.1158/1535-7163.MCT-12-0146. Epub 2012 Jul 10."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Cytochrome P-450 CYP3A4 Inhibitors (weak); Tubulin Inhibiting Agent; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Fatty Acids; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Antineoplastic Agents; Cytochrome P-450 CYP3A4 Inhibitors; Fatty Acids, Volatile; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Lipids; MATE inhibitors; Acids, Acyclic; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 2 Inhibitors; Keratosis, Actinic, drug therapy; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Microtubule Inhibitors"	O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1					23842						Tirbanibulin	CHEMBL571546	2471078
DB06138	IRL-1620	BE0000043	EDNRB	P24530	EDNRB_HUMAN				Investigational			"Biological Factors; Intercellular Signaling Peptides and Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins"														
DB06144	Sertindole	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	16925508; 11752352; 19506838; 18293356; 20856607	"Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Mork A, Witten LM, Arnt J: Effect of sertindole on extracellular dopamine, acetylcholine, and glutamate in the medial prefrontal cortex of conscious rats: a comparison with risperidone and exploration of mechanisms involved. Psychopharmacology (Berl). 2009 Sep;206(1):39-49. doi: 10.1007/s00213-009-1578-4. Epub 2009 Jun 9.@@Seeman P: Dopamine D2(High) receptors moderately elevated by sertindole. Synapse. 2008 May;62(5):389-93. doi: 10.1002/syn.20498.@@Cincotta SL, Rodefer JS: Emerging role of sertindole in the management of schizophrenia. Neuropsychiatr Dis Treat. 2010 Sep 7;6:429-41."	Approved; Investigational; Withdrawn	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System"	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2						46504717	D00561	PA164784002		DAP000832	Sertindole	CHEMBL12713	41996
DB06144	Sertindole	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	16925508; 11594443	"Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34.@@Hietala J, Kuonnamaki M, Palvimaki EP, Laakso A, Majasuo H, Syvalahti E: Sertindole is a serotonin 5-HT2c inverse agonist and decreases agonist but not antagonist binding to 5-HT2c receptors after chronic treatment. Psychopharmacology (Berl). 2001 Sep;157(2):180-7."	Approved; Investigational; Withdrawn	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System"	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2						46504717	D00561	PA164784002		DAP000832	Sertindole	CHEMBL12713	41996
DB06144	Sertindole	BE0000501	ADRA1A	P35348	ADA1A_HUMAN		16925508; 11594443	"Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34.@@Hietala J, Kuonnamaki M, Palvimaki EP, Laakso A, Majasuo H, Syvalahti E: Sertindole is a serotonin 5-HT2c inverse agonist and decreases agonist but not antagonist binding to 5-HT2c receptors after chronic treatment. Psychopharmacology (Berl). 2001 Sep;157(2):180-7."	Approved; Investigational; Withdrawn	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System"	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2						46504717	D00561	PA164784002		DAP000832	Sertindole	CHEMBL12713	41996
DB06144	Sertindole	BE0000575	ADRA1B	P35368	ADA1B_HUMAN		16925508	"Lindstrom E, Levander S: Sertindole: efficacy and safety in schizophrenia. Expert Opin Pharmacother. 2006 Sep;7(13):1825-34."	Approved; Investigational; Withdrawn	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Serotonin 5-HT2C Receptor Antagonists; Indole Derivatives; Nervous System"	FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2						46504717	D00561	PA164784002		DAP000832	Sertindole	CHEMBL12713	41996
DB06148	Mianserin	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	11004734	"Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	12967590; 11004734; 6302549	"Csaba G, Kovacs P, Pallinger E: Prolonged effect of the tricyclic antidepressant, mianserin on the serotonin and histamine content of young rats' white blood cells and mast cells. A case of late-imprinting. Pharmacol Res. 2003 Nov;48(5):457-60.@@Grinshpoon A, Valevski A, Moskowitz M, Weizman A: Beneficial effect of the addition of the 5-HT 2A/2C and alpha2 antagonist mianserin to ongoing haloperidol treatment in drug-resistant chronically hospitalized schizophrenic patients. Eur Psychiatry. 2000 Sep;15(6):388-90.@@Nowak JZ, Arrang JM, Schwartz JC, Garbarg M: Interaction between mianserin, an antidepressant drug, and central H1- and H2-histamine-receptors: in vitro and in vivo studies and radioreceptor assay. Neuropharmacology. 1983 Mar;22(3):259-66."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000146	HRH4	Q9H3N8	HRH4_HUMAN	binder			Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000460	HTR1F	P30939	5HT1F_HUMAN	binder			Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000581	DRD3	P35462	DRD3_HUMAN	binder			Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	22708686	"Olianas MC, Dedoni S, Onali P: The atypical antidepressant mianserin exhibits agonist activity at kappa-opioid receptors. Br J Pharmacol. 2012 Nov;167(6):1329-41. doi: 10.1111/j.1476-5381.2012.02078.x."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	binder	9537821	"Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10997731	"Lucchelli A, Santagostino-Barbone MG, D'Agostino G, Masoero E, Tonini M: The interaction of antidepressant drugs with enteric 5-HT7 receptors. Naunyn Schmiedebergs Arch Pharmacol. 2000 Sep;362(3):284-9."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06148	Mianserin	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	2576228	"Terai M, Hidaka K, Nakamura Y: Comparison of [3H]YM-09151-2 with [3H]spiperone and [3H]raclopride for dopamine d-2 receptor binding to rat striatum. Eur J Pharmacol. 1989 Dec 7;173(2-3):177-82."	Approved; Investigational	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Psychoanaleptics; Dopamine Antagonists; Dopamine D2 Receptor Antagonists; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Dibenzazepines; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Antidepressive Agents, Second-Generation; Nervous System; Histamine Agents; Adrenergic Agents; Cytochrome P-450 CYP1A2 Substrates"	CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21						46508096		PA134687937		DAP000293	Mianserin	CHEMBL6437	6929
DB06151	Acetylcysteine	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN	activator	21118657	"Dean O, Giorlando F, Berk M: N-acetylcysteine in psychiatry: current therapeutic evidence and potential mechanisms of action. J Psychiatry Neurosci. 2011 Mar;36(2):78-86. doi: 10.1503/jpn.100057."	Approved; Investigational	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs"	CC(=O)N[C@@H](CS)C(O)=O					10303	99443235	D00221	PA448033		DNC000981	Acetylcysteine	CHEMBL600	197
DB06151	Acetylcysteine	BE0001154	IKBKB	O14920	IKKB_HUMAN	inhibitor	10788610	"Oka S, Kamata H, Kamata K, Yagisawa H, Hirata H: N-acetylcysteine suppresses TNF-induced NF-kappaB activation through inhibition of IkappaB kinases. FEBS Lett. 2000 Apr 28;472(2-3):196-202."	Approved; Investigational	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs"	CC(=O)N[C@@H](CS)C(O)=O					10303	99443235	D00221	PA448033		DNC000981	Acetylcysteine	CHEMBL600	197
DB06151	Acetylcysteine	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	activator	12183209; 27179791	"Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14."	Approved; Investigational	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs"	CC(=O)N[C@@H](CS)C(O)=O					10303	99443235	D00221	PA448033		DNC000981	Acetylcysteine	CHEMBL600	197
DB06151	Acetylcysteine	BE0000760	GRIN2A	Q12879	NMDE1_HUMAN	activator	12183209; 27179791	"Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14."	Approved; Investigational	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs"	CC(=O)N[C@@H](CS)C(O)=O					10303	99443235	D00221	PA448033		DNC000981	Acetylcysteine	CHEMBL600	197
DB06151	Acetylcysteine	BE0000641	GRIN3A	Q8TCU5	NMD3A_HUMAN	activator	12183209; 27179791	"Lipton SA, Choi YB, Takahashi H, Zhang D, Li W, Godzik A, Bankston LA: Cysteine regulation of protein function--as exemplified by NMDA-receptor modulation. Trends Neurosci. 2002 Sep;25(9):474-80.@@Wright DJ, Gray LJ, Finkelstein DI, Crouch PJ, Pow D, Pang TY, Li S, Smith ZM, Francis PS, Renoir T, Hannan AJ: N-acetylcysteine modulates glutamatergic dysfunction and depressive behavior in Huntington's disease. Hum Mol Genet. 2016 Jul 15;25(14):2923-2933. doi: 10.1093/hmg/ddw144. Epub 2016 May 14."	Approved; Investigational	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Increased Glutathione Concentration; OATP1B1/SLCO1B1 Inhibitors; Antioxidants; Protective Agents; Amino Acids, Peptides, and Proteins; Reduction Activity; Free Radical Scavengers; Expectorants; Amino Acids, Neutral; Amino Acids; Antidotes; Antidote for Acetaminophen Overdose; Cysteine; Respiratory System Agents; Compounds used in a research, industrial, or household setting; Ophthalmologicals; Amino Acids, Sulfur; Cough and Cold Preparations; Sulfur Compounds; Decreased Respiratory Secretion Viscosity; Sulfhydryl Compounds; Sensory Organs"	CC(=O)N[C@@H](CS)C(O)=O					10303	99443235	D00221	PA448033		DNC000981	Acetylcysteine	CHEMBL600	197
DB06152	Nylidrin	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	antagonist			Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Adrenergic beta-Agonists; Peripheral Vasodilators; Sympathomimetics, Labour Repressants; Amines; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Tocolytic Agents; Autonomic Agents; Amino Alcohols; Cardiovascular Agents; 2-Amino-1-Phenylethanol Derivatives; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Alcohols; Genito Urinary System and Sex Hormones; Adrenergic Agonists; Vasodilating Agents; Phenethylamines; Sympathomimetics; Agents that produce hypertension; Propanols; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Miscellaneous Vasodilatating Agents; Antiarrhythmic agents; Propanolamines; Neurotransmitter Agents; Bradycardia-Causing Agents; Ethylamines; Adrenergic Agents; Reproductive Control Agents"	CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1					9099	347827757					Nylidrin	CHEMBL114655	7595
DB06153	Pizotifen	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	1868883; 1377628	"Richards MH: Effects of cyproheptadine and pizotifen on central muscarinic receptors. Eur J Pharmacol. 1991 Apr 3;195(3):403-5.@@Eltze M, Mutschler E, Lambrecht G: Affinity profiles of pizotifen, ketotifen and other tricyclic antimuscarinics at muscarinic receptor subtypes M1, M2 and M3. Eur J Pharmacol. 1992 Feb 18;211(3):283-93."	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06153	Pizotifen	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	1377628	"Eltze M, Mutschler E, Lambrecht G: Affinity profiles of pizotifen, ketotifen and other tricyclic antimuscarinics at muscarinic receptor subtypes M1, M2 and M3. Eur J Pharmacol. 1992 Feb 18;211(3):283-93."	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06153	Pizotifen	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist			Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06153	Pizotifen	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	2045831	Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52.	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06153	Pizotifen	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	2045831	Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52.	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06153	Pizotifen	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	2045831	Mylecharane EJ: 5-HT2 receptor antagonists and migraine therapy. J Neurol. 1991;238 Suppl 1:S45-52.	Approved	Cycloheptathiophenes	Organic compounds; Organoheterocyclic compounds; Cycloheptathiophenes	"Sensory System Agents; Antimigraine Agents, Miscellaneous; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Agents producing tachycardia; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Anticholinergic Agents; Adrenergic Antagonists; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Antimigraine Preparations; Serotonin 5-HT2C Receptor Antagonists; Neurotransmitter Agents; Thiophenes; Nervous System; Sulfur Compounds"	CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2					12057	347827758					Pizotifen	CHEMBL294951	8373
DB06155	Rimonabant	BE0005802	GPR55	Q9Y2T6	GPR55_HUMAN		19723626	"Kapur A, Zhao P, Sharir H, Bai Y, Caron MG, Barak LS, Abood ME: Atypical responsiveness of the orphan receptor GPR55 to cannabinoid ligands. J Biol Chem. 2009 Oct 23;284(43):29817-27. doi: 10.1074/jbc.M109.050187. Epub 2009 Sep 1."	Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Receptor, Cannabinoid, CB1, antagonists & inhibitors; Piperidines; Cytochrome P-450 Substrates; Antiobesity Preparations, Excl. Diet Products; Pyrazoles; Anti-Obesity Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Cannabinoid Receptor Antagonists; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1						99443236	D05731	PA152407999		DNC001371	Rimonabant	CHEMBL111	
DB06156	Tesofensine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		17112503	"Larsen MH, Rosenbrock H, Sams-Dodd F, Mikkelsen JD: Expression of brain derived neurotrophic factor, activity-regulated cytoskeleton protein mRNA, and enhancement of adult hippocampal neurogenesis in rats after sub-chronic and chronic treatment with the triple monoamine re-uptake inhibitor tesofensine. Eur J Pharmacol. 2007 Jan 26;555(2-3):115-21. Epub 2006 Oct 19."	Investigational	Phenyltropanes	Organic compounds; Alkaloids and derivatives; Tropane alkaloids; Phenyltropanes	"Biogenic Monoamines, antagonists & inhibitors"	CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C											Tesofensine	CHEMBL3989690	
DB06156	Tesofensine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN		17112503	"Larsen MH, Rosenbrock H, Sams-Dodd F, Mikkelsen JD: Expression of brain derived neurotrophic factor, activity-regulated cytoskeleton protein mRNA, and enhancement of adult hippocampal neurogenesis in rats after sub-chronic and chronic treatment with the triple monoamine re-uptake inhibitor tesofensine. Eur J Pharmacol. 2007 Jan 26;555(2-3):115-21. Epub 2006 Oct 19."	Investigational	Phenyltropanes	Organic compounds; Alkaloids and derivatives; Tropane alkaloids; Phenyltropanes	"Biogenic Monoamines, antagonists & inhibitors"	CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C											Tesofensine	CHEMBL3989690	
DB06156	Tesofensine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN		17112503	"Larsen MH, Rosenbrock H, Sams-Dodd F, Mikkelsen JD: Expression of brain derived neurotrophic factor, activity-regulated cytoskeleton protein mRNA, and enhancement of adult hippocampal neurogenesis in rats after sub-chronic and chronic treatment with the triple monoamine re-uptake inhibitor tesofensine. Eur J Pharmacol. 2007 Jan 26;555(2-3):115-21. Epub 2006 Oct 19."	Investigational	Phenyltropanes	Organic compounds; Alkaloids and derivatives; Tropane alkaloids; Phenyltropanes	"Biogenic Monoamines, antagonists & inhibitors"	CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C											Tesofensine	CHEMBL3989690	
DB06157	Istaroxime	BE0003477	ATP2A2	P16615	AT2A2_HUMAN		17239702	"Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18."	Investigational			"Fused-Ring Compounds; Gonadal Steroid Hormones; Sodium-Potassium-Exchanging ATPase, antagonists & inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Ketosteroids; Androstanols; Androstanes; 17-Ketosteroids; Steroids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN											Istaroxime	CHEMBL2093999	
DB06157	Istaroxime	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		17239702	"Mattera GG, Lo Giudice P, Loi FM, Vanoli E, Gagnol JP, Borsini F, Carminati P: Istaroxime: a new luso-inotropic agent for heart failure. Am J Cardiol. 2007 Jan 22;99(2A):33A-40A. Epub 2006 Sep 18."	Investigational			"Fused-Ring Compounds; Gonadal Steroid Hormones; Sodium-Potassium-Exchanging ATPase, antagonists & inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Ketosteroids; Androstanols; Androstanes; 17-Ketosteroids; Steroids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN											Istaroxime	CHEMBL2093999	
DB06159	Rubitecan	BE0000971	TOP1	P11387	TOP1_HUMAN		16193332	"Chedid S, Rivera E, Frye DK, Ibrahim N, Esteva F, Valero V, Hortobagyi G, Mettinger KL, Cristofanilli M: Minimal clinical benefit of single agent Orathecin (Rubitecan) in heavily pretreated metastatic breast cancer. Cancer Chemother Pharmacol. 2006 Apr;57(4):540-4. Epub 2005 Sep 29."	Investigational			Enzyme Inhibitors; Topoisomerase Inhibitors; Alkaloids; Topoisomerase I Inhibitors; Antineoplastic Agents	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O							D04031				Rubitecan	CHEMBL77305	
DB06162	Lumiliximab	BE0003465	FCER2	P06734	FCER2_HUMAN	antibody	18032710; 21317446	"Pathan NI, Chu P, Hariharan K, Cheney C, Molina A, Byrd J: Mediation of apoptosis by and antitumor activity of lumiliximab in chronic lymphocytic leukemia cells and CD23+ lymphoma cell lines. Blood. 2008 Feb 1;111(3):1594-602. Epub 2007 Nov 21.@@Schnaiter A, Stilgenbauer S: Refractory chronic lymphocytic leukemia--new therapeutic strategies. Oncotarget. 2010 Nov;1(7):472-82. doi: 10.18632/oncotarget.101103."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Lumiliximab		
DB06176	Romidepsin	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	antagonist	21587264	"VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C					21095	310264861	D06637	PA166161306			Romidepsin	CHEMBL343448	877510
DB06176	Romidepsin	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	antagonist	21587264	"VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C					21095	310264861	D06637	PA166161306			Romidepsin	CHEMBL343448	877510
DB06176	Romidepsin	BE0003523	HDAC4	P56524	HDAC4_HUMAN	inhibitor	21587264	"VanderMolen KM, McCulloch W, Pearce CJ, Oberlies NH: Romidepsin (Istodax, NSC 630176, FR901228, FK228, depsipeptide): a natural product recently approved for cutaneous T-cell lymphoma. J Antibiot (Tokyo). 2011 Aug;64(8):525-31. doi: 10.1038/ja.2011.35. Epub 2011 May 18."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C					21095	310264861	D06637	PA166161306			Romidepsin	CHEMBL343448	877510
DB06176	Romidepsin	BE0000785	ABCC1	P33527	MRP1_HUMAN		15634944	"Xiao JJ, Foraker AB, Swaan PW, Liu S, Huang Y, Dai Z, Chen J, Sadee W, Byrd J, Marcucci G, Chan KK: Efflux of depsipeptide FK228 (FR901228, NSC-630176) is mediated by P-glycoprotein and multidrug resistance-associated protein 1. J Pharmacol Exp Ther. 2005 Apr;313(1):268-76. Epub 2005 Jan 5."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C					21095	310264861	D06637	PA166161306			Romidepsin	CHEMBL343448	877510
DB06176	Romidepsin	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	12678732	"Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Enzyme Inhibitors; Peptides, Cyclic; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Histone deacetylase (HDAC) inhibitors; OAT1/SLC22A6 inhibitors; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Peptides; Antibiotics, Antineoplastic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; OATP1B3 substrates; BSEP/ABCB11 Inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C					21095	310264861	D06637	PA166161306			Romidepsin	CHEMBL343448	877510
DB06184	AEG35156	BE0001156	XIAP	P98170	XIAP_HUMAN		16394139; 18027851	"Lacasse EC, Kandimalla ER, Winocour P, Sullivan T, Agrawal S, Gillard JW, Durkin J: Application of XIAP antisense to cancer and other proliferative disorders: development of AEG35156/ GEM640. Ann N Y Acad Sci. 2005 Nov;1058:215-34.@@Shaw TJ, Lacasse EC, Durkin JP, Vanderhyden BC: Downregulation of XIAP expression in ovarian cancer cells induces cell death in vitro and in vivo. Int J Cancer. 2008 Mar 15;122(6):1430-4."	Investigational			"Nucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Polynucleotides"														
DB06191	Zosuquidar	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	18157518	"Nies AT, Herrmann E, Brom M, Keppler D: Vectorial transport of the plant alkaloid berberine by double-transfected cells expressing the human organic cation transporter 1 (OCT1, SLC22A1) and the efflux pump MDR1 P-glycoprotein (ABCB1). Naunyn Schmiedebergs Arch Pharmacol. 2008 Feb;376(6):449-61. Epub 2007 Dec 19."	Investigational			"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Benzocycloheptenes; Drug Resistance, Multiple"	[H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F											Zosuquidar	CHEMBL444172	
DB06194	Elocalcitol	BE0000779	VDR	P11473	VDR_HUMAN		17241782	"Adorini L, Penna G, Amuchastegui S, Cossetti C, Aquilano F, Mariani R, Fibbi B, Morelli A, Uskokovic M, Colli E, Maggi M: Inhibition of prostate growth and inflammation by the vitamin D receptor agonist BXL-628 (elocalcitol). J Steroid Biochem Mol Biol. 2007 Mar;103(3-5):689-93. Epub 2007 Jan 22."	Investigational	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	Cholestanes; Fused-Ring Compounds; Sterols; Vitamins; Vitamins (Fat Soluble); Vitamin D and Analogues; Lipids; Cholestenes; Steroids; Membrane Lipids; Secosteroids	CCC(O)(CC)\C=C\C[C@H](C)C1=CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@](F)([H])C1=C													
DB06195	Seliciclib	BE0000923	MAPK1	P28482	MK01_HUMAN		17108108	"Iurisci I, Filipski E, Reinhardt J, Bach S, Gianella-Borradori A, Iacobelli S, Meijer L, Levi F: Improved tumor control through circadian clock induction by Seliciclib, a cyclin-dependent kinase inhibitor. Cancer Res. 2006 Nov 15;66(22):10720-8."	Investigational	6-alkylaminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Purines; Enzyme Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1											Seliciclib	CHEMBL14762	
DB06196	Icatibant	BE0003513	BDKRB2	P30411	BKRB2_HUMAN	antagonist	14514033; 11752352	"Privitera PJ, Beckstead RM, Yates P, Walgren R: Autoradiographic localization of [125I-Tyr0]bradykinin binding sites in brains of Wistar-Kyoto and spontaneously hypertensive rats. Cell Mol Neurobiol. 2003 Oct;23(4-5):805-15.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Kinins; Sensory System Agents; Inflammation Mediators; Intercellular Signaling Peptides and Proteins; Anti-Inflammatory Agents; Agents causing angioedema; Bradykinin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Nerve Tissue Proteins; Complement Inactivating Agents; Proteins; Drugs that are Mainly Renally Excreted; Biological Factors; Oligopeptides; Analgesics, Non-Narcotic; Neuropeptides; Peptides; Bradykinin B2 Receptor Antagonists; Analgesics; Peripheral Nervous System Agents; Autacoids; Antirheumatic Agents"						22341	99443237	D04492	PA164749185		DCL000131	Icatibant	CHEMBL2028850	1148138
DB06196	Icatibant	BE0001078	ANPEP	P15144	AMPN_HUMAN	inhibitor	17026984	"Bawolak MT, Fortin JP, Vogel LK, Adam A, Marceau F: The bradykinin B2 receptor antagonist icatibant (Hoe 140) blocks aminopeptidase N at micromolar concentrations: off-target alterations of signaling mediated by the bradykinin B1 and angiotensin receptors. Eur J Pharmacol. 2006 Dec 3;551(1-3):108-11. Epub 2006 Sep 8."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Kinins; Sensory System Agents; Inflammation Mediators; Intercellular Signaling Peptides and Proteins; Anti-Inflammatory Agents; Agents causing angioedema; Bradykinin Receptor Antagonists; Amino Acids, Peptides, and Proteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Nerve Tissue Proteins; Complement Inactivating Agents; Proteins; Drugs that are Mainly Renally Excreted; Biological Factors; Oligopeptides; Analgesics, Non-Narcotic; Neuropeptides; Peptides; Bradykinin B2 Receptor Antagonists; Analgesics; Peripheral Nervous System Agents; Autacoids; Antirheumatic Agents"						22341	99443237	D04492	PA164749185		DCL000131	Icatibant	CHEMBL2028850	1148138
DB06199	Atrasentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN		12563310; 16458417; 16563629	"Nelson J, Bagnato A, Battistini B, Nisen P: The endothelin axis: emerging role in cancer. Nat Rev Cancer. 2003 Feb;3(2):110-6.@@Cella D, Petrylak DP, Fishman M, Teigland C, Young J, Mulani P: Role of quality of life in men with metastatic hormone-refractory prostate cancer: how does atrasentan influence quality of life? Eur Urol. 2006 May;49(5):781-9. Epub 2006 Jan 19.@@Chichorro JG, Zampronio AR, Souza GE, Rae GA: Orofacial cold hyperalgesia due to infraorbital nerve constriction injury in rats: reversal by endothelin receptor antagonists but not non-steroidal anti-inflammatory drugs. Pain. 2006 Jul;123(1-2):64-74. Epub 2006 Mar 24."	Investigational	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines	"Endothelin A Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Pyrrolidines; OATP1B1/SLCO1B1 Substrates; Endothelin Receptor Antagonists; Benzodioxoles; Antineoplastic Agents; Dioxoles"	CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1											Atrasentan	CHEMBL9194	
DB06201	Rufinamide	BE0001143	SCN9A	Q15858	SCN9A_HUMAN	modulator	23221868	"Suter MR, Kirschmann G, Laedermann CJ, Abriel H, Decosterd I: Rufinamide attenuates mechanical allodynia in a model of neuropathic pain in the mouse and stabilizes voltage-gated sodium channel inactivated state. Anesthesiology. 2013 Jan;118(1):160-72. doi: 10.1097/ALN.0b013e318278cade."	Approved	2-heteroaryl carboxamides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Sodium Channel Blockers; Cytochrome P-450 CYP2E1 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inducers; Carboxamide Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inducers (weak); Membrane Transport Modulators; Anticonvulsants	NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1					20811	175427055	D05775	PA166131606			Rufinamide	CHEMBL1201754	69036
DB06201	Rufinamide	BE0001192	GRM5	P41594	GRM5_HUMAN	inhibitor	21351809	"Wier HA, Cerna A, So TY: Rufinamide for pediatric patients with Lennox-Gastaut syndrome: a comprehensive overview. Paediatr Drugs. 2011 Apr 1;13(2):97-106. doi: 10.2165/11586920-000000000-00000."	Approved	2-heteroaryl carboxamides	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	Sodium Channel Blockers; Cytochrome P-450 CYP2E1 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inducers; Carboxamide Derivatives; Nervous System; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inducers (weak); Membrane Transport Modulators; Anticonvulsants	NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1					20811	175427055	D05775	PA166131606			Rufinamide	CHEMBL1201754	69036
DB06202	Lasofoxifene	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	17456742	"Vajdos FF, Hoth LR, Geoghegan KF, Simons SP, LeMotte PK, Danley DE, Ammirati MJ, Pandit J: The 2.0 A crystal structure of the ERalpha ligand-binding domain complexed with lasofoxifene. Protein Sci. 2007 May;16(5):897-905."	Approved; Investigational	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes	Selective Estrogen Receptor Modulators; Naphthalenes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones	[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1						347827762	D04672				Lasofoxifene	CHEMBL328190	
DB06202	Lasofoxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	19519291	"Peng J, Sengupta S, Jordan VC: Potential of selective estrogen receptor modulators as treatments and preventives of breast cancer. Anticancer Agents Med Chem. 2009 Jun;9(5):481-99."	Approved; Investigational	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes	Selective Estrogen Receptor Modulators; Naphthalenes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones	[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1						347827762	D04672				Lasofoxifene	CHEMBL328190	
DB06202	Lasofoxifene	BE0000095	CNR2	P34972	CNR2_HUMAN	inverse agonist	24275139	"Kumar P, Song ZH: CB2 cannabinoid receptor is a novel target for third-generation selective estrogen receptor modulators bazedoxifene and lasofoxifene. Biochem Biophys Res Commun. 2014 Jan 3;443(1):144-9. doi: 10.1016/j.bbrc.2013.11.071. Epub 2013 Nov 23."	Approved; Investigational	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes	Selective Estrogen Receptor Modulators; Naphthalenes; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones	[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1						347827762	D04672				Lasofoxifene	CHEMBL328190	
DB06204	Tapentadol	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17656655; 24015138; 27413479; 36974332	"Tzschentke TM, Christoph T, Kogel B, Schiene K, Hennies HH, Englberger W, Haurand M, Jahnel U, Cremers TI, Friderichs E, De Vry J: (-)-(1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol hydrochloride (tapentadol HCl): a novel mu-opioid receptor agonist/norepinephrine reuptake inhibitor with broad-spectrum analgesic properties. J Pharmacol Exp Ther. 2007 Oct;323(1):265-76. Epub 2007 Jul 26.@@Singh DR, Nag K, Shetti AN, Krishnaveni N: Tapentadol hydrochloride: A novel analgesic. Saudi J Anaesth. 2013 Jul;7(3):322-6. doi: 10.4103/1658-354X.115319.@@Chang EJ, Choi EJ, Kim KH: Tapentadol: Can It Kill Two Birds with One Stone without Breaking Windows? Korean J Pain. 2016 Jul;29(3):153-7. doi: 10.3344/kjp.2016.29.3.153. Epub 2016 Jul 1.@@Alshehri FS: Tapentadol: A Review of Experimental Pharmacology Studies, Clinical Trials, and Recent Findings. Drug Des Devel Ther. 2023 Mar 21;17:851-861. doi: 10.2147/DDDT.S402362. eCollection 2023."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Sensory System Agents; UGT2B7 substrates; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Phenols; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Opioids	CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1					20642	175427057	D06007	PA166179720			Tapentadol	CHEMBL1201776	787390
DB06204	Tapentadol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	10592235; 24015138; 27413479; 36974332	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Singh DR, Nag K, Shetti AN, Krishnaveni N: Tapentadol hydrochloride: A novel analgesic. Saudi J Anaesth. 2013 Jul;7(3):322-6. doi: 10.4103/1658-354X.115319.@@Chang EJ, Choi EJ, Kim KH: Tapentadol: Can It Kill Two Birds with One Stone without Breaking Windows? Korean J Pain. 2016 Jul;29(3):153-7. doi: 10.3344/kjp.2016.29.3.153. Epub 2016 Jul 1.@@Alshehri FS: Tapentadol: A Review of Experimental Pharmacology Studies, Clinical Trials, and Recent Findings. Drug Des Devel Ther. 2023 Mar 21;17:851-861. doi: 10.2147/DDDT.S402362. eCollection 2023."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Sensory System Agents; UGT2B7 substrates; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Phenols; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Opioids	CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1					20642	175427057	D06007	PA166179720			Tapentadol	CHEMBL1201776	787390
DB06204	Tapentadol	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	22698264; 36974332	"Raffa RB, Buschmann H, Christoph T, Eichenbaum G, Englberger W, Flores CM, Hertrampf T, Kogel B, Schiene K, Strassburger W, Terlinden R, Tzschentke TM: Mechanistic and functional differentiation of tapentadol and tramadol. Expert Opin Pharmacother. 2012 Jul;13(10):1437-49. doi: 10.1517/14656566.2012.696097. Epub 2012 Jun 15.@@Alshehri FS: Tapentadol: A Review of Experimental Pharmacology Studies, Clinical Trials, and Recent Findings. Drug Des Devel Ther. 2023 Mar 21;17:851-861. doi: 10.2147/DDDT.S402362. eCollection 2023."	Approved	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Sensory System Agents; UGT2B7 substrates; Narcotics; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Neurotransmitter Uptake Inhibitors; Benzene Derivatives; Antidepressive Agents; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Phenols; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Opiate Agonists; Opioid Agonist; Peripheral Nervous System Agents; Analgesics; Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Adrenergic Agents; Opioids	CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1					20642	175427057	D06007	PA166179720			Tapentadol	CHEMBL1201776	787390
DB06205	Hyaluronidase (human recombinant)	BE0000984	TGFB1	P01137	TGFB1_HUMAN	inhibitor	11327694; 7648625; 9435505; 9850732	"Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Lyases; Polysaccharide-Lyases; Glycoside Hydrolases; Carbon-Oxygen Lyases; Blood and Blood Forming Organs; Enzymes and Coenzymes; Hydrolases; Hyaluronoglucosaminidase, antagonists & inhibitors; Enzymes"						23269	347910342					Hyaluronidase		1300478
DB06207	Silodosin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	21114397; 17603160; 24198606	"Lepor H, Hill LA: Silodosin for the treatment of benign prostatic hyperplasia: pharmacology and cardiovascular tolerability. Pharmacotherapy. 2010 Dec;30(12):1303-12. doi: 10.1592/phco.30.12.1303.@@Yamada S, Kato Y, Okura T, Kagawa Y, Kawabe K: Prediction of alpha1-adrenoceptor occupancy in the human prostate from plasma concentrations of silodosin, tamsulosin and terazosin to treat urinary obstruction in benign prostatic hyperplasia. Biol Pharm Bull. 2007 Jul;30(7):1237-41.@@Yamanishi T, Mizuno T, Kamai T, Yoshida K, Sakakibara R, Uchiyama T: Management of benign prostatic hyperplasia with silodosin. Open Access J Urol. 2009 Aug 20;1:1-7. doi: 10.2147/rru.s5004."	Approved	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"UGT2B7 substrates; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy"	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F					20659	175427058	D01965	PA165291889			Silodosin	CHEMBL24778	720825
DB06207	Silodosin	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	21114397; 12002804; 24198606	"Lepor H, Hill LA: Silodosin for the treatment of benign prostatic hyperplasia: pharmacology and cardiovascular tolerability. Pharmacotherapy. 2010 Dec;30(12):1303-12. doi: 10.1592/phco.30.12.1303.@@Sugawara T, Hirasawa A, Hashimoto K, Tsujimoto G: Differences in the subcellular localization of alpha1-adrenoceptor subtypes can affect the subtype selectivity of drugs in a study with the fluorescent ligand BODIPY FL-prazosin. Life Sci. 2002 Mar 22;70(18):2113-24. doi: 10.1016/s0024-3205(01)01533-8.@@Yamanishi T, Mizuno T, Kamai T, Yoshida K, Sakakibara R, Uchiyama T: Management of benign prostatic hyperplasia with silodosin. Open Access J Urol. 2009 Aug 20;1:1-7. doi: 10.2147/rru.s5004."	Approved	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"UGT2B7 substrates; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy"	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F					20659	175427058	D01965	PA165291889			Silodosin	CHEMBL24778	720825
DB06207	Silodosin	BE0009629	KCNH2	Q9NS40	KCNH7_HUMAN	blocker	17225563	"Tatemichi S, Kiguchi S, Kobayashi M, Yamazaki Y, Shibata N, Uruno T: Cardiovascular effects of the selective alphalA-adrenoceptor antagonist silodosin (KMD-3213), a drug for the treatment of voiding dysfunction. Arzneimittelforschung. 2006;56(10):682-7. doi: 10.1055/s-0031-1296773."	Approved	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"UGT2B7 substrates; Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Urological Agents; Cytochrome P-450 Substrates; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Urologicals; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Selective Alfa-1-adrenergic Blocking Agents; Neurotransmitter Agents; Adrenergic Agents; Drugs Used in Benign Prostatic Hypertrophy"	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F					20659	175427058	D01965	PA165291889			Silodosin	CHEMBL24778	720825
DB06209	Prasugrel	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	18485086	"Dovlatova NL, Jakubowski JA, Sugidachi A, Heptinstall S: The reversible P2Y antagonist cangrelor influences the ability of the active metabolites of clopidogrel and prasugrel to produce irreversible inhibition of platelet function. J Thromb Haemost. 2008 Jul;6(7):1153-9. doi: 10.1111/j.1538-7836.2008.03020.x. Epub 2008 Jul 1."	Approved	Thienopyridines	Organic compounds; Organoheterocyclic compounds; Thienopyridines	Purinergic P2Y Receptor Antagonists; Piperazines; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Platelet Aggregation Inhibitors Excl. Heparin; Drugs that are Mainly Renally Excreted; P2Y12 Platelet Inhibitor; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Substrates; Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Substrates; Thiophenes; Hematologic Agents; Sulfur Compounds	CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1					20588	99443238	D05597	PA154410481			Prasugrel	CHEMBL1201772	613391
DB06216	Asenapine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	21655346; 21658377; 18308814	"Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Tadori Y, Forbes RA, McQuade RD, Kikuchi T: Functional potencies of dopamine agonists and antagonists at human dopamine D(2) and D(3) receptors. Eur J Pharmacol. 2011 Sep;666(1-3):43-52. doi: 10.1016/j.ejphar.2011.05.050. Epub 2011 Jun 1.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	10592235; 21655346; 18308814	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	21655346; 18308814	"Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	21655346; 21658377; 18308814	"Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Tadori Y, Forbes RA, McQuade RD, Kikuchi T: Functional potencies of dopamine agonists and antagonists at human dopamine D(2) and D(3) receptors. Eur J Pharmacol. 2011 Sep;666(1-3):43-52. doi: 10.1016/j.ejphar.2011.05.050. Epub 2011 Jun 1.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	18308814	"Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	21655346; 18308814	"Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06216	Asenapine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	21655346; 18308814	"Citrome L: Role of sublingual asenapine in treatment of schizophrenia. Neuropsychiatr Dis Treat. 2011;7:325-39. doi: 10.2147/NDT.S16077. Epub 2011 May 26.@@Shahid M, Walker GB, Zorn SH, Wong EH: Asenapine: a novel psychopharmacologic agent with a unique human receptor signature. J Psychopharmacol. 2009 Jan;23(1):65-73. doi: 10.1177/0269881107082944. Epub 2008 Feb 28."	Approved			"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Histamine H2 Antagonists; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Benzocycloheptenes; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Acid Reducers; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; UGT1A4 substrates; Highest Risk QTc-Prolonging Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1					21015	175427062	D02995				Asenapine	CHEMBL3187365	784649
DB06217	Vernakalant	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	blocker	20592320	"Finnin M: Vernakalant: A novel agent for the termination of atrial fibrillation. Am J Health Syst Pharm. 2010 Jul 15;67(14):1157-64. doi: 10.2146/ajhp080501.@@Dia E.Q., Rathbun R.A., Song J.C.: Vernakalant: A novel antiarrhythmic agent for the treatment of atrial fibrillation Formulary. 2007 August 1;42:475-483."	Approved; Investigational	Tyrosols and derivatives	Organic compounds; Benzenoids; Phenols; Tyrosols and derivatives	"Antiarrhythmic agents; Cytochrome P-450 CYP2D6 Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Methyl Ethers; QTc Prolonging Agents; Cardiac Therapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Phenyl Ethers; Ethers; Benzene Derivatives; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmics, Class III"	COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1					22861	347827765	D06665				Vernakalant	CHEMBL2111112	
DB06217	Vernakalant	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	blocker		"Dia E.Q., Rathbun R.A., Song J.C.: Vernakalant: A novel antiarrhythmic agent for the treatment of atrial fibrillation Formulary. 2007 August 1;42:475-483."	Approved; Investigational	Tyrosols and derivatives	Organic compounds; Benzenoids; Phenols; Tyrosols and derivatives	"Antiarrhythmic agents; Cytochrome P-450 CYP2D6 Inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP2D6 Substrates; Methyl Ethers; QTc Prolonging Agents; Cardiac Therapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Phenyl Ethers; Ethers; Benzene Derivatives; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmics, Class III"	COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1					22861	347827765	D06665				Vernakalant	CHEMBL2111112	
DB06218	Lacosamide	BE0001143	SCN9A	Q15858	SCN9A_HUMAN	blocker	18378801	"Sheets PL, Heers C, Stoehr T, Cummins TR: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther. 2008 Jul;326(1):89-99. doi: 10.1124/jpet.107.133413. Epub 2008 Mar 31."	Approved	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sodium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Amides; Hydrocarbons, Acyclic; Miscellaneous Anticonvulsants; Cardiovascular Agents; Acetamides; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkanes; Acetates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1					20636	175427063	D07299	PA166160048			Lacosamide	CHEMBL58323	623400
DB06218	Lacosamide	BE0002082	SCN3A	Q9NY46	SCN3A_HUMAN	blocker	10592235; 18378801	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Sheets PL, Heers C, Stoehr T, Cummins TR: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther. 2008 Jul;326(1):89-99. doi: 10.1124/jpet.107.133413. Epub 2008 Mar 31."	Approved	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sodium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Amides; Hydrocarbons, Acyclic; Miscellaneous Anticonvulsants; Cardiovascular Agents; Acetamides; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkanes; Acetates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1					20636	175427063	D07299	PA166160048			Lacosamide	CHEMBL58323	623400
DB06218	Lacosamide	BE0000177	SCN10A	Q9Y5Y9	SCNAA_HUMAN	blocker	10592235; 18378801	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Sheets PL, Heers C, Stoehr T, Cummins TR: Differential block of sensory neuronal voltage-gated sodium channels by lacosamide [(2R)-2-(acetylamino)-N-benzyl-3-methoxypropanamide], lidocaine, and carbamazepine. J Pharmacol Exp Ther. 2008 Jul;326(1):89-99. doi: 10.1124/jpet.107.133413. Epub 2008 Mar 31."	Approved	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sodium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Amides; Hydrocarbons, Acyclic; Miscellaneous Anticonvulsants; Cardiovascular Agents; Acetamides; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkanes; Acetates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Voltage-Gated Sodium Channel Blockers; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Bradycardia-Causing Agents; Nervous System; Anti-epileptic Agent; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Decreased Central Nervous System Disorganized Electrical Activity; Anticonvulsants"	COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1					20636	175427063	D07299	PA166160048			Lacosamide	CHEMBL58323	623400
DB06226	Nelipepimut-S	BE0003482	HLA-A	P04439	1A03_HUMAN				Investigational			"Protein-Tyrosine Kinases; Phosphotransferases (Alcohol Group Acceptor); Biomarkers, Tumor; Enzymes and Coenzymes; Protein Kinases; Transferases; Receptor, Epidermal Growth Factor; Amino Acids, Peptides, and Proteins; Proteins; Receptors, Peptide; Neoplasm Proteins; Biomarkers; Isoantigens; Phosphotransferases; Cancer Vaccines; Enzymes; Receptors, Growth Factor; Oncogene Proteins; Membrane Proteins; Biological Factors; Peptides; Histocompatibility Antigens; Antigens; Antigens, Surface; Receptor Protein-Tyrosine Kinases; Intracellular Signaling Peptides and Proteins; Minor Histocompatibility Antigens; Proto-Oncogene Proteins"												E75		
DB06226	Nelipepimut-S	BE0003483	HLA-A	P04439	1A03_HUMAN				Investigational			"Protein-Tyrosine Kinases; Phosphotransferases (Alcohol Group Acceptor); Biomarkers, Tumor; Enzymes and Coenzymes; Protein Kinases; Transferases; Receptor, Epidermal Growth Factor; Amino Acids, Peptides, and Proteins; Proteins; Receptors, Peptide; Neoplasm Proteins; Biomarkers; Isoantigens; Phosphotransferases; Cancer Vaccines; Enzymes; Receptors, Growth Factor; Oncogene Proteins; Membrane Proteins; Biological Factors; Peptides; Histocompatibility Antigens; Antigens; Antigens, Surface; Receptor Protein-Tyrosine Kinases; Intracellular Signaling Peptides and Proteins; Minor Histocompatibility Antigens; Proto-Oncogene Proteins"												E75		
DB06229	Ocaperidone	BE0000756	DRD2	P14416	DRD2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Pyrimidines	CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12											Ocaperidone	CHEMBL2104619	
DB06229	Ocaperidone	BE0000442	HRH1	P35367	HRH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Pyrimidines	CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12											Ocaperidone	CHEMBL2104619	
DB06229	Ocaperidone	BE0000501	ADRA1A	P35348	ADA1A_HUMAN				Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Pyrimidines	CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12											Ocaperidone	CHEMBL2104619	
DB06229	Ocaperidone	BE0000575	ADRA1B	P35368	ADA1B_HUMAN				Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Pyrimidines	CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12											Ocaperidone	CHEMBL2104619	
DB06229	Ocaperidone	BE0000533	HTR2C	P28335	5HT2C_HUMAN				Investigational	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	Pyrimidines	CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12											Ocaperidone	CHEMBL2104619	
DB06230	Nalmefene	BE0000632	OPRK1	P41145	OPRK_HUMAN	partial agonist	9862779; 27842940	"Kreek MJ, Schluger J, Borg L, Gunduz M, Ho A: Dynorphin A1-13 causes elevation of serum levels of prolactin through an opioid receptor mechanism in humans: gender differences and implications for modulation of dopaminergic tone in the treatment of addictions. J Pharmacol Exp Ther. 1999 Jan;288(1):260-9.@@Mann K, Torup L, Sorensen P, Gual A, Swift R, Walker B, van den Brink W: Nalmefene for the management of alcohol dependence: review on its pharmacology, mechanism of action and meta-analysis on its clinical efficacy. Eur Neuropsychopharmacol. 2016 Dec;26(12):1941-1949. doi: 10.1016/j.euroneuro.2016.10.008. Epub 2016 Nov 12."	Approved; Investigational; Withdrawn	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Drugs Used in Addictive Disorders; Cytochrome P-450 Substrates; Alkaloids; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A5 Substrates; Drugs Used in Alcohol Dependence; Heterocyclic Compounds, Fused-Ring; Antidotes; UGT1A3 substrates; Antipruritics; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids"	OC1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](OC1=C24)C(=C)CC[C@@]35O							D05111				Nalmefene	CHEMBL982	31479
DB06231	Caldaret	BE0000986	SLC8A1	P32418	NAC1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Acids; Arylsulfonic Acids; Arylsulfonates; Sulfur Compounds; Sulfonic Acids; Benzene Derivatives	CC1=CC=C(N2CCNCC2)C(=C1)S(O)(=O)=O												CHEMBL2106572	
DB06233	Ridaforolimus	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	23841999; 26199039; 25290091	"Bachegowda L, Gligich O, Mantzaris I, Schinke C, Wyville D, Carrillo T, Braunschweig I, Steidl U, Verma A: Signal transduction inhibitors in treatment of myelodysplastic syndromes. J Hematol Oncol. 2013 Jul 10;6:50. doi: 10.1186/1756-8722-6-50.@@Piha-Paul SA, Munster PN, Hollebecque A, Argiles G, Dajani O, Cheng JD, Wang R, Swift A, Tosolini A, Gupta S: Results of a phase 1 trial combining ridaforolimus and MK-0752 in patients with advanced solid tumours. Eur J Cancer. 2015 Sep;51(14):1865-73. doi: 10.1016/j.ejca.2015.06.115. Epub 2015 Jul 18.@@Brana I, Berger R, Golan T, Haluska P, Edenfield J, Fiorica J, Stephenson J, Martin LP, Westin S, Hanjani P, Jones MB, Almhanna K, Wenham RM, Sullivan DM, Dalton WS, Gunchenko A, Cheng JD, Siu LL, Gray JE: A parallel-arm phase I trial of the humanised anti-IGF-1R antibody dalotuzumab in combination with the AKT inhibitor MK-2206, the mTOR inhibitor ridaforolimus, or the NOTCH inhibitor MK-0752, in patients with advanced solid tumours. Br J Cancer. 2014 Nov 11;111(10):1932-44. doi: 10.1038/bjc.2014.497. Epub 2014 Oct 7."	Investigational	Macrolide lactams	Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams	Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactones; Macrolides; Mammalian target of rapamycin (mTOR) kinase inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors	CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O											Deforolimus	CHEMBL2103839	
DB06237	Avanafil	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	23372609	"Kedia GT, Uckert S, Assadi-Pour F, Kuczyk MA, Albrecht K: Avanafil for the treatment of erectile dysfunction: initial data and clinical key properties. Ther Adv Urol. 2013 Feb;5(1):35-41. doi: 10.1177/1756287212466282."	Approved	Pyrimidinecarboxamides	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Phosphodiesterase 5 Inhibitors; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Drugs Used in Erectile Dysfunction; Phosphodiesterase Inhibitors	COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1						175427065	D03217				Avanafil	CHEMBL1963681	1291301
DB06240	Tariquidar	BE0001032	ABCB1	P08183	MDR1_HUMAN				Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drug Resistance, Multiple"	COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=CC(OC)=C(OC)C=C4NC(=O)C4=CN=C5C=CC=CC5=C4)C=C3)CC2)C=C1OC											Tariquidar	CHEMBL348475	
DB06241	Clenoliximab	BE0003488	CD4	P01730	CD4_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Antigens, CD4; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Clenoliximab		
DB06243	Eflornithine	BE0000404	ODC1	P11926	DCOR_HUMAN	inhibitor	1730582	"Poulin R, Lu L, Ackermann B, Bey P, Pegg AE: Mechanism of the irreversible inactivation of mouse ornithine decarboxylase by alpha-difluoromethylornithine. Characterization of sequences at the inhibitor and coenzyme binding sites. J Biol Chem. 1992 Jan 5;267(1):150-8."	Approved; Withdrawn	Alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amino Acids, Basic; Anti-Infective Agents; Enzyme Inhibitors; Ornithine Decarboxylase Inhibitors; Amino Acids, Peptides, and Proteins; Antiparasitic Products, Insecticides and Repellents; Trypanocidal Agents; Antiprotozoals; Decarboxylase Inhibitor; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Decarboxylase Inhibitors; Agents Against Leishmaniasis and Trypanosomiasis; Amino Acids, Diamino; Antiparasitic Agents; Antineoplastic Agents"	NCCCC(N)(C(F)F)C(O)=O					12187	310264864	D07883				Eflornithine	CHEMBL830	569
DB06245	Lanoteplase	BE0001091	KLK1	P06870	KLK1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002103	LAMA5	O15230	LAMA5_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0001180	FN1	P02751	FINC_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002104	CLEC3B	P05452	TETN_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002105	KRT8	P05787	K2C8_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0001170	ANXA2	P07355	ANXA2_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002106	LAMB1	P07942	LAMB1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002107	LAMC1	P11047	LAMC1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002108	LAMA1	P25391	LAMA1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002110	LRP1	Q07954	LRP1_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06245	Lanoteplase	BE0002111	LAMA3	Q16787	LAMA3_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Plasminogen Activators; Hydrolases; Enzymes and Coenzymes; Agents causing angioedema; Serine Proteases; Endopeptidases; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"														
DB06246	Exisulind	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor	22155003	"Zheng X, Zhang L, Zhai J, Chen Y, Luo H, Hu X: The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. FEBS Lett. 2012 Jan 2;586(1):55-9. doi: 10.1016/j.febslet.2011.11.023. Epub 2011  Dec 8."	Investigational			"Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O											Exisulind	CHEMBL488025	
DB06246	Exisulind	BE0001287	PDE4D	Q08499	PDE4D_HUMAN				Investigational			"Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O											Exisulind	CHEMBL488025	
DB06246	Exisulind	BE0000182	PDE5A	O76074	PDE5A_HUMAN				Investigational			"Sensory System Agents; Cyclooxygenase Inhibitors; Anticarcinogenic Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Indenes; Protective Agents; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Compounds used in a research, industrial, or household setting"	CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O											Exisulind	CHEMBL488025	
DB06247	CX516	BE0000640	GRIA1	P42261	GRIA1_HUMAN				Investigational	N-benzoylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Receptors, AMPA"	O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2											CX-516	CHEMBL136800	
DB06249	Arzoxifene	BE0000123	ESR1	P03372	ESR1_HUMAN				Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Sulfur Compounds	COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2											Arzoxifene	CHEMBL226267	
DB06249	Arzoxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN				Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Sulfur Compounds	COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2											Arzoxifene	CHEMBL226267	
DB06255	Incadronic acid	BE0001826	CASP7	P55210	CASP7_HUMAN	activator	23044853	"Miwa A, Takezako N, Hayakawa H, Hayakawa M, Tominaga S, Yanagisawa K: YM-175 induces apoptosis of human native monocyte-lineage cells via inhibition of prenylation. Am J Hematol. 2012 Dec;87(12):1084-8. doi: 10.1002/ajh.23328. Epub 2012 Oct 9."	Experimental	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Organophosphonates; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Antineoplastic Agents	OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O						175427066					Incadronic_acid	CHEMBL53950	
DB06262	Droxidopa	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	11482743; 17266602; 20412040; 9138687; 8825367	"Senard JM, Brefel-Courbon C, Rascol O, Montastruc JL: Orthostatic hypotension in patients with Parkinson's disease: pathophysiology and management. Drugs Aging. 2001;18(7):495-505.@@Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Lachnit WG, Tran AM, Clarke DE, Ford AP: Pharmacological characterization of an alpha 1A-adrenoceptor mediating contractile responses to noradrenaline in isolated caudal artery of rat. Br J Pharmacol. 1997 Mar;120(5):819-26.@@Burt RP, Chapple CR, Marshall I: The role of diacylglycerol and activation of protein kinase C in alpha 1A-adrenoceptor-mediated contraction to noradrenaline of rat isolated epididymal vas deferens. Br J Pharmacol. 1996 Jan;117(1):224-30."	Approved; Investigational	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Amino Acids, Peptides, and Proteins; Epinephrine and similars; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Amino Acids, Neutral; Increased Blood Pressure; Amino Acids; Adrenergic Agonists; Agents that produce hypertension; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Anti-Dyskinesia Agents"	N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O						99443239	D01277	PA164748386			Droxidopa	CHEMBL2103827	1489913
DB06262	Droxidopa	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	17266602; 20412040; 7773533; 8166240	"Bishop MJ: Recent advances in the discovery of alpha1-adrenoceptor agonists. Curr Top Med Chem. 2007;7(2):135-45.@@Du L, Li M: Modeling the interactions between alpha(1)-adrenergic receptors and their antagonists. Curr Comput Aided Drug Des. 2010 Sep;6(3):165-78.@@Testa R, Guarneri L, Poggesi E, Simonazzi I, Taddei C, Leonardi A: Mediation of noradrenaline-induced contractions of rat aorta by the alpha 1B-adrenoceptor subtype. Br J Pharmacol. 1995 Feb;114(4):745-50.@@Izzo NJ Jr, Colucci WS: Regulation of alpha 1B-adrenergic receptor half-life: protein synthesis dependence and effect of norepinephrine. Am J Physiol. 1994 Mar;266(3 Pt 1):C771-5."	Approved; Investigational	Tyrosine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Adrenergic beta-Agonists; Adrenergic and Dopaminergic Agents; Amines; Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Amino Acids, Peptides, and Proteins; Epinephrine and similars; Cardiac Stimulants Excl. Cardiac Glycosides; Phenols; Drugs that are Mainly Renally Excreted; Amino Acids, Neutral; Increased Blood Pressure; Amino Acids; Adrenergic Agonists; Agents that produce hypertension; Adrenergic alpha-1 Receptor Agonists; Central Nervous System Agents; Cardiac Therapy; Catechols; Adrenergic beta-3 Receptor Agonists; Adrenergic beta-2 Receptor Agonists; Adrenergic beta-1 Receptor Agonists; Anti-Dyskinesia Agents"	N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O						99443239	D01277	PA164748386			Droxidopa	CHEMBL2103827	1489913
DB06266	Lonidamine	BE0001195	CFTR	P13569	CFTR_HUMAN		17490919	"Sommer D, Bogdan R, Berger J, Peters DM, Morty RE, Clauss WG, Fronius M: CFTR-dependent Cl- secretion in Xenopus laevis lung epithelium. Respir Physiol Neurobiol. 2007 Aug 15;158(1):97-106. Epub 2007 Apr 5."	Investigational	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Reproductive Control Agents; Contraceptive Agents, Male; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrazoles; Antispermatogenic Agents; Trypanocidal Agents; Antiprotozoals; Hormonal Contraceptives for Systemic Use; Radiation-Sensitizing Agents; Toxic Actions; Noxae; Antiparasitic Agents; Antineoplastic Agents"	OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2							D07257				Lonidamine	CHEMBL1257030	
DB06266	Lonidamine	BE0001108	HK1	P19367	HXK1_HUMAN		16986057	Brawer MK: Lonidamine: basic science and rationale for treatment of prostatic proliferative disorders. Rev Urol. 2005;7 Suppl 7:S21-6.	Investigational	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles	"Reproductive Control Agents; Contraceptive Agents, Male; Anti-Infective Agents; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrazoles; Antispermatogenic Agents; Trypanocidal Agents; Antiprotozoals; Hormonal Contraceptives for Systemic Use; Radiation-Sensitizing Agents; Toxic Actions; Noxae; Antiparasitic Agents; Antineoplastic Agents"	OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2							D07257				Lonidamine	CHEMBL1257030	
DB06267	Udenafil	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	18491987; 11752352; 19465935; 21054754; 19860692	"Gur S, Sikka SC, Hellstrom WJ: Novel phosphodiesterase-5 (PDE5) inhibitors in the alleviation of erectile dysfunction due to diabetes and ageing-induced oxidative stress. Expert Opin Investig Drugs. 2008 Jun;17(6):855-64. doi: 10.1517/13543784.17.6.855 .@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Ahn GJ, Chung HK, Lee CH, Kang KK, Ahn BO: Increased expression of the nitric oxide synthase gene and protein in corpus cavernosum by repeated dosing of udenafil in a rat model of chemical diabetogenesis. Asian J Androl. 2009 Jul;11(4):435-42. doi: 10.1038/aja.2009.27. Epub 2009 May 25.@@Zhao C, Kim SH, Lee SW, Jeon JH, Kang KK, Choi SB, Park JK: Activity of phosphodiesterase type 5 inhibitors in patients with lower urinary tract symptoms due to benign prostatic hyperplasia. BJU Int. 2011 Jun;107(12):1943-7. doi: 10.1111/j.1464-410X.2010.09759.x. Epub 2010 Nov 5.@@Kouvelas D, Goulas A, Papazisis G, Sardeli C, Pourzitaki C: PDE5 inhibitors: in vitro and in vivo pharmacological profile. Curr Pharm Des. 2009;15(30):3464-75."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	Cytochrome P-450 CYP3A5 Substrates; Sulfones; Cytochrome P-450 Substrates; Enzyme Inhibitors; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Phosphodiesterase 5 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Amides; Genito Urinary System and Sex Hormones; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Sulfonamides; Drugs Used in Erectile Dysfunction; Phosphodiesterase Inhibitors	CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C						99443240	D10027	PA164776753		DAP000960	Udenafil	CHEMBL2103849	
DB06268	Sitaxentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN	antagonist	17472992; 11728166; 11752352; 11447307; 11704565; 10961375; 11849873	"Girgis RE, Frost AE, Hill NS, Horn EM, Langleben D, McLaughlin VV, Oudiz RJ, Robbins IM, Seibold JR, Shapiro S, Tapson VF, Barst RJ: Selective endothelin A receptor antagonism with sitaxsentan for pulmonary arterial hypertension associated with connective tissue disease. Ann Rheum Dis. 2007 Nov;66(11):1467-72. Epub 2007 May 1.@@Albertini M, Lafortuna CL, Ciminaghi B, Mazzola S, Clement MG: Endothelin involvement in respiratory centre activity. Prostaglandins Leukot Essent Fatty Acids. 2001 Sep;65(3):157-63.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Kiowski W, Sutsch G, Oechslin E, Bertel O: Hemodynamic effects of bosentan in patients with chronic heart failure. Heart Fail Rev. 2001 Dec;6(4):325-34.@@Kramp R, Fourmanoir P, Caron N: Endothelin resets renal blood flow autoregulatory efficiency during acute blockade of NO in the rat. Am J Physiol Renal Physiol. 2001 Dec;281(6):F1132-40.@@Martin C, Held HD, Uhlig S: Differential effects of the mixed ET(A)/ET(B)-receptor antagonist bosentan on endothelin-induced bronchoconstriction, vasoconstriction and prostacyclin release. Naunyn Schmiedebergs Arch Pharmacol. 2000 Aug;362(2):128-36.@@Sihvola RK, Pulkkinen VP, Koskinen PK, Lemstrom KB: Crosstalk of endothelin-1 and platelet-derived growth factor in cardiac allograft arteriosclerosis. J Am Coll Cardiol. 2002 Feb 20;39(4):710-7."	Approved; Investigational; Withdrawn	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antihypertensive Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Endothelin Receptor Antagonists; Sulfur Compounds; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors	CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl					20136	99443241	D07171	PA165958361			Sitaxentan	CHEMBL282724	
DB06268	Sitaxentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN	antagonist	17472992; 11752352; 7921608; 16335785; 9806221; 7858879; 15629255	"Girgis RE, Frost AE, Hill NS, Horn EM, Langleben D, McLaughlin VV, Oudiz RJ, Robbins IM, Seibold JR, Shapiro S, Tapson VF, Barst RJ: Selective endothelin A receptor antagonism with sitaxsentan for pulmonary arterial hypertension associated with connective tissue disease. Ann Rheum Dis. 2007 Nov;66(11):1467-72. Epub 2007 May 1.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Gardiner SM, Kemp PA, March JE, Bennett T: Effects of bosentan (Ro 47-0203), an ETA-, ETB-receptor antagonist, on regional haemodynamic responses to endothelins in conscious rats. Br J Pharmacol. 1994 Jul;112(3):823-30.@@Gupta SK, Saxena A, Singh U, Arya DS: Bosentan, the mixed ETA-ETB endothelin receptor antagonist, attenuated oxidative stress after experimental myocardial ischemia and reperfusion. Mol Cell Biochem. 2005 Jul;275(1-2):67-74.@@Marano G, Palazzesi S, Bernucci P, Grigioni M, Formigari R, Ballerini L: ET(A)/ET(B) receptor antagonist bosentan inhibits neointimal development in collared carotid arteries of rabbits. Life Sci. 1998;63(18):PL259-66.@@Richard V, Kaeffer N, Hogie M, Tron C, Blanc T, Thuillez C: Role of endogenous endothelin in myocardial and coronary endothelial injury after ischaemia and reperfusion in rats: studies with bosentan, a mixed ETA-ETB antagonist. Br J Pharmacol. 1994 Nov;113(3):869-76.@@Said SA, Ammar el SM, Suddek GM: Effect of bosentan (ETA/ETB receptor antagonist) on metabolic changes during stress and diabetes. Pharmacol Res. 2005 Feb;51(2):107-15."	Approved; Investigational; Withdrawn	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antihypertensive Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Endothelin Receptor Antagonists; Sulfur Compounds; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors	CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl					20136	99443241	D07171	PA165958361			Sitaxentan	CHEMBL282724	
DB06273	Tocilizumab	BE0002859	IL6R	P08887	IL6RA_HUMAN	inhibitor	16899109; 21940820	"Smolen JS, Maini RN: Interleukin-6: a new therapeutic target. Arthritis Res Ther. 2006;8 Suppl 2:S5. Epub 2006 Jul 28.@@Betts BC, St Angelo ET, Kennedy M, Young JW: Anti-IL6-receptor-alpha (tocilizumab) does not inhibit human monocyte-derived dendritic cell maturation or alloreactive T-cell responses. Blood. 2011 Nov 10;118(19):5340-3. doi: 10.1182/blood-2011-06-363390. Epub 2011 Sep 22."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors; Antibodies; Cytochrome P-450 Enzyme Inducers; Biologics for Rheumatoid Arthritis Treatment; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Proteins; Cytochrome P-450 CYP3A4 Inducers; Disease-modifying Antirheumatic Agents; Immunoglobulins; Agents reducing cytokine levels; Cytochrome P-450 CYP3A4 Inducers (weak); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Blood Proteins"						20590	347910344	D02596	PA165292659			Tocilizumab	CHEMBL1237022	612865
DB06274	Alvimopan	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	17340127; 15882122	"Beattie DT, Cheruvu M, Mai N, O'Keefe M, Johnson-Rabidoux S, Peterson C, Kaufman E, Vickery R: The in vitro pharmacology of the peripherally restricted opioid receptor antagonists, alvimopan, ADL 08-0011 and methylnaltrexone. Naunyn Schmiedebergs Arch Pharmacol. 2007 May;375(3):205-20. Epub 2007 Mar 6.@@Neary P, Delaney CP: Alvimopan. Expert Opin Investig Drugs. 2005 Apr;14(4):479-88."	Approved; Investigational	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Receptors, Opioid, mu, antagonists & inhibitors; Opioid Antagonists; Peripheral Opioid Receptor Antagonists; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation"	C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1		Alvimopan Action Pathway	drug_action			99443242	D02878	PA164754864		DAP001140	Alvimopan	CHEMBL270190	480639
DB06282	Levocetirizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	21639816; 18336052	"Ferrer M: Pharmacokinetic evaluation of levocetirizine. Expert Opin Drug Metab Toxicol. 2011 Aug;7(8):1035-47. doi: 10.1517/17425255.2011.590131. Epub 2011 Jun 4.@@Devillier P, Roche N, Faisy C: Clinical pharmacokinetics and pharmacodynamics of desloratadine, fexofenadine and levocetirizine : a comparative review. Clin Pharmacokinet. 2008;47(4):217-30."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Potential QTc-Prolonging Agents; Piperazine Derivatives; Piperazines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; QTc Prolonging Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Antihistamines for Systemic Use; Histamine Agents; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates"	OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1		Levocetirizine H1-Antihistamine Action	drug_action			310264866	D07402				Levocetirizine	CHEMBL1201191	356887
DB06283	Ziconotide	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	inhibitor	2441741; 8102803; 27756538; 21150297; 28320042; 26344359; 24382884	"Olivera BM, Cruz LJ, de Santos V, LeCheminant GW, Griffin D, Zeikus R, McIntosh JM, Galyean R, Varga J, Gray WR, et al.: Neuronal calcium channel antagonists. Discrimination between calcium channel subtypes using omega-conotoxin from Conus magus venom. Biochemistry. 1987 Apr 21;26(8):2086-90. doi: 10.1021/bi00382a004.@@Valentino K, Newcomb R, Gadbois T, Singh T, Bowersox S, Bitner S, Justice A, Yamashiro D, Hoffman BB, Ciaranello R, et al.: A selective N-type calcium channel antagonist protects against neuronal loss after global cerebral ischemia. Proc Natl Acad Sci U S A. 1993 Aug 15;90(16):7894-7. doi: 10.1073/pnas.90.16.7894.@@Bourinet E, Zamponi GW: Block of voltage-gated calcium channels by peptide toxins. Neuropharmacology. 2017 Dec;127:109-115. doi: 10.1016/j.neuropharm.2016.10.016. Epub 2016 Oct 15.@@Park J, Luo ZD: Calcium channel functions in pain processing. Channels (Austin). 2010 Nov-Dec;4(6):510-7. doi: 10.4161/chan.4.6.12869. Epub 2010 Nov 1.@@Patel R, Montagut-Bordas C, Dickenson AH: Calcium channel modulation as a target in chronic pain control. Br J Pharmacol. 2018 Jun;175(12):2173-2184. doi: 10.1111/bph.13789. Epub 2017 Apr 26.@@Wang F, Yan Z, Liu Z, Wang S, Wu Q, Yu S, Ding J, Dai Q: Molecular basis of toxicity of N-type calcium channel inhibitor MVIIA. Neuropharmacology. 2016 Feb;101:137-45. doi: 10.1016/j.neuropharm.2015.08.047. Epub 2015 Sep 4.@@Bourinet E, Altier C, Hildebrand ME, Trang T, Salter MW, Zamponi GW: Calcium-permeable ion channels in pain signaling. Physiol Rev. 2014 Jan;94(1):81-140. doi: 10.1152/physrev.00023.2013."	Approved			"Sensory System Agents; Protective Agents; N-Calcium Channel Receptor Antagonists; Marine Toxins; Central Nervous System Depressants; Fluids and Secretions; Calcium Channel Blockers; Toxins, Biological; Membrane Transport Modulators; Complex Mixtures; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Analgesics, Non-Narcotic; Mollusk Venoms; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; Nervous System; Venoms; Narrow Therapeutic Index Drugs; Conotoxins; Neuroprotective Agents; Calcium Channels, N-Type"	[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2						347910345	D06363				Ziconotide	CHEMBL4594214	68503
DB06283	Ziconotide	BE0000356	CACNA1A	O00555	CAC1A_HUMAN	inhibitor	26344359	"Wang F, Yan Z, Liu Z, Wang S, Wu Q, Yu S, Ding J, Dai Q: Molecular basis of toxicity of N-type calcium channel inhibitor MVIIA. Neuropharmacology. 2016 Feb;101:137-45. doi: 10.1016/j.neuropharm.2015.08.047. Epub 2015 Sep 4."	Approved			"Sensory System Agents; Protective Agents; N-Calcium Channel Receptor Antagonists; Marine Toxins; Central Nervous System Depressants; Fluids and Secretions; Calcium Channel Blockers; Toxins, Biological; Membrane Transport Modulators; Complex Mixtures; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Analgesics, Non-Narcotic; Mollusk Venoms; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Central Nervous System Agents; Nervous System; Venoms; Narrow Therapeutic Index Drugs; Conotoxins; Neuroprotective Agents; Calcium Channels, N-Type"	[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2						347910345	D06363				Ziconotide	CHEMBL4594214	68503
DB06287	Temsirolimus	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	18265991; 17935273; 11752352	"Patard JJ, Pouessel D, Bensalah K, Culine S: Targeted therapy in renal cell carcinoma. World J Urol. 2008 Apr;26(2):135-40. doi: 10.1007/s00345-008-0237-4. Epub 2008 Feb 12.@@Radulovic S, Bjelogrlic SK: Sunitinib, sorafenib and mTOR inhibitors in renal cancer. J BUON. 2007 Sep;12 Suppl 1:S151-62.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Macrolide lactams	Organic compounds; Phenylpropanoids and polyketides; Macrolide lactams	Cytochrome P-450 CYP2D6 Inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Agents causing angioedema; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A5 Inhibitors; Mammalian target of rapamycin (mTOR) kinase inhibitors; Protein Kinase Inhibitors; Sirolimus and Prodrugs; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Macrolides; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Lactones; Polyketides; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; mTOR Inhibitors; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates	OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC					20180	99443243	D06068	PA164746890		DAP001222	Temsirolimus	CHEMBL1201182	657797
DB06288	Amisulpride	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	19337725	"Abbas AI, Hedlund PB, Huang XP, Tran TB, Meltzer HY, Roth BL: Amisulpride is a potent 5-HT7 antagonist: relevance for antidepressant actions in vivo. Psychopharmacology (Berl). 2009 Jul;205(1):119-28. doi: 10.1007/s00213-009-1521-8. Epub 2009 Apr 1."	Approved; Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC						99443244	D07310	PA162565877		DAP000848	Amisulpride	CHEMBL243712	46303
DB06288	Amisulpride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	12404702; 16696579; 11873706; 11270918	"Rosenzweig P, Canal M, Patat A, Bergougnan L, Zieleniuk I, Bianchetti G: A review of the pharmacokinetics, tolerability and pharmacodynamics of amisulpride in healthy volunteers. Hum Psychopharmacol. 2002 Jan;17(1):1-13.@@Horacek J, Bubenikova-Valesova V, Kopecek M, Palenicek T, Dockery C, Mohr P, Hoschl C: Mechanism of action of atypical antipsychotic drugs and the neurobiology of schizophrenia. CNS Drugs. 2006;20(5):389-409.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Xiberas X, Martinot JL, Mallet L, Artiges E, Canal M, Loc'h C, Maziere B, Paillere-Martinot ML: In vivo extrastriatal and striatal D2 dopamine receptor blockade by amisulpride in schizophrenia. J Clin Psychopharmacol. 2001 Apr;21(2):207-14. doi: 10.1097/00004714-200104000-00013."	Approved; Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC						99443244	D07310	PA162565877		DAP000848	Amisulpride	CHEMBL243712	46303
DB06288	Amisulpride	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	12404702; 16696579; 11873706; 11270918	"Rosenzweig P, Canal M, Patat A, Bergougnan L, Zieleniuk I, Bianchetti G: A review of the pharmacokinetics, tolerability and pharmacodynamics of amisulpride in healthy volunteers. Hum Psychopharmacol. 2002 Jan;17(1):1-13.@@Horacek J, Bubenikova-Valesova V, Kopecek M, Palenicek T, Dockery C, Mohr P, Hoschl C: Mechanism of action of atypical antipsychotic drugs and the neurobiology of schizophrenia. CNS Drugs. 2006;20(5):389-409.@@Seeman P: Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38.@@Xiberas X, Martinot JL, Mallet L, Artiges E, Canal M, Loc'h C, Maziere B, Paillere-Martinot ML: In vivo extrastriatal and striatal D2 dopamine receptor blockade by amisulpride in schizophrenia. J Clin Psychopharmacol. 2001 Apr;21(2):207-14. doi: 10.1097/00004714-200104000-00013."	Approved; Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC						99443244	D07310	PA162565877		DAP000848	Amisulpride	CHEMBL243712	46303
DB06288	Amisulpride	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	14575800; 21176108	"Weizman T, Pick CG, Backer MM, Rigai T, Bloch M, Schreiber S: The antinociceptive effect of amisulpride in mice is mediated through opioid mechanisms. Eur J Pharmacol. 2003 Oct 8;478(2-3):155-9.@@Rehni AK, Singh TG, Chand P: Amisulpride-induced seizurogenic effect: a potential role of opioid receptor-linked transduction systems. Basic Clin Pharmacol Toxicol. 2011 May;108(5):310-7. doi: 10.1111/j.1742-7843.2010.00655.x. Epub 2010 Dec 22."	Approved; Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"MATE 1 Substrates; MATE 2 Substrates; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Benzene Derivatives; MATE 1 Inhibitors; Antidepressive Agents; OCT1 substrates; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Dopamine Antagonists; P-glycoprotein substrates; Psycholeptics; Dopamine D2 Receptor Antagonists; BCRP/ABCG2 Substrates; Potential QTc-Prolonging Agents; Antipsychotic Agents (Second Generation [Atypical]); Acids, Carbocyclic; MATE inhibitors; Opioid Agonist; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; MATE 2 Inhibitors; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Antiemetics; Nervous System; MATE substrates; Antidepressive Agents, Second-Generation; Dopamine Agents"	CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC						99443244	D07310	PA162565877		DAP000848	Amisulpride	CHEMBL243712	46303
DB06307	Apoptone	BE0000246	BCL2	P10415	BCL2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	Fused-Ring Compounds; Androstanes; Steroids	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C											Ethynylandrostanediol		
DB06311	Darapladib	BE0000657	PLA2G4A	P47712	PA24A_HUMAN		19790016	"Riley RF, Corson MA: Darapladib, a reversible lipoprotein-associated phospholipase A2 inhibitor, for the oral treatment of atherosclerosis and coronary artery disease. IDrugs. 2009 Oct;12(10):648-55."	Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	Anions; Hydrogen Sulfide; Ions; Amines; Enzyme Inhibitors; Phospholipase A2 Inhibitors; Pyrimidines; Hydroxylamines; Sulfur Compounds; Ethylamines; Benzene Derivatives; Electrolytes	CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C2=C(CCC2)C(=O)N=C1SCC1=CC=C(F)C=C1								PA165884699			Darapladib	CHEMBL204021	
DB06314	SGX-523	BE0000915	MET	P08581	MET_HUMAN				Investigational	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1												CHEMBL1236107	
DB06318	AVE9633	BE0000674	CD33	P20138	CD33_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Immunoproteins; Cytochrome P-450 CYP3A Inhibitors; Anti-Bacterial Agents; Lactams, Macrocyclic; Lactones; Macrolides; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP3A4 Inhibitors"														
DB06321	R-348	BE0003493	JAK3	P52333	JAK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational				CCC(=O)NS(=O)(=O)C1=CC(NC2=NC=C(F)C(NC3=CC=C(OCC#C)C=C3)=N2)=CC=C1C													
DB06324	XmAb 2513	BE0003479	TNFRSF8	P28908	TNR8_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"														
DB06329	RG-7795	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN				Investigational				CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1N1C(=O)SC2=CN=C(N)N=C12											ANA773		
DB06333	Trodusquemine	BE0000623	PTPN1	P18031	PTN1_HUMAN				Investigational			Fused-Ring Compounds; Amines; Biogenic Amines; Polyamines; Steroids; Biogenic Polyamines	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C											Trodusquemine	CHEMBL508583	
DB06333	Trodusquemine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN				Investigational			Fused-Ring Compounds; Amines; Biogenic Amines; Polyamines; Steroids; Biogenic Polyamines	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C											Trodusquemine	CHEMBL508583	
DB06333	Trodusquemine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational			Fused-Ring Compounds; Amines; Biogenic Amines; Polyamines; Steroids; Biogenic Polyamines	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C											Trodusquemine	CHEMBL508583	
DB06343	Teprotumumab	BE0000858	IGF1R	P08069	IGF1R_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunosuppressive Agents; Ototoxic agents; Antineoplastic and Immunomodulating Agents; Insulin-like Growth Factor-1 Receptor Inhibitors; Immunoproteins; Selective Immunosuppressants; Hyperglycemia-Associated Agents; Insulin-like Growth Factor-1 Receptor Inhibitor; Proteins; Globulins; Amino Acids, Peptides, and Proteins"												Teprotumumab		2274803
DB06345	AR-9281	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	N-acylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Cardiovascular Agents; Cycloparaffins; Enzyme Inhibitors; Antihypertensive Agents; Bridged-Ring Compounds; Amides; Epoxide Hydrolases, antagonists & inhibitors"	CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2												CHEMBL436774	
DB06346	Fiboflapon	BE0002382	ALOX5AP	P20292	AL5AP_HUMAN				Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	"Fatty Acids, Volatile; Asthma, drug therapy; Valerates; Heterocyclic Compounds, Fused-Ring; Lipids; Acids, Acyclic; Fatty Acids"	CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1												CHEMBL1922660	
DB06350	Elinogrel	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides; Quinazolines"	CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1											Elinogrel	CHEMBL2103828	
DB06354	Tezampanel	BE0000346	GRIK1	P39086	GRIK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational			"Receptors, AMPA, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	[H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O											Tezampanel	CHEMBL14935	
DB06354	Tezampanel	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational			"Receptors, AMPA, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	[H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O											Tezampanel	CHEMBL14935	
DB06356	TRC093	BE0003498	COL4A4	P53420	CO4A4_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB06358	Iclaprim	BE0000330	DHFR	P00374	DYR_HUMAN				Investigational			Enzyme Inhibitors; Antibacterials for Systemic Use; Folic Acid Antagonists; Antiinfectives for Systemic Use; Trimethoprim and Derivatives; Sulfonamides and trimethoprim	COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1											Iclaprim	CHEMBL134561	
DB06359	G4460	BE0003499	MYB	P10242	MYB_HUMAN				Investigational			"Polynucleotides; Oligonucleotides; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"														
DB06362	Becatecarin	BE0002425	TOP2B	Q02880	TOP2B_HUMAN				Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Heterocyclic Compounds, Fused-Ring; Glycosides; Carbohydrates; Indoles"	CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2												CHEMBL2107313	
DB06366	Pertuzumab	BE0000511	ERBB2	P04626	ERBB2_HUMAN	binder	15093539	"Franklin MC, Carey KD, Vajdos FF, Leahy DJ, de Vos AM, Sliwkowski MX: Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex. Cancer Cell. 2004 Apr;5(4):317-28."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"HER2/Neu/cerbB2 Antagonists; Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Breast Neoplasms; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cardiotoxic antineoplastic agents; Proteins; Antineoplastic Agents; HER2 Receptor Antagonists; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Blood Proteins"						22051	347910348	D05446				Pertuzumab	CHEMBL2007641	1298944
DB06372	Rilonacept	BE0004735	IL1RN	P18510	IL1RA_HUMAN	binder	12815153; 23319019	"Hawkins PN, Lachmann HJ, McDermott MF: Interleukin-1-receptor antagonist in the Muckle-Wells syndrome. N Engl J Med. 2003 Jun 19;348(25):2583-4.@@Cronstein BN, Sunkureddi P: Mechanistic aspects of inflammation and clinical management of inflammation in acute gouty arthritis. J Clin Rheumatol. 2013 Jan;19(1):19-29. doi: 10.1097/RHU.0b013e31827d8790."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunotherapy; Interleukin-1 Receptor Accessory Protein; Interleukin-1 Blockers; Anti-Inflammatory Agents; Receptors, Interleukin-1 Type I; Proteins; Agents reducing cytokine levels; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"							347910349	D06635				Rilonacept	CHEMBL1201830	763450
DB06374	Elacestrant	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	26164151; 31602686	"Garner F, Shomali M, Paquin D, Lyttle CR, Hattersley G: RAD1901: a novel, orally bioavailable selective estrogen receptor degrader that demonstrates antitumor activity in breast cancer xenograft models. Anticancer Drugs. 2015 Oct;26(9):948-56. doi: 10.1097/CAD.0000000000000271.@@Chinnasamy K, Saravanan M, Poomani K: Investigation of binding mechanism and downregulation of elacestrant for wild and L536S mutant estrogen receptor-alpha through molecular dynamics simulation and binding free energy analysis. J Comput Chem. 2020 Jan 15;41(2):97-109. doi: 10.1002/jcc.26076. Epub 2019 Oct 10."	Approved; Investigational			"P-glycoprotein inhibitors; Selective Estrogen Receptor Degraders; Antineoplastic and Immunomodulating Agents; BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Endocrine Therapy; Naphthalenes; Cytochrome P-450 CYP3A Substrates; OATP2B1/SLCO2B1 substrates; Estrogens, Non-Steroidal; Cytochrome P-450 CYP3A4 Substrates; Estrogen Receptor Antagonists; Antineoplastic Agents"	CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1											Elacestrant	CHEMBL4297509	2628469
DB06376	CHGN111	BE0001824	CLK1	P49759	CLK1_HUMAN				Investigational																	
DB06401	Bazedoxifene	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	15535430	"Gruber C, Gruber D: Bazedoxifene (Wyeth). Curr Opin Investig Drugs. 2004 Oct;5(10):1086-93."	Approved; Investigational	2-phenylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Selective Estrogen Receptor Modulators; Heterocyclic Compounds, Fused-Ring; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Estrogen Agonist/Antagonist; Estrogen Receptor Modulators"	CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1					22524	310264867	D03062				Bazedoxifene	CHEMBL46740	1441386
DB06401	Bazedoxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN		15961563	"Komm BS, Kharode YP, Bodine PV, Harris HA, Miller CP, Lyttle CR: Bazedoxifene acetate: a selective estrogen receptor modulator with improved selectivity. Endocrinology. 2005 Sep;146(9):3999-4008. Epub 2005 Jun 16."	Approved; Investigational	2-phenylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Selective Estrogen Receptor Modulators; Heterocyclic Compounds, Fused-Ring; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Estrogen Agonist/Antagonist; Estrogen Receptor Modulators"	CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1					22524	310264867	D03062				Bazedoxifene	CHEMBL46740	1441386
DB06403	Ambrisentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN	antagonist	20811346; 19389876; 19601701; 19920913	"Spence R, Mandagere A, Richards DB, Magee MH, Dufton C, Boinpally R: Potential for pharmacokinetic interactions between ambrisentan and cyclosporine. Clin Pharmacol Ther. 2010 Oct;88(4):513-20. doi: 10.1038/clpt.2010.120. Epub 2010 Sep 1.@@Richards DB, Walker GA, Mandagere A, Magee MH, Henderson LS: Effect of ketoconazole on the pharmacokinetic profile of ambrisentan. J Clin Pharmacol. 2009 Jun;49(6):719-24. doi: 10.1177/0091270009335870. Epub 2009 Apr 23.@@Kingman M, Ruggiero R, Torres F: Ambrisentan, an endothelin receptor type A-selective endothelin receptor antagonist, for the treatment of pulmonary arterial hypertension. Expert Opin Pharmacother. 2009 Aug;10(11):1847-58. doi: 10.1517/14656560903061275.@@Casserly B, Klinger JR: Ambrisentan for the treatment of pulmonary arterial hypertension. Drug Des Devel Ther. 2009 Feb 6;2:265-80."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Antihypertensives for Pulmonary Arterial Hypertension; UGT2B7 substrates; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Acids, Carbocyclic; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Hypertension, Pulmonary; UGT1A9 Substrates; OATP1B3 substrates; Endothelin Receptor Antagonists"	COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1					13310	310264868		PA165860521			Ambrisentan	CHEMBL1111	358274
DB06403	Ambrisentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN	antagonist	19920913; 19601701	"Casserly B, Klinger JR: Ambrisentan for the treatment of pulmonary arterial hypertension. Drug Des Devel Ther. 2009 Feb 6;2:265-80.@@Kingman M, Ruggiero R, Torres F: Ambrisentan, an endothelin receptor type A-selective endothelin receptor antagonist, for the treatment of pulmonary arterial hypertension. Expert Opin Pharmacother. 2009 Aug;10(11):1847-58. doi: 10.1517/14656560903061275."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Antihypertensives for Pulmonary Arterial Hypertension; UGT2B7 substrates; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Acids, Carbocyclic; Vasodilating Agents; Cytochrome P-450 CYP3A4 Substrates; Hypertension, Pulmonary; UGT1A9 Substrates; OATP1B3 substrates; Endothelin Receptor Antagonists"	COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1					13310	310264868		PA165860521			Ambrisentan	CHEMBL1111	358274
DB06404	Human C1-esterase inhibitor	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	6184384	"van der Graaf F, Koedam JA, Bouma BN: Inactivation of kallikrein in human plasma. J Clin Invest. 1983 Jan;71(1):149-58."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Protease Inhibitors; Kallikrein Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Immunologic Factors; Complement Inactivating Agents; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins; Decreased Vascular Permeability"						20597	347910350			P05155		C1-inhibitor		809864
DB06408	Taribavirin	BE0000457	ENPP1	P22413	ENPP1_HUMAN				Investigational	Triazole ribonucleosides and ribonucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Triazole ribonucleosides and ribonucleotides"	"Anti-Infective Agents; Antiviral Agents; Ribonucleosides; Nucleosides; Purine-Nucleoside Phosphorylase, antagonists & inhibitors; Nucleic Acids, Nucleotides, and Nucleosides"	NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O											Taribavirin	CHEMBL2111108	
DB06408	Taribavirin	BE0000261	NT5C2	P49902	5NTC_HUMAN				Investigational	Triazole ribonucleosides and ribonucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; Triazole ribonucleosides and ribonucleotides"	"Anti-Infective Agents; Antiviral Agents; Ribonucleosides; Nucleosides; Purine-Nucleoside Phosphorylase, antagonists & inhibitors; Nucleic Acids, Nucleotides, and Nucleosides"	NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O											Taribavirin	CHEMBL2111108	
DB06409	Morphine glucuronide	BE0000632	OPRK1	P41145	OPRK_HUMAN				Investigational			"Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; Alkaloids; Opiate Alkaloids"	[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O											Morphine-6-glucuronide	CHEMBL1330	
DB06410	Doxercalciferol	BE0000779	VDR	P11473	VDR_HUMAN	suppressor	21169421	"Ritter CS, Brown AJ: Direct suppression of Pth gene expression by the vitamin D prohormones doxercalciferol and calcidiol requires the vitamin D receptor. J Mol Endocrinol. 2011 Feb 15;46(2):63-6. doi: 10.1677/JME-10-0128. Print 2011 Apr."	Approved	Vitamin D and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives	"Vitamins; Cholestenes; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Vitamins (Fat Soluble); Steroids; Fused-Ring Compounds; Anti-Parathyroid Agents; Diet, Food, and Nutrition; Vitamin D and Analogues; Lipids; Food; Calcium Homeostasis; Secosteroids; Micronutrients; Cholestanes; Sterols; Physiological Phenomena; Bone Density Conservation Agents; Membrane Lipids"	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C					12146	347827769	D01009				Doxercalciferol	CHEMBL1200810	11516
DB06413	Armodafinil	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	antagonist	22537794	"Loland CJ, Mereu M, Okunola OM, Cao J, Prisinzano TE, Mazier S, Kopajtic T, Shi L, Katz JL, Tanda G, Newman AH: R-modafinil (armodafinil): a unique dopamine uptake inhibitor and potential medication for psychostimulant abuse. Biol Psychiatry. 2012 Sep 1;72(5):405-13. doi: 10.1016/j.biopsych.2012.03.022. Epub 2012 Apr 25."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Cytochrome P-450 CYP1A2 Inducers; Benzene Derivatives; Central Nervous System Stimulants; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Wakefulness-Promoting Agents; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Psychostimulants, Agents Used for ADHD and Nootropics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (weak); Centrally Acting Sympathomimetics; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A Inducers; Nervous System; Benzhydryl Compounds; Cytochrome P-450 CYP3A5 Inducers (strength unknown)"	NC(=O)C[S@@](=O)C(C1=CC=CC=C1)C1=CC=CC=C1						310264870	D03215				Armodafinil	CHEMBL1201192	641465
DB06421	Declopramide	BE0002425	TOP2B	Q02880	TOP2B_HUMAN				Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Benzoates; Acids, Carbocyclic; Benzamides and benzamide derivatives; Amides; Benzene Derivatives; para-Aminobenzoates; Aminobenzoates"	CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1												CHEMBL1618378	
DB06422	Ticalopride	BE0000084	HTR4	Q13639	5HT4R_HUMAN				Investigational	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Chlorobenzoates; Piperidines; Benzoates; Acids, Carbocyclic; Benzamides and benzamide derivatives; Amides; Benzene Derivatives; para-Aminobenzoates; Aminobenzoates"	CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC												CHEMBL2107465	
DB06423	Endostatin	BE0000642	MMP2	P08253	MMP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins"												Endostatin		
DB06423	Endostatin	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins"												Endostatin		
DB06423	Endostatin	BE0003090	PTK2	Q05397	FAK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins"												Endostatin		
DB06423	Endostatin	BE0001074	SELE	P16581	LYAM2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Intercellular Signaling Peptides and Proteins; Growth Substances; Angiogenesis Inhibitors; Amino Acids, Peptides, and Proteins; Angiogenesis Modulating Agents; Scleroproteins; Proteins; Non-Fibrillar Collagens; Antineoplastic Agents; Collagen; Growth Inhibitors; Biological Factors; Peptides; Compounds used in a research, industrial, or household setting; Collagen Type XVIII; Extracellular Matrix Proteins; Angiostatic Proteins; Angiogenic Proteins"												Endostatin		
DB06429	Talnetant	BE0002371	TACR3	P29371	NK3R_HUMAN	antagonist	17172464; 17728699; 9190866	"Tian G, Wilkins D, Scott CW: Neurokinin-3 receptor-specific antagonists talnetant and osanetant show distinct mode of action in cellular Ca2+ mobilization but display similar binding kinetics and identical mechanism of binding in ligand cross-competition. Mol Pharmacol. 2007 Mar;71(3):902-11. Epub 2006 Dec 15.@@Dawson LA, Cato KJ, Scott C, Watson JM, Wood MD, Foxton R, de la Flor R, Jones GA, Kew JN, Cluderay JE, Southam E, Murkitt GS, Gartlon J, Pemberton DJ, Jones DN, Davies CH, Hagan J: In vitro and in vivo characterization of the non-peptide NK3 receptor antagonist SB-223412 (talnetant): potential therapeutic utility in the treatment of schizophrenia. Neuropsychopharmacology. 2008 Jun;33(7):1642-52. Epub 2007 Aug 29.@@Sarau HM, Griswold DE, Potts W, Foley JJ, Schmidt DB, Webb EF, Martin LD, Brawner ME, Elshourbagy NA, Medhurst AD, Giardina GA, Hay DW: Nonpeptide tachykinin receptor antagonists: I. Pharmacological and pharmacokinetic characterization of SB 223412, a novel, potent and selective neurokinin-3 receptor antagonist. J Pharmacol Exp Ther. 1997 Jun;281(3):1303-11."	Investigational	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines	"Receptors, Neurokinin-3, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	CCC(NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1											Talnetant	CHEMBL275544	
DB06436	Semaxanib	BE0000369	KDR	P35968	VGFR2_HUMAN		16983506; 16736151; 16449240	"Fury MG, Zahalsky A, Wong R, Venkatraman E, Lis E, Hann L, Aliff T, Gerald W, Fleisher M, Pfister DG: A Phase II study of SU5416 in patients with advanced or recurrent head and neck cancers. Invest New Drugs. 2007 Apr;25(2):165-72. Epub 2006 Sep 16.@@Mita MM, Rowinsky EK, Forero L, Eckhart SG, Izbicka E, Weiss GR, Beeram M, Mita AC, de Bono JS, Tolcher AW, Hammond LA, Simmons P, Berg K, Takimoto C, Patnaik A: A phase II, pharmacokinetic, and biologic study of semaxanib and thalidomide in patients with metastatic melanoma. Cancer Chemother Pharmacol. 2007 Feb;59(2):165-74. Epub 2006 May 31.@@Hoff PM, Wolff RA, Bogaard K, Waldrum S, Abbruzzese JL: A Phase I study of escalating doses of the tyrosine kinase inhibitor semaxanib (SU5416) in combination with irinotecan in patients with advanced colorectal carcinoma. Jpn J Clin Oncol. 2006 Feb;36(2):100-3. Epub 2006 Jan 31."	Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Angiogenesis Modulating Agents; Growth Substances; Angiogenesis Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CC1=CC(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12						347827770					Semaxanib	CHEMBL276711	
DB06439	Tyloxapol	BE0000239	LPL	P06858	LIPL_HUMAN	inhibitor	16839786; 1493594; 9406449	"Levine S, Saltzman A: A procedure for inducing sustained hyperlipemia in rats by administration of a surfactant. J Pharmacol Toxicol Methods. 2007 Mar-Apr;55(2):224-6. Epub 2006 Jun 3.@@Rodrigues B, Braun JE, Spooner M, Severson DL: Regulation of lipoprotein lipase activity in cardiac myocytes from control and diabetic rat hearts by plasma lipids. Can J Physiol Pharmacol. 1992 Sep;70(9):1271-9.@@Sato K, Akiba Y, Horiguchi M: Species differences between chickens and rats in chemical properties of adipose tissue lipoprotein lipase. Comp Biochem Physiol A Physiol. 1997 Nov;118(3):855-8."	Approved; Investigational			"Detergents; Glycols; Polymers; Alcohols; Surface-Active Agents; Cough and Cold Preparations; Macromolecular Substances; Ethylene Glycols; Expectorants; Household Products; Compounds used in a research, industrial, or household setting"							175427071	D03261	PA164743726		DCL000254	Tyloxapol	CHEMBL1201548	38998
DB06441	Cangrelor	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	inhibitor	26402735	"Gan XD, Wei BZ, Fang D, Fang Q, Li KY, Ding SL, Peng S, Wan J: Efficacy and safety analysis of new P2Y12 inhibitors versus clopidogrel in patients with percutaneous coronary intervention: a meta-analysis. Curr Med Res Opin. 2015 Dec;31(12):2313-23. doi: 10.1185/03007995.2015.1098600. Epub 2015 Nov 4."	Approved	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"	"Purinergic P2Y Receptor Antagonists; Purines; Anticoagulants; Adenine Nucleotides; Ribonucleotides; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic Agents; Nucleotides; P2Y12 Platelet Inhibitor; Antiplatelet agents; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Nucleic Acids, Nucleotides, and Nucleosides; Purinergic P2 Receptor Antagonists; Decreased Platelet Aggregation; Purine Nucleotides; Neurotransmitter Agents; Hematologic Agents; Purinergic Antagonists"	CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1					23813	310264872	D03359	PA165945763			Cangrelor	CHEMBL334966	1656052
DB06446	Dotarizine	BE0000356	CACNA1A	O00555	CAC1A_HUMAN		14637173	"Ruiz-Nuno A, Mayorgas I, Hernandez-Guijo JM, Olivares R, Garcia AG, Gandia L: Antimigraine dotarizine blocks P/Q Ca2+ channels and exocytosis in a voltage-dependent manner in chromaffin cells. Eur J Pharmacol. 2003 Nov 14;481(1):41-50."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Antiarrhythmic agents; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antidepressive Agents	C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1											Dotarizine	CHEMBL2106316	
DB06446	Dotarizine	BE0000533	HTR2C	P28335	5HT2C_HUMAN		9379783	"Farre M, Roset PN, Llorente M, Marquez M, Albet C, Perez JA, Herrero E, Ortiz JA: Clinical pharmacokinetics and tolerability of dotarizine in healthy subjects after single and multiple oral administration. Methods Find Exp Clin Pharmacol. 1997 Jun;19(5):343-50."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Antiarrhythmic agents; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antidepressive Agents	C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1											Dotarizine	CHEMBL2106316	
DB06448	Lonafarnib	BE0002373	FNTA	P49354	FNTA_HUMAN	inhibitor	15494604; 17268526	"Lee HY, Moon H, Chun KH, Chang YS, Hassan K, Ji L, Lotan R, Khuri FR, Hong WK: Effects of insulin-like growth factor binding protein-3 and farnesyltransferase inhibitor SCH66336 on Akt expression and apoptosis in non-small-cell lung cancer cells. J Natl Cancer Inst. 2004 Oct 20;96(20):1536-48.@@Medeiros BC, Landau HJ, Morrow M, Lockerbie RO, Pitts T, Eckhardt SG: The farnesyl transferase inhibitor, tipifarnib, is a potent inhibitor of the MDR1 gene product, P-glycoprotein, and demonstrates significant cytotoxic synergism against human leukemia cell lines. Leukemia. 2007 Apr;21(4):739-46. Epub 2007 Feb 1."	Approved; Investigational	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Farnesyltransferase Inhibitors; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Farnesyltransferase Inhibitor; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2A6 Substrates; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP1A2 Substrates	NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1								PA166129466			Lonafarnib	CHEMBL298734	2467553
DB06448	Lonafarnib	BE0002372	FNTB	P49356	FNTB_HUMAN	inhibitor			Approved; Investigational	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Farnesyltransferase Inhibitors; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Benzocycloheptenes; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP2C19 Substrates; Farnesyltransferase Inhibitor; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2A6 Substrates; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP1A2 Substrates	NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1								PA166129466			Lonafarnib	CHEMBL298734	2467553
DB06451	Aprinocarsen	BE0001132	PRKCA	P17252	KPCA_HUMAN		16424642; 15868384	"Lahn M, Sundell K, Kohler G: The role of protein kinase C-alpha in hematologic malignancies. Acta Haematol. 2006;115(1-2):1-8.@@Vansteenkiste J, Canon JL, Riska H, Pirker R, Peterson P, John W, Mali P, Lahn M: Randomized phase II evaluation of aprinocarsen in combination with gemcitabine and cisplatin for patients with advanced/metastatic non-small cell lung cancer. Invest New Drugs. 2005 Jun;23(3):263-9."	Investigational			"Protein Kinase C, antagonists & inhibitors; Polynucleotides; Oligonucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"														2634355
DB06454	Sarizotan	BE0000756	DRD2	P14416	DRD2_HUMAN	partial agonist	14767715	"Bartoszyk GD, Van Amsterdam C, Greiner HE, Rautenberg W, Russ H, Seyfried CA: Sarizotan, a serotonin 5-HT1A receptor agonist and dopamine receptor ligand. 1. Neurochemical profile. J Neural Transm (Vienna). 2004 Feb;111(2):113-26. Epub 2003 Dec 31."	Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1											Sarizotan	CHEMBL220808	
DB06454	Sarizotan	BE0000581	DRD3	P35462	DRD3_HUMAN	ligand	14767715	"Bartoszyk GD, Van Amsterdam C, Greiner HE, Rautenberg W, Russ H, Seyfried CA: Sarizotan, a serotonin 5-HT1A receptor agonist and dopamine receptor ligand. 1. Neurochemical profile. J Neural Transm (Vienna). 2004 Feb;111(2):113-26. Epub 2003 Dec 31."	Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1											Sarizotan	CHEMBL220808	
DB06460	Enrasentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN		16219361	"Motte S, McEntee K, Naeije R: Endothelin receptor antagonists. Pharmacol Ther. 2006 Jun;110(3):386-414. Epub 2005 Oct 10."	Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Indenes; Endothelin Receptor Antagonists	CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1												CHEMBL431651	
DB06460	Enrasentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN		16219361	"Motte S, McEntee K, Naeije R: Endothelin receptor antagonists. Pharmacol Ther. 2006 Jun;110(3):386-414. Epub 2005 Oct 10."	Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Indenes; Endothelin Receptor Antagonists	CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1												CHEMBL431651	
DB06469	Lestaurtinib	BE0000147	FLT3	P36888	FLT3_HUMAN				Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Tyrosine Kinase Inhibitors; Indoles; Cytochrome P-450 CYP3A4 Inhibitors"	C[C@]12O[C@H](C[C@]1(O)CO)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C3C(=O)NC4)C3=CC=CC=C3N21											Lestaurtinib	CHEMBL175105	
DB06471	Naxifylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist			Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	"Heterocyclic Compounds, Fused-Ring; Purines; Purinergic P1 Receptor Antagonists; Purinones; Neurotransmitter Agents; Alkaloids; Purinergic Agents; Adenosine A1 Receptor Antagonists; Purinergic Antagonists"	[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1C1=NC2=C(N1)N(CCC)C(=O)C(CCC)C2=O						347827774						CHEMBL2107805	
DB06477	Sumanirole	BE0000756	DRD2	P14416	DRD2_HUMAN				Investigational	Aminoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring"	CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23											Sumanirole	CHEMBL419792	
DB06477	Sumanirole	BE0000581	DRD3	P35462	DRD3_HUMAN				Investigational	Aminoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring"	CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23											Sumanirole	CHEMBL419792	
DB06479	Propentofylline	BE0001133	PDE4A	P27815	PDE4A_HUMAN				Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Anti-Ulcer Agents; Heterocyclic Compounds, Fused-Ring; Purines; Central Nervous System Agents; Cytochrome P-450 Substrates; Purinones; Xanthine derivatives; Alkaloids; Protective Agents; Psychoanaleptics; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Psychostimulants, Agents Used for ADHD and Nootropics; Neuroprotective Agents; Compounds used in a research, industrial, or household setting"	CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C											Propentofylline	CHEMBL1079905	34644
DB06480	Prucalopride	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	11438309; 9679042	"Briejer MR, Bosmans JP, Van Daele P, Jurzak M, Heylen L, Leysen JE, Prins NH, Schuurkes JA: The in vitro pharmacological profile of prucalopride, a novel enterokinetic compound. Eur J Pharmacol. 2001 Jun 29;423(1):71-83.@@Grider JR, Foxx-Orenstein AE, Jin JG: 5-Hydroxytryptamine4 receptor agonists initiate the peristaltic reflex in human, rat, and guinea pig intestine. Gastroenterology. 1998 Aug;115(2):370-80. doi: 10.1016/s0016-5085(98)70203-3."	Approved	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Gastrointestinal Agents; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Miscellaneous GI Drugs; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Alimentary Tract and Metabolism; Serotonin-4 Receptor Agonist; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Serotonin 4 Receptor Agonists; Serotonin Agents; Serotonin 5-HT4 Receptor Agonists; Laxatives; Neurotransmitter Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Drugs for Constipation"	COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1					21066	310264873					Prucalopride	CHEMBL117287	2107310
DB06486	Enzastaurin	BE0000872	PRKCB	P05771	KPCB_HUMAN				Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12											Enzastaurin	CHEMBL300138	
DB06486	Enzastaurin	BE0000437	CDK15	Q96Q40	CDK15_HUMAN				Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12											Enzastaurin	CHEMBL300138	
DB06486	Enzastaurin	BE0003382	CHEK1	O14757	CHK1_HUMAN				Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12											Enzastaurin	CHEMBL300138	
DB06486	Enzastaurin	BE0003381	CHEK2	O96017	CHK2_HUMAN				Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12											Enzastaurin	CHEMBL300138	
DB06486	Enzastaurin	BE0000955	PIK3R1	P27986	P85A_HUMAN				Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12											Enzastaurin	CHEMBL300138	
DB06492	Mirococept	BE0003455	C3	P01024	CO3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB06494	Sufugolix	BE0000203	GNRHR	P30968	GNRHR_HUMAN				Investigational	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1											Sufugolix	CHEMBL22055	
DB06510	Muraglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN				Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	"Amino Acids; Cytochrome P-450 Substrates; UGT1A3 substrates; UGT1A1 Substrates; PPAR gamma, agonists; Cytochrome P-450 CYP1A2 Substrates; Amino Acids, Peptides, and Proteins; PPAR alpha, agonists; Cytochrome P-450 CYP2C8 Substrates"	COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1											Muraglitazar	CHEMBL186179	
DB06510	Muraglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN				Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	"Amino Acids; Cytochrome P-450 Substrates; UGT1A3 substrates; UGT1A1 Substrates; PPAR gamma, agonists; Cytochrome P-450 CYP1A2 Substrates; Amino Acids, Peptides, and Proteins; PPAR alpha, agonists; Cytochrome P-450 CYP2C8 Substrates"	COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1											Muraglitazar	CHEMBL186179	
DB06511	AMGN-0007	BE0003517	TNFSF11	O14788	TNF11_HUMAN		12548591	"Body JJ, Greipp P, Coleman RE, Facon T, Geurs F, Fermand JP, Harousseau JL, Lipton A, Mariette X, Williams CD, Nakanishi A, Holloway D, Martin SW, Dunstan CR, Bekker PJ: A phase I study of AMGN-0007, a recombinant osteoprotegerin construct, in patients with multiple myeloma or breast carcinoma related bone metastases. Cancer. 2003 Feb 1;97(3 Suppl):887-92."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Membrane Proteins; Proteins; Tumor Necrosis Factor Decoy Receptors; Amino Acids, Peptides, and Proteins"										O00300				
DB06512	Deramciclane	BE0000533	HTR2C	P28335	5HT2C_HUMAN	inverse agonist	9551765	"Palvimaki EP, Majasuo H, Kuoppamaki M, Mannisto PT, Syvalahti E, Hietala J: Deramciclane, a putative anxiolytic drug, is a serotonin 5-HT2C receptor inverse agonist but fails to induce 5-HT2C receptor down-regulation. Psychopharmacology (Berl). 1998 Mar;136(2):99-104."	Investigational	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Bridged-Ring Compounds; Monoterpenes; Terpenes; Bicyclic Monoterpenes; Norbornanes; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Anticonvulsants	[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C1=CC=CC=C1						347827775					Deramciclane	CHEMBL2104698	
DB06515	Resiniferatoxin	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN		2174484; 8483387; 11906962	"Szallasi A, Blumberg PM: Resiniferatoxin and its analogs provide novel insights into the pharmacology of the vanilloid (capsaicin) receptor. Life Sci. 1990;47(16):1399-408.@@Szallasi A, Conte B, Goso C, Blumberg PM, Manzini S: Characterization of a peripheral vanilloid (capsaicin) receptor in the urinary bladder of the rat. Life Sci. 1993;52(20):PL221-6.@@Nishihara K, Nozawa Y, Nakano M, Ajioka H, Matsuura N: Sensitizing effects of lafutidine on CGRP-containing afferent nerves in the rat stomach. Br J Pharmacol. 2002 Mar;135(6):1487-94."	Investigational			Terpenes; Neurotoxins	[H][C@]12O[C@]3(CC4=CC=CC=C4)O[C@]1(C[C@@]([H])(C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)CC3=CC(OC)=C(O)C=C3)=C[C@@]21[H])C(C)=C											Resiniferatoxin	CHEMBL17976	
DB06518	R-1487	BE0001019	MAPK14	Q16539	MK14_HUMAN		21375264	"Goldstein DM, Soth M, Gabriel T, Dewdney N, Kuglstatter A, Arzeno H, Chen J, Bingenheimer W, Dalrymple SA, Dunn J, Farrell R, Frauchiger S, La Fargue J, Ghate M, Graves B, Hill RJ, Li F, Litman R, Loe B, McIntosh J, McWeeney D, Papp E, Park J, Reese HF, Roberts RT, Rotstein D, San Pablo B, Sarma K, Stahl M, Sung ML, Suttman RT, Sjogren EB, Tan Y, Trejo A, Welch M, Weller P, Wong BR, Zecic H: Discovery of 6-(2,4-difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-p yrido[2,3-d]pyrimidin-7-one (pamapimod) and 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]py rimidin-7(8H)-one (R1487) as orally bioavailable and highly selective inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem. 2011 Apr 14;54(7):2255-65. doi: 10.1021/jm101423y. Epub 2011 Mar 4."	Investigational			"Mitogen-Activated Protein Kinase 14, antagonists & inhibitors; Pyridines"	CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2												CHEMBL1230122	
DB06521	Ertiprotafib	BE0000623	PTPN1	P18031	PTN1_HUMAN		17407812	"Shrestha S, Bhattarai BR, Cho H, Choi JK, Cho H: PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta). Bioorg Med Chem Lett. 2007 May 15;17(10):2728-30. Epub 2007 Mar 3."	Investigational	Naphthothiophenes	Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes	"Sulfur Compounds; Acids, Carbocyclic"	CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1												CHEMBL184041	
DB06521	Ertiprotafib	BE0001154	IKBKB	O14920	IKKB_HUMAN		17407812	"Shrestha S, Bhattarai BR, Cho H, Choi JK, Cho H: PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta). Bioorg Med Chem Lett. 2007 May 15;17(10):2728-30. Epub 2007 Mar 3."	Investigational	Naphthothiophenes	Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes	"Sulfur Compounds; Acids, Carbocyclic"	CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1												CHEMBL184041	
DB06521	Ertiprotafib	BE0000071	PPARA	Q07869	PPARA_HUMAN		15475571	"Erbe DV, Wang S, Zhang YL, Harding K, Kung L, Tam M, Stolz L, Xing Y, Furey S, Qadri A, Klaman LD, Tobin JF: Ertiprotafib improves glycemic control and lowers lipids via multiple mechanisms. Mol Pharmacol. 2005 Jan;67(1):69-77. Epub 2004 Oct 8."	Investigational	Naphthothiophenes	Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes	"Sulfur Compounds; Acids, Carbocyclic"	CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1												CHEMBL184041	
DB06521	Ertiprotafib	BE0000215	PPARG	P37231	PPARG_HUMAN		15475571	"Erbe DV, Wang S, Zhang YL, Harding K, Kung L, Tam M, Stolz L, Xing Y, Furey S, Qadri A, Klaman LD, Tobin JF: Ertiprotafib improves glycemic control and lowers lipids via multiple mechanisms. Mol Pharmacol. 2005 Jan;67(1):69-77. Epub 2004 Oct 8."	Investigational	Naphthothiophenes	Organic compounds; Benzenoids; Naphthalenes; Naphthothiophenes	"Sulfur Compounds; Acids, Carbocyclic"	CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1												CHEMBL184041	
DB06530	Resiquimod	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN		16081189	"Weeratna RD, Makinen SR, McCluskie MJ, Davis HL: TLR agonists as vaccine adjuvants: comparison of CpG ODN and Resiquimod (R-848). Vaccine. 2005 Nov 1;23(45):5263-70. Epub 2005 Jul 18."	Investigational	Imidazoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Imidazoquinolines	Immunomodulatory Agents; Immunologic Factors; Toll-Like Receptor Agonists	CCOCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CC(C)(C)O											Resiquimod	CHEMBL383322	
DB06533	Ragaglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN		12970088; 16240504	"Chakrabarti R, Vikramadithyan RK, Misra P, Hiriyan J, Raichur S, Damarla RK, Gershome C, Suresh J, Rajagopalan R: Ragaglitazar: a novel PPAR alpha PPAR gamma agonist with potent lipid-lowering and insulin-sensitizing efficacy in animal models. Br J Pharmacol. 2003 Oct;140(3):527-37. Epub 2003 Sep 1.@@Egerod FL, Nielsen HS, Iversen L, Thorup I, Storgaard T, Oleksiewicz MB: Biomarkers for early effects of carcinogenic dual-acting PPAR agonists in rat urinary bladder urothelium in vivo. Biomarkers. 2005 Jul-Aug;10(4):295-309."	Investigational	N-substituted phenoxazines	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines	"Acids, Carbocyclic"	CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O												CHEMBL24683	
DB06533	Ragaglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN		12970088; 16240504	"Chakrabarti R, Vikramadithyan RK, Misra P, Hiriyan J, Raichur S, Damarla RK, Gershome C, Suresh J, Rajagopalan R: Ragaglitazar: a novel PPAR alpha PPAR gamma agonist with potent lipid-lowering and insulin-sensitizing efficacy in animal models. Br J Pharmacol. 2003 Oct;140(3):527-37. Epub 2003 Sep 1.@@Egerod FL, Nielsen HS, Iversen L, Thorup I, Storgaard T, Oleksiewicz MB: Biomarkers for early effects of carcinogenic dual-acting PPAR agonists in rat urinary bladder urothelium in vivo. Biomarkers. 2005 Jul-Aug;10(4):295-309."	Investigational	N-substituted phenoxazines	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines	"Acids, Carbocyclic"	CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O												CHEMBL24683	
DB06536	Tesaglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN		16168052	"Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14."	Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Hydrocarbons, Acyclic; Alkanesulfonic Acids; Acids, Carbocyclic; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O											Tesaglitazar	CHEMBL282686	
DB06536	Tesaglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN		16168052	"Tenenbaum A, Motro M, Fisman EZ: Dual and pan-peroxisome proliferator-activated receptors (PPAR) co-agonism: the bezafibrate lessons. Cardiovasc Diabetol. 2005 Sep 16;4:14."	Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Hydrocarbons, Acyclic; Alkanesulfonic Acids; Acids, Carbocyclic; Sulfur Compounds; Sulfonic Acids; Sulfur Acids; Alkanes"	CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O											Tesaglitazar	CHEMBL282686	
DB06549	Labradimil	BE0003513	BDKRB2	P30411	BKRB2_HUMAN	agonist	11160651; 11160652; 11286321; 31874445	"Emerich DF, Snodgrass P, Dean RL, Lafreniere D, Agostino M, Wiens T, Xiong H, Hasler B, Marsh J, Pink M, Kim BS, Bartus RT: Bradykinin modulation of tumor vasculature: I. Activation of B2 receptors increases delivery of chemotherapeutic agents into solid peripheral tumors, enhancing their efficacy. J Pharmacol Exp Ther. 2001 Feb;296(2):623-31.@@Emerich DF, Dean RL, Snodgrass P, Lafreniere D, Agostino M, Wiens T, Xiong H, Hasler B, Marsh J, Pink M, Kim BS, Perdomo B, Bartus RT: Bradykinin modulation of tumor vasculature: II. activation of nitric oxide and phospholipase A2/prostaglandin signaling pathways synergistically modifies vascular physiology and morphology to enhance delivery of chemotherapeutic agents to tumors. J Pharmacol Exp Ther. 2001 Feb;296(2):632-41.@@Emerich DF, Dean RL, Osborn C, Bartus RT: The development of the bradykinin agonist labradimil as a means to increase the permeability of the blood-brain barrier: from concept to clinical evaluation. Clin Pharmacokinet. 2001;40(2):105-23. doi: 10.2165/00003088-200140020-00003.@@Gholamreza-Fahimi E, Bisha M, Hahn J, Strassen U, Krybus M, Khosravani F, Hoffmann TK, Hohlfeld T, Greve J, Bas M, Twarock S, Kojda G: Cyclooxygenase activity in bradykinin-induced dermal extravasation. A study in mice and humans. Biomed Pharmacother. 2020 Mar;123:109797. doi: 10.1016/j.biopha.2019.109797. Epub 2019 Dec 23."	Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Kinins; Inflammation Mediators; Biological Factors; Intercellular Signaling Peptides and Proteins; Oligopeptides; Nerve Tissue Proteins; Autacoids; Neuropeptides; Peptides; Proteins; Amino Acids, Peptides, and Proteins"	COC1=CC=C(C[C@@H](CN[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CS2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)C=C1												CHEMBL2105864	
DB06550	Bivatuzumab	BE0001113	CD44	P16070	CD44_HUMAN		14530488	"Postema EJ, Borjesson PK, Buijs WC, Roos JC, Marres HA, Boerman OC, de Bree R, Lang M, Munzert G, van Dongen GA, Oyen WJ: Dosimetric analysis of radioimmunotherapy with 186Re-labeled bivatuzumab in patients with head and neck cancer. J Nucl Med. 2003 Oct;44(10):1690-9."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Bivatuzumab		
DB06558	Tezosentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN		15542526	"Urbanowicz W, Sogni P, Moreau R, Tazi KA, Barriere E, Poirel O, Martin A, Guimont MC, Cazals-Hatem D, Lebrec D: Tezosentan, an endothelin receptor antagonist, limits liver injury in endotoxin challenged cirrhotic rats. Gut. 2004 Dec;53(12):1844-9."	Investigational	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cardiovascular Agents; Vasodilating Agents; Receptors, Endothelin"	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1											Tezosentan	CHEMBL61780	
DB06558	Tezosentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN		15542526	"Urbanowicz W, Sogni P, Moreau R, Tazi KA, Barriere E, Poirel O, Martin A, Guimont MC, Cazals-Hatem D, Lebrec D: Tezosentan, an endothelin receptor antagonist, limits liver injury in endotoxin challenged cirrhotic rats. Gut. 2004 Dec;53(12):1844-9."	Investigational	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cardiovascular Agents; Vasodilating Agents; Receptors, Endothelin"	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1											Tezosentan	CHEMBL61780	
DB06579	Adipiplon	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	partial agonist			Investigational	Triazolopyrimidines	Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines	GABA Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Tranquilizing Agents; Neurotransmitter Agents	CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12						347827777					Adipiplon	CHEMBL2103791	
DB06584	TG4010	BE0003501	MUC1	P15941	MUC1_HUMAN				Investigational			"Biological Products; Membrane Proteins; Complex Mixtures; Carbohydrates; Proteins; Glycoconjugates; Amino Acids, Peptides, and Proteins; Glycoproteins; Vaccines"														
DB06589	Pazopanib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	17288876	"Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9."	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	17288876	"Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9."	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0000023	FLT4	P35916	VGFR3_HUMAN		17288876	"Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9."	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	17288876	"Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9."	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	17288876	"Sonpavde G, Hutson TE: Pazopanib: a novel multitargeted tyrosine kinase inhibitor. Curr Oncol Rep. 2007 Mar;9(2):115-9."	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	23072642	Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000.	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0001341	ITK	Q08881	ITK_HUMAN	inhibitor	23072642	Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000.	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0000689	FGF1	P05230	FGF1_HUMAN	inhibitor	23072642	Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000.	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06589	Pazopanib	BE0004714	SH2B3	Q9UQQ2	SH2B3_HUMAN	inhibitor	23072642	Deeks ED: Pazopanib: in advanced soft tissue sarcoma. Drugs. 2012 Nov 12;72(16):2129-40. doi: 10.2165/11209950-000000000-00000.	Approved	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Angiogenesis Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1					20595	175427074	D05380				Pazopanib	CHEMBL477772	714438
DB06594	Agomelatine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	15289999	"Millan MJ, Brocco M, Gobert A, Dekeyne A: Anxiolytic properties of agomelatine, an antidepressant with melatoninergic and serotonergic properties: role of 5-HT2C receptor blockade. Psychopharmacology (Berl). 2005 Feb;177(4):448-58. Epub 2004 Jul 31."	Approved; Investigational	N-acetyl-2-arylethylamines	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Melatonin, agonists; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Serotonin Agents; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1						175427076	D02578	PA165958363			Agomelatine	CHEMBL10878	
DB06594	Agomelatine	BE0000515	MTNR1A	P48039	MTR1A_HUMAN	agonist	15289999	"Millan MJ, Brocco M, Gobert A, Dekeyne A: Anxiolytic properties of agomelatine, an antidepressant with melatoninergic and serotonergic properties: role of 5-HT2C receptor blockade. Psychopharmacology (Berl). 2005 Feb;177(4):448-58. Epub 2004 Jul 31."	Approved; Investigational	N-acetyl-2-arylethylamines	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Melatonin, agonists; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Serotonin Agents; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1						175427076	D02578	PA165958363			Agomelatine	CHEMBL10878	
DB06594	Agomelatine	BE0000327	MTNR1B	P49286	MTR1B_HUMAN	agonist	15289999	"Millan MJ, Brocco M, Gobert A, Dekeyne A: Anxiolytic properties of agomelatine, an antidepressant with melatoninergic and serotonergic properties: role of 5-HT2C receptor blockade. Psychopharmacology (Berl). 2005 Feb;177(4):448-58. Epub 2004 Jul 31."	Approved; Investigational	N-acetyl-2-arylethylamines	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Melatonin, agonists; Serotonin 5-HT2 Receptor Antagonists; Amides; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Acetates; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Acids, Acyclic; Serotonin Agents; Central Nervous System Agents; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Substrates"	COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1						175427076	D02578	PA165958363			Agomelatine	CHEMBL10878	
DB06595	Midostaurin	BE0001132	PRKCA	P17252	KPCA_HUMAN	antagonist	16969355	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06595	Midostaurin	BE0000369	KDR	P35968	VGFR2_HUMAN	antagonist	16969355	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06595	Midostaurin	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	antagonist	16969355	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06595	Midostaurin	BE0000147	FLT3	P36888	FLT3_HUMAN	antagonist	16969355; 27186148	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12.@@Gallogly MM, Lazarus HM: Midostaurin: an emerging treatment for acute myeloid leukemia patients. J Blood Med. 2016 Apr 19;7:73-83. doi: 10.2147/JBM.S100283. eCollection 2016."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06595	Midostaurin	BE0000453	KIT	P10721	KIT_HUMAN	antagonist	16969355	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06599	Lexatumumab	BE0003433	TNFRSF10B	O14763	TR10B_HUMAN		18056199; 17671142	"Zhang X, Li W, Olumi AF: Low-dose 12-O-tetradecanoylphorbol-13-acetate enhances tumor necrosis factor related apoptosis-inducing ligand induced apoptosis in prostate cancer cells. Clin Cancer Res. 2007 Dec 1;13(23):7181-90.@@Maddipatla S, Hernandez-Ilizaliturri FJ, Knight J, Czuczman MS: Augmented antitumor activity against B-cell lymphoma by a combination of monoclonal antibodies targeting TRAIL-R1 and CD20. Clin Cancer Res. 2007 Aug 1;13(15 Pt 1):4556-64."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Receptors, TNF-Related Apoptosis-Inducing Ligand; Immunologic Factors; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Lexatumumab		
DB06603	Panobinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	17455259; 17145876; 26848406	"Beckers T, Burkhardt C, Wieland H, Gimmnich P, Ciossek T, Maier T, Sanders K: Distinct pharmacological properties of second generation HDAC inhibitors with the benzamide or hydroxamate head group. Int J Cancer. 2007 Sep 1;121(5):1138-48.@@Geng L, Cuneo KC, Fu A, Tu T, Atadja PW, Hallahan DE: Histone deacetylase (HDAC) inhibitor LBH589 increases duration of gamma-H2AX foci and confines HDAC4 to the cytoplasm in irradiated non-small cell lung cancer. Cancer Res. 2006 Dec 1;66(23):11298-304.@@Favreau AJ, McGlauflin RE, Duarte CW, Sathyanarayana P: miR-199b, a novel tumor suppressor miRNA in acute myeloid leukemia with prognostic implications. Exp Hematol Oncol. 2016 Feb 3;5:4. doi: 10.1186/s40164-016-0033-6. eCollection 2015."	Approved; Investigational	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Histone deacetylase (HDAC) inhibitors; Indoles; Cytochrome P-450 Substrates; Histone Deacetylase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Hydroxy Acids; P-glycoprotein substrates; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Hydroxamic Acids"	CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1						310264874	D10019	PA166161307			Panobinostat	CHEMBL483254	1603350
DB06616	Bosutinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	30969999; 23493838	"Berndt S, Gurevich VV, Iverson TM: Crystal structure of the SH3 domain of human Lyn non-receptor tyrosine kinase. PLoS One. 2019 Apr 10;14(4):e0215140. doi: 10.1371/journal.pone.0215140. eCollection 2019.@@Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06616	Bosutinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN	inhibitor	19039322	"Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06616	Bosutinib	BE0004745	MAP3K2	Q9Y2U5	M3K2_HUMAN	inhibitor	23134735	"Ahmad S, Hughes MA, Johnson GL, Scott JE: Development and validation of a high-throughput intrinsic ATPase activity assay for the discovery of MEKK2 inhibitors. J Biomol Screen. 2013 Apr;18(4):388-99. doi: 10.1177/1087057112466430. Epub 2012  Nov 7."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06616	Bosutinib	BE0004384	CAMK2G	Q13555	KCC2G_HUMAN	inhibitor	23493838	"Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06616	Bosutinib	BE0009385	TEC	P42680	TEC_HUMAN	inhibitor	19039322	"Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06616	Bosutinib	BE0004041	SLK	Q9H2G2	SLK_HUMAN	inhibitor	19039322	"Remsing Rix LL, Rix U, Colinge J, Hantschel O, Bennett KL, Stranzl T, Muller A, Baumgartner C, Valent P, Augustin M, Till JH, Superti-Furga G: Global target profile of the kinase inhibitor bosutinib in primary chronic myeloid leukemia cells. Leukemia. 2009 Mar;23(3):477-85. doi: 10.1038/leu.2008.334. Epub 2008 Nov 27."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06626	Axitinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	18541897	"Cohen EE, Rosen LS, Vokes EE, Kies MS, Forastiere AA, Worden FP, Kane MA, Sherman E, Kim S, Bycott P, Tortorici M, Shalinsky DR, Liau KF, Cohen RB: Axitinib is an active treatment for all histologic subtypes of advanced thyroid cancer: results from a phase II study. J Clin Oncol. 2008 Oct 10;26(29):4708-13. doi: 10.1200/JCO.2007.15.9566. Epub 2008 Jun 9."	Approved; Investigational	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers	"OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Enzyme Inhibitors; Indazoles; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Benzoates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1					21398	347827779	D03218	PA164924493			Axitinib	CHEMBL1289926	1242999
DB06626	Axitinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	18541897	"Cohen EE, Rosen LS, Vokes EE, Kies MS, Forastiere AA, Worden FP, Kane MA, Sherman E, Kim S, Bycott P, Tortorici M, Shalinsky DR, Liau KF, Cohen RB: Axitinib is an active treatment for all histologic subtypes of advanced thyroid cancer: results from a phase II study. J Clin Oncol. 2008 Oct 10;26(29):4708-13. doi: 10.1200/JCO.2007.15.9566. Epub 2008 Jun 9."	Approved; Investigational	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers	"OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Enzyme Inhibitors; Indazoles; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Benzoates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1					21398	347827779	D03218	PA164924493			Axitinib	CHEMBL1289926	1242999
DB06626	Axitinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	18541897	"Cohen EE, Rosen LS, Vokes EE, Kies MS, Forastiere AA, Worden FP, Kane MA, Sherman E, Kim S, Bycott P, Tortorici M, Shalinsky DR, Liau KF, Cohen RB: Axitinib is an active treatment for all histologic subtypes of advanced thyroid cancer: results from a phase II study. J Clin Oncol. 2008 Oct 10;26(29):4708-13. doi: 10.1200/JCO.2007.15.9566. Epub 2008 Jun 9."	Approved; Investigational	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers	"OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Enzyme Inhibitors; Indazoles; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Benzoates; Benzamides and benzamide derivatives; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1					21398	347827779	D03218	PA164924493			Axitinib	CHEMBL1289926	1242999
DB06634	Casopitant	BE0000384	TACR1	P25103	NK1R_HUMAN		21229983	"Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13."	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Antiemetics and Antinauseants; Central Nervous System Agents; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Amides; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents; Alimentary Tract and Metabolism	C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F								PA166129533			Casopitant	CHEMBL1672054	
DB06637	Dalfampridine	BE0004715	KCNA2	P16389	KCNA2_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0004721	KCNB1	Q14721	KCNB1_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0004722	KCNB2	Q92953	KCNB2_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0004723	KCNC1	P48547	KCNC1_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0004724	KCNC2	Q96PR1	KCNC2_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0003603	KCND2	Q9NZV8	KCND2_HUMAN	antagonist	23184313	"Goodman AD, Stone RT: Enhancing neural transmission in multiple sclerosis (4-aminopyridine therapy). Neurotherapeutics. 2013 Jan;10(1):106-10. doi: 10.1007/s13311-012-0156-3."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06637	Dalfampridine	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	antagonist	16472864	"Judge SI, Bever CT Jr: Potassium channel blockers in multiple sclerosis: neuronal Kv channels and effects of symptomatic treatment. Pharmacol Ther. 2006 Jul;111(1):224-59. Epub 2006 Feb 9."	Approved	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives	Cytochrome P-450 CYP2E1 Substrates; Cardiovascular Agents; Cytochrome P-450 CYP2E1 Substrates with a Narrow Therapeutic Index; OCT2 Substrates with a Narrow Therapeutic Index; Amines; Aminopyridines; Cytochrome P-450 Substrates; Nervous System; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Other Miscellaneous Therapeutic Agents; Potassium Channel Blockers; Membrane Transport Modulators; Pyridines; OCT2 Substrates	NC1=CC=NC=C1					21173	175427081	D04127	PA166123389			4-Aminopyridine	CHEMBL284348	897018
DB06641	Perifosine	BE0000923	MAPK1	P28482	MK01_HUMAN		16528479	"Knowling M, Blackstein M, Tozer R, Bramwell V, Dancey J, Dore N, Matthews S, Eisenhauer E: A phase II study of perifosine (D-21226) in patients with previously untreated metastatic or locally advanced soft tissue sarcoma: A National Cancer Institute of Canada Clinical Trials Group trial. Invest New Drugs. 2006 Sep;24(5):435-9."	Investigational	Dialkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds	CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1											Perifosine	CHEMBL372764	
DB06641	Perifosine	BE0001132	PRKCA	P17252	KPCA_HUMAN		16528479	"Knowling M, Blackstein M, Tozer R, Bramwell V, Dancey J, Dore N, Matthews S, Eisenhauer E: A phase II study of perifosine (D-21226) in patients with previously untreated metastatic or locally advanced soft tissue sarcoma: A National Cancer Institute of Canada Clinical Trials Group trial. Invest New Drugs. 2006 Sep;24(5):435-9."	Investigational	Dialkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds	CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1											Perifosine	CHEMBL372764	
DB06643	Denosumab	BE0003517	TNFSF11	O14788	TNF11_HUMAN	antibody	18685421; 16702197	"Lipton A, Jun S: RANKL inhibition in the treatment of bone metastases. Curr Opin Support Palliat Care. 2008 Sep;2(3):197-203. doi: 10.1097/SPC.0b013e32830baac2.@@Westenfeld R, Ketteler M, Brandenburg VM: Anti-RANKL therapy--implications for the bone-vascular-axis in CKD? Denosumab in post-menopausal women with low bone mineral density. Nephrol Dial Transplant. 2006 Aug;21(8):2075-7. Epub 2006 May 15."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; RANK Ligand Inhibitor; Immunotherapy; Proteins; Immunoglobulins; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; Immunosuppressive Agents; Bone Density Conservation Agents; RANK Ligand Blocking Activity; Blood Proteins"						20570	347910354	D03684	PA166048634			Denosumab	CHEMBL1237023	993449
DB06650	Ofatumumab	BE0000066	MS4A1	P11836	CD20_HUMAN	antibody	18388516; 17768100; 19427037; 21317446; 33807678	"Dorner T, Burmester GR: New approaches of B-cell-directed therapy: beyond rituximab. Curr Opin Rheumatol. 2008 May;20(3):263-8. doi: 10.1097/BOR.0b013e3282f5e08d.@@Glennie MJ, French RR, Cragg MS, Taylor RP: Mechanisms of killing by anti-CD20 monoclonal antibodies. Mol Immunol. 2007 Sep;44(16):3823-37.@@Du J, Yang H, Guo Y, Ding J: Structure of the Fab fragment of therapeutic antibody Ofatumumab provides insights into the recognition mechanism with CD20. Mol Immunol. 2009 Jul;46(11-12):2419-23. doi: 10.1016/j.molimm.2009.04.009. Epub  2009 May 8.@@Schnaiter A, Stilgenbauer S: Refractory chronic lymphocytic leukemia--new therapeutic strategies. Oncotarget. 2010 Nov;1(7):472-82. doi: 10.18632/oncotarget.101103.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; CD20 (Clusters of Differentiation 20) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Proteins; Antineoplastic Agents; Antigens, CD20; Immunoglobulins; Selective Immunosuppressants; CD20-directed Antibody Interactions; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; CD20-directed Cytolytic Antibody; Blood Proteins"						21236	347910355	D09314				Ofatumumab	CHEMBL1201836	712566
DB06654	Safinamide	BE0002196	MAOB	P27338	AOFB_HUMAN	antagonist	15082032; 15563241	"Marzo A, Dal Bo L, Monti NC, Crivelli F, Ismaili S, Caccia C, Cattaneo C, Fariello RG: Pharmacokinetics and pharmacodynamics of safinamide, a neuroprotectant with antiparkinsonian and anticonvulsant activity. Pharmacol Res. 2004 Jul;50(1):77-85.@@Authors unspecified: Safinamide: FCE 26743, NW 1015, PNU 151774, PNU 151774E. Drugs R D. 2004;5(6):355-8."	Approved; Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Cytochrome P-450 CYP2D6 Inhibitors; Amines; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Monoamine Oxidase B Inhibitors; Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Amino Acids, Peptides, and Proteins; Antidepressive Agents; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Benzyl Compounds; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Amino Acids; Anti-Parkinson Drugs; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Monoamine Oxidase Inhibitors; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Dopamine Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O					23038	347827780					Safinamide	CHEMBL396778	1922448
DB06663	Pasireotide	BE0003528	SSTR2	P30874	SSR2_HUMAN		17395978; 11980628	"Zatelli MC, Piccin D, Vignali C, Tagliati F, Ambrosio MR, Bondanelli M, Cimino V, Bianchi A, Schmid HA, Scanarini M, Pontecorvi A, De Marinis L, Maira G, degli Uberti EC: Pasireotide, a multiple somatostatin receptor subtypes ligand, reduces cell viability in non-functioning pituitary adenomas by inhibiting vascular endothelial growth factor secretion. Endocr Relat Cancer. 2007 Mar;14(1):91-102.@@Bruns C, Lewis I, Briner U, Meno-Tetang G, Weckbecker G: SOM230: a novel somatostatin peptidomimetic with broad somatotropin release inhibiting factor (SRIF) receptor binding and a unique antisecretory profile. Eur J Endocrinol. 2002 May;146(5):707-16."	Approved	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"QTc Prolonging Agents; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Potential QTc-Prolonging Agents; Somatostatin Receptor Agonists; Neuropeptides; Peptides; Pancreatic Hormones; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Hypoglycemia-Associated Agents; Hypothalamic Hormones; Bradycardia-Causing Agents; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Somatostatin Agonists; Hormones, Hormone Substitutes, and Hormone Antagonists"	NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1					22149	175427082	D10147				Pasireotide	CHEMBL3349607	1364105
DB06677	Clazosentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN		16219361	"Motte S, McEntee K, Naeije R: Endothelin receptor antagonists. Pharmacol Ther. 2006 Jun;110(3):386-414. Epub 2005 Oct 10."	Investigational	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Sulfones; Vasospasm, Intracranial; Sulfur Compounds; Amides; Receptor, Endothelin A"	COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1												CHEMBL109648	
DB06678	Esmirtazapine	BE0000442	HRH1	P35367	HRH1_HUMAN	inverse agonist	26047892	"Ivgy-May N, Ruwe F, Krystal A, Roth T: Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a randomized, 6-week sleep laboratory trial. Sleep Med. 2015 Jul;16(7):838-44. doi: 10.1016/j.sleep.2015.04.001. Epub 2015 Apr 16."	Investigational	Piperazinoazepines	Organic compounds; Organoheterocyclic compounds; Piperazinoazepines	"Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT3 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Dibenzazepines; Agents that produce hypertension; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Histamine Agents; Adrenergic Agents"	[H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1						310264876					Esmirtazapine	CHEMBL1366933	
DB06678	Esmirtazapine	BE0004957	HTR2A	P28335	5HT2C_HUMAN	inverse agonist	26047892	"Ivgy-May N, Ruwe F, Krystal A, Roth T: Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a randomized, 6-week sleep laboratory trial. Sleep Med. 2015 Jul;16(7):838-44. doi: 10.1016/j.sleep.2015.04.001. Epub 2015 Apr 16."	Investigational	Piperazinoazepines	Organic compounds; Organoheterocyclic compounds; Piperazinoazepines	"Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT3 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antidepressive Agents, Tetracyclic; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Dibenzazepines; Agents that produce hypertension; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Histamine Agents; Adrenergic Agents"	[H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1						310264876					Esmirtazapine	CHEMBL1366933	
DB06680	Asoprisnil	BE0000557	PGR	P06401	PRGR_HUMAN		15857972; 15714390	"Chwalisz K, Perez MC, Demanno D, Winkel C, Schubert G, Elger W: Selective progesterone receptor modulator development and use in the treatment of leiomyomata and endometriosis. Endocr Rev. 2005 May;26(3):423-38. Epub 2005 Apr 27.@@Schubert G, Elger W, Kaufmann G, Schneider B, Reddersen G, Chwalisz K: Discovery, chemistry, and reproductive pharmacology of asoprisnil and related 11beta-benzaldoxime substituted selective progesterone receptor modulators (SPRMs). Semin Reprod Med. 2005 Feb;23(1):58-73."	Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	Fused-Ring Compounds; Amines; Estranes; Hydroxylamines; Steroids	[H]\C(=N/O)C1=CC=C(C=C1)[C@@]1([H])C[C@@]2(C)[C@@]([H])(CC[C@]2(COC)OC)[C@]2([H])CCC3=CC(=O)CCC3=C12											Asoprisnil	CHEMBL267431	
DB06681	Belatacept	BE0000846	CD86	P42081	CD86_HUMAN	antagonist	18269922	Vincenti F: Costimulation blockade in autoimmunity and transplantation. J Allergy Clin Immunol. 2008 Feb;121(2):299-306; quiz 307-8. doi: 10.1016/j.jaci.2008.01.002.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Serum Globulins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; T Lymphocyte Costimulation Activity Blockade; Immunologic Factors; Proteins; CD86-directed Antibody Interactions; CD80-directed Antibody Interactions; Selective Immunosuppressants; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Selective T Cell Costimulation Blocker; Antirheumatic Agents; Blood Proteins"							347910359	D03222				Belatacept	CHEMBL1742990	1112973
DB06681	Belatacept	BE0000847	CD80	P33681	CD80_HUMAN	antagonist	17616278; 16978033	"Yabu JM, Vincenti F: Novel immunosuppression: small molecules and biologics. Semin Nephrol. 2007 Jul;27(4):479-86.@@Tedesco Silva H Jr, Pinheiro Machado P, Rosso Felipe C, Medina Pestana JO: Immunotherapy for De Novo renal transplantation: what's in the pipeline? Drugs. 2006;66(13):1665-84."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Serum Globulins; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; T Lymphocyte Costimulation Activity Blockade; Immunologic Factors; Proteins; CD86-directed Antibody Interactions; CD80-directed Antibody Interactions; Selective Immunosuppressants; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Selective T Cell Costimulation Blocker; Antirheumatic Agents; Blood Proteins"							347910359	D03222				Belatacept	CHEMBL1742990	1112973
DB06684	Vilazodone	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	22346333; 12183683; 15507223	"Cruz MP: Vilazodone HCl (Viibryd): A Serotonin Partial Agonist and Reuptake Inhibitor For the Treatment of Major Depressive Disorder. P T. 2012 Jan;37(1):28-31.@@Page ME, Cryan JF, Sullivan A, Dalvi A, Saucy B, Manning DR, Lucki I: Behavioral and neurochemical effects of 5-(4-[4-(5-Cyano-3-indolyl)-butyl)-butyl]-1-piperazinyl)-benzofuran-2-carboxamide (EMD 68843): a combined selective inhibitor of serotonin reuptake and 5-hydroxytryptamine(1A) receptor partial agonist. J Pharmacol Exp Ther. 2002 Sep;302(3):1220-7.@@Adamec R, Bartoszyk GD, Burton P: Effects of systemic injections of vilazodone, a selective serotonin reuptake inhibitor and serotonin 1A receptor agonist, on anxiety induced by predator stress in rats. Eur J Pharmacol. 2004 Nov 3;504(1-2):65-77."	Approved	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Cytochrome P-450 CYP2D6 Inhibitors; Piperazines; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Neurotransmitter Uptake Inhibitors; Indoles; Antidepressive Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Psychoanaleptics; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Benzofurans; Nervous System; Serotonin antagonist and reuptake inhibitors (SARIs)"	NC(=O)C1=CC2=CC(=CC=C2O1)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1					22626	175427083	D09698				Vilazodone	CHEMBL439849	1086769
DB06688	Sipuleucel-T	BE0001102	ACPP	P15309	PPAP_HUMAN	other	15176049; 16736512; 26025563	"Burch PA, Croghan GA, Gastineau DA, Jones LA, Kaur JS, Kylstra JW, Richardson RL, Valone FH, Vuk-Pavlovic S: Immunotherapy (APC8015, Provenge) targeting prostatic acid phosphatase can induce durable remission of metastatic androgen-independent prostate cancer: a Phase 2 trial. Prostate. 2004 Aug 1;60(3):197-204.@@Rini BI, Weinberg V, Fong L, Conry S, Hershberg RM, Small EJ: Combination immunotherapy with prostatic acid phosphatase pulsed antigen-presenting cells (provenge) plus bevacizumab in patients with serologic progression of prostate cancer after definitive local therapy. Cancer. 2006 Jul 1;107(1):67-74.@@Mulders PF, De Santis M, Powles T, Fizazi K: Targeted treatment of metastatic castration-resistant prostate cancer with sipuleucel-T immunotherapy. Cancer Immunol Immunother. 2015 Jun;64(6):655-63. doi: 10.1007/s00262-015-1707-3. Epub 2015 May 30."	Approved; Investigational			"Antineoplastic and Immunomodulating Agents; Immunotherapy; Cell-mediated Immunity; Cancer immunotherapy; Complex Mixtures; Autologous Cellular Immunotherapy; Intercellular Adhesion Molecule-1; Adjuvants, Immunologic; Cancer Vaccines"							347910360	D06644				Sipuleucel-T	CHEMBL1237024	997261
DB06691	Mepyramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	19544046; 19537525; 19552055; 16402096; 1979798	"Moriyama K, Liu J, Jang Y, Chae YJ, Wang Y, Mitchell J, Grond S, Han X, Xing Y, Xie GX, Pierce Palmer P: Receptor mediation and nociceptin inhibition of bradykinin-induced plasma extravasation in the knee joint of the rat. Inflamm Res. 2009 Dec;58(12):873-80. doi: 10.1007/s00011-009-0058-y. Epub 2009 Jun 21.@@Chhabria MT, Patel VT, Rajan KS, Brahmkshatriya PS: Design, synthesis and histamine H1-receptor antagonistic activity of some novel 4-amino-2-(substituted)-5-(substituted) aryl-6-[(substituted aryl) amino] pyrimidines. Arzneimittelforschung. 2009;59(5):243-7.@@Mojtahedin A, Tamaddonfard E, Zanboori A: Antinociception induced by central administration of histamine in the formalin test in rats. Indian J Physiol Pharmacol. 2008 Jul-Sep;52(3):249-54.@@Parsons ME, Ganellin CR: Histamine and its receptors. Br J Pharmacol. 2006 Jan;147 Suppl 1:S127-35.@@Snowman AM, Snyder SH: Cetirizine: actions on neurotransmitter receptors. J Allergy Clin Immunol. 1990 Dec;86(6 Pt 2):1025-8."	Approved; Vet_approved	2-benzylaminopyridines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines	"Cytochrome P-450 CYP2D6 Inhibitors; Anti-Allergic Agents; QTc Prolonging Agents; Amines; Histamine H1 Antagonists; Dermatologicals; Pyridines; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Substituted Ethylene Diamines; Potential QTc-Prolonging Agents; Sleep Aids, Pharmaceutical; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Central Nervous System Agents; Aminopyridines; Neurotransmitter Agents; Antihistamines for Systemic Use; Histamine Agents; Antihistamines for Topical Use"	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1		Mepyramine H1-Antihistamine Action	drug_action		7155	175427084	D08183	PA165817939			Mepyramine	CHEMBL511	9009
DB06692	Aprotinin	BE0000211	PLG	P00747	PLMN_HUMAN		15277296	"Mahdy AM, Webster NR: Perioperative systemic haemostatic agents. Br J Anaesth. 2004 Dec;93(6):842-58. Epub 2004 Jul 26."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Protease Inhibitors; Serine Protease Inhibitors; Antifibrinolytic Agents; Enzyme Inhibitors; Trypsin Inhibitors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Cholinesterase Inhibitors; Hematologic Agents; Proteins; Decreased Fibrinolysis; Amino Acids, Peptides, and Proteins; Proteinase Inhibitors"			Aprotinin Action Pathway	drug_action		20461	347910361	D02971	PA448472		DAP000185	Aprotinin	CHEMBL1201619	353110
DB06692	Aprotinin	BE0001091	KLK1	P06870	KLK1_HUMAN		15277296	"Mahdy AM, Webster NR: Perioperative systemic haemostatic agents. Br J Anaesth. 2004 Dec;93(6):842-58. Epub 2004 Jul 26."	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Protease Inhibitors; Serine Protease Inhibitors; Antifibrinolytic Agents; Enzyme Inhibitors; Trypsin Inhibitors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Cholinesterase Inhibitors; Hematologic Agents; Proteins; Decreased Fibrinolysis; Amino Acids, Peptides, and Proteins; Proteinase Inhibitors"			Aprotinin Action Pathway	drug_action		20461	347910361	D02971	PA448472		DAP000185	Aprotinin	CHEMBL1201619	353110
DB06693	Mevastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	12433810; 12518039; 12671581; 12677170; 12852453; 11752352; 10592235	"Kocarek TA, Dahn MS, Cai H, Strom SC, Mercer-Haines NA: Regulation of CYP2B6 and CYP3A expression by hydroxymethylglutaryl coenzyme A inhibitors in primary cultured human hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5.@@Cenedella RJ, Kuszak JR, Al-Ghoul KJ, Qin S, Sexton PS: Discordant expression of the sterol pathway in lens underlies simvastatin-induced cataracts in Chbb: Thom rats. J Lipid Res. 2003 Jan;44(1):198-211.@@Stoebner PE, Michot C, Ligeron C, Durand L, Meynadier J, Meunier L: [Simvastatin-induced lichen planus pemphigoides]. Ann Dermatol Venereol. 2003 Feb;130(2 Pt 1):187-90.@@Pappu AS, Bacon SP, Illingworth DR: Residual effects of lovastatin and simvastatin on urinary mevalonate excretions in patients with familial hypercholesterolemia. J Lab Clin Med. 2003 Apr;141(4):250-6.@@Liu L, Zhang R, Zhao JJ, Rogers JD, Hsieh JY, Fang W, Matuszewski BK, Dobrinska MR: Determination of simvastatin-derived HMG-CoA reductase inhibitors in biomatrices using an automated enzyme inhibition assay with radioactivity detection. J Pharm Biomed Anal. 2003 Apr 24;32(1):107-23.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Delta valerolactones	Organic compounds; Organoheterocyclic compounds; Lactones; Delta valerolactones	Agents Causing Muscle Toxicity; Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Naphthalenes; Anticholesteremic Agents; Hydroxymethylglutaryl-CoA Reductase Inhibitors; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Lipid Regulating Agents	[H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC						99443247					Mevastatin	CHEMBL54440	
DB06694	Xylometazoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	8894610; 20030735	"Yang HT, Endoh M: (+/-)-tamsulosin, an alpha 1A-adrenoceptor antagonist, inhibits the positive inotropic effect but not the accumulation of inositol phosphates in rabbit heart. Eur J Pharmacol. 1996 Oct 3;312(3):281-91.@@Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Calcium Channel Blockers; Vasoconstrictor Agents; Nasal Preparations; Adrenergic Agonists; Vasodilating Agents; Agents that produce hypertension; Respiratory System Agents; Adrenergic alpha-1 Receptor Agonists; Antiarrhythmic agents; Ophthalmologicals; Decongestants and Antiallergics; Antihistamine Drugs; Sympathomimetics, Plain; Sensory Organs"	CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C					5869	99443248	D08684	PA165958368			Xylometazoline	CHEMBL312448	39841
DB06694	Xylometazoline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist	20030735	"Haenisch B, Walstab J, Herberhold S, Bootz F, Tschaikin M, Ramseger R, Bonisch H: Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39. doi: 10.1111/j.1472-8206.2009.00805.x."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Calcium Channel Blockers; Vasoconstrictor Agents; Nasal Preparations; Adrenergic Agonists; Vasodilating Agents; Agents that produce hypertension; Respiratory System Agents; Adrenergic alpha-1 Receptor Agonists; Antiarrhythmic agents; Ophthalmologicals; Decongestants and Antiallergics; Antihistamine Drugs; Sympathomimetics, Plain; Sensory Organs"	CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C					5869	99443248	D08684	PA165958368			Xylometazoline	CHEMBL312448	39841
DB06698	Betahistine	BE0000442	HRH1	P35367	HRH1_HUMAN	agonist	18447604; 11700150; 19300572	"Barak N: Betahistine: what's new on the agenda? Expert Opin Investig Drugs. 2008 May;17(5):795-804. doi: 10.1517/13543784.17.5.795 .@@Lacour M, Sterkers O: Histamine and betahistine in the treatment of vertigo: elucidation of mechanisms of action. CNS Drugs. 2001;15(11):853-70.@@Lacour M, van de Heyning PH, Novotny M, Tighilet B: Betahistine in the treatment of Meniere's disease. Neuropsychiatr Dis Treat. 2007 Aug;3(4):429-40."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Miscellaneous Therapeutic Agents; Histamine Agonists; Histamine Antagonists; Antivertigo Preparations; Vasodilating Agents; Neurotransmitter Agents; Nervous System; Histamine Agents; Miscellaneous Central Nervous System Agents; Pyridines	CNCCC1=CC=CC=N1		Betahistine H1-Antihistamine Action	drug_action		9483	99443252	D07522	PA165958372			Betahistine	CHEMBL24441	1511
DB06699	Degarelix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	20110043; 20053189; 19450172; 15705170	"Steinberg M: Degarelix: a gonadotropin-releasing hormone antagonist for the management of prostate cancer. Clin Ther. 2009;31 Pt 2:2312-31. doi: 10.1016/j.clinthera.2009.11.009.@@Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x.@@Anderson J: Degarelix: a novel gonadotropin-releasing hormone blocker for the treatment of prostate cancer. Future Oncol. 2009 May;5(4):433-43. doi: 10.2217/fon.09.24.@@Samant MP, Miller C, Hong DJ, Koerber SC, Croston G, Rivier CL, Rivier JE: Synthesis and biological activity of GnRH antagonists modified at position 3 with 3-(2-methoxy-5-pyridyl)-alanine. J Pept Res. 2005 Feb;65(2):284-91."	Approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Potential QTc-Prolonging Agents; Antineoplastic and Immunomodulating Agents; Decreased GnRH Secretion; Gonadotropin-releasing Hormone Antagonists; Endocrine Therapy; QTc Prolonging Agents; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Gonadotropin Releasing Hormone Receptor Antagonists; Peptides; Hormone Antagonists and Related Agents; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"	CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O					20557	99443253	D08901	PA165958373			Degarelix	CHEMBL415606	475230
DB06700	Desvenlafaxine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	16675639; 17673606; 19698900; 19086875; 20944767; 19919295	"Deecher DC, Beyer CE, Johnston G, Bray J, Shah S, Abou-Gharbia M, Andree TH: Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor. J Pharmacol Exp Ther. 2006 Aug;318(2):657-65. Epub 2006 May 4.@@Mason JN, Deecher DC, Richmond RL, Stack G, Mahaney PE, Trybulski E, Winneker RC, Blakely RD: Desvenlafaxine succinate identifies novel antagonist binding determinants in the human norepinephrine transporter. J Pharmacol Exp Ther. 2007 Nov;323(2):720-9. Epub 2007 Aug 2.@@Perry R, Cassagnol M: Desvenlafaxine: a new serotonin-norepinephrine reuptake inhibitor for the treatment of adults with major depressive disorder. Clin Ther. 2009 Jun;31 Pt 1:1374-404. doi: 10.1016/j.clinthera.2009.07.012.@@Kamath J, Handratta V: Desvenlafaxine succinate for major depressive disorder: a critical review of the evidence. Expert Rev Neurother. 2008 Dec;8(12):1787-97. doi: 10.1586/14737175.8.12.1787.@@Liebowitz MR, Tourian KA: Efficacy, safety, and tolerability of Desvenlafaxine 50 mg/d for the treatment of major depressive disorder:a systematic review of clinical trials. Prim Care Companion J Clin Psychiatry. 2010;12(3). pii: PCC.09r00845. doi: 10.4088/PCC.09r00845blu.@@Reddy S, Kane C, Pitrosky B, Musgnung J, Ninan PT, Guico-Pabia CJ: Clinical utility of desvenlafaxine 50 mg/d for treating MDD: a review of two randomized placebo-controlled trials for the practicing physician. Curr Med Res Opin. 2010 Jan;26(1):139-50. doi: 10.1185/03007990903408678."	Approved; Investigational	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Cytochrome P-450 CYP2D6 Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Cyclohexanols; Neurotransmitter Uptake Inhibitors; UGT2B17 substrates; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Fatty Alcohols; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Phenols; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; UGT1A3 substrates; Lipids; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; UGT1A1 Substrates; Neurotransmitter Agents; Nervous System	CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		20430	99443254	D07793	PA165958374			Desvenlafaxine	CHEMBL1118	734064
DB06700	Desvenlafaxine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	16675639; 17673606; 19698900; 19086875; 20944767; 19919295	"Deecher DC, Beyer CE, Johnston G, Bray J, Shah S, Abou-Gharbia M, Andree TH: Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor. J Pharmacol Exp Ther. 2006 Aug;318(2):657-65. Epub 2006 May 4.@@Mason JN, Deecher DC, Richmond RL, Stack G, Mahaney PE, Trybulski E, Winneker RC, Blakely RD: Desvenlafaxine succinate identifies novel antagonist binding determinants in the human norepinephrine transporter. J Pharmacol Exp Ther. 2007 Nov;323(2):720-9. Epub 2007 Aug 2.@@Perry R, Cassagnol M: Desvenlafaxine: a new serotonin-norepinephrine reuptake inhibitor for the treatment of adults with major depressive disorder. Clin Ther. 2009 Jun;31 Pt 1:1374-404. doi: 10.1016/j.clinthera.2009.07.012.@@Kamath J, Handratta V: Desvenlafaxine succinate for major depressive disorder: a critical review of the evidence. Expert Rev Neurother. 2008 Dec;8(12):1787-97. doi: 10.1586/14737175.8.12.1787.@@Liebowitz MR, Tourian KA: Efficacy, safety, and tolerability of Desvenlafaxine 50 mg/d for the treatment of major depressive disorder:a systematic review of clinical trials. Prim Care Companion J Clin Psychiatry. 2010;12(3). pii: PCC.09r00845. doi: 10.4088/PCC.09r00845blu.@@Reddy S, Kane C, Pitrosky B, Musgnung J, Ninan PT, Guico-Pabia CJ: Clinical utility of desvenlafaxine 50 mg/d for treating MDD: a review of two randomized placebo-controlled trials for the practicing physician. Curr Med Res Opin. 2010 Jan;26(1):139-50. doi: 10.1185/03007990903408678."	Approved; Investigational	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Cytochrome P-450 CYP2D6 Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Cyclohexanols; Neurotransmitter Uptake Inhibitors; UGT2B17 substrates; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Fatty Alcohols; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Phenols; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; UGT1A3 substrates; Lipids; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; UGT1A1 Substrates; Neurotransmitter Agents; Nervous System	CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		20430	99443254	D07793	PA165958374			Desvenlafaxine	CHEMBL1118	734064
DB06700	Desvenlafaxine	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	20944767	"Liebowitz MR, Tourian KA: Efficacy, safety, and tolerability of Desvenlafaxine 50 mg/d for the treatment of major depressive disorder:a systematic review of clinical trials. Prim Care Companion J Clin Psychiatry. 2010;12(3). pii: PCC.09r00845. doi: 10.4088/PCC.09r00845blu."	Approved; Investigational	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	Cytochrome P-450 CYP2D6 Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Benzene Derivatives; Cyclohexanols; Neurotransmitter Uptake Inhibitors; UGT2B17 substrates; Antidepressive Agents; Selective Serotonin Reuptake Inhibitors; Fatty Alcohols; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hexanols; Phenols; Alcohols; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Cyclohexanes; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Serotonin and Noradrenaline Reuptake Inhibitors; Agents that reduce seizure threshold; UGT1A3 substrates; Lipids; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; UGT1A1 Substrates; Neurotransmitter Agents; Nervous System	CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1		Venlafaxine Metabolism Pathway	drug_metabolism		20430	99443254	D07793	PA165958374			Desvenlafaxine	CHEMBL1118	734064
DB06701	Dexmethylphenidate	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	18480678; 9181638; 11862378; 10025684; 10037500; 10199939; 10403500; 10414438; 11752352; 9537821; 15303308; 18698001	"Markowitz JS, Patrick KS: Differential pharmacokinetics and pharmacodynamics of methylphenidate enantiomers: does chirality matter? J Clin Psychopharmacol. 2008 Jun;28(3 Suppl 2):S54-61. doi: 10.1097/JCP.0b013e3181733560.@@Ding YS, Fowler JS, Volkow ND, Dewey SL, Wang GJ, Logan J, Gatley SJ, Pappas N: Chiral drugs: comparison of the pharmacokinetics of [11C]d-threo and L-threo-methylphenidate in the human and baboon brain. Psychopharmacology (Berl). 1997 May;131(1):71-8.@@Davids E, Zhang K, Tarazi FI, Baldessarini RJ: Stereoselective effects of methylphenidate on motor hyperactivity in juvenile rats induced by neonatal 6-hydroxydopamine lesioning. Psychopharmacology (Berl). 2002 Feb;160(1):92-8. Epub 2001 Dec 18.@@Volkow ND, Fowler JS, Gatley SJ, Dewey SL, Wang GJ, Logan J, Ding YS, Franceschi D, Gifford A, Morgan A, Pappas N, King P: Comparable changes in synaptic dopamine induced by methylphenidate and by cocaine in the baboon brain. Synapse. 1999 Jan;31(1):59-66.@@Wayment HK, Deutsch H, Schweri MM, Schenk JO: Effects of methylphenidate analogues on phenethylamine substrates for the striatal dopamine transporter: potential as amphetamine antagonists? J Neurochem. 1999 Mar;72(3):1266-74.@@Dresel SH, Kung MP, Huang X, Plossl K, Hou C, Shiue CY, Karp J, Kung HF: In vivo imaging of serotonin transporters with [99mTc]TRODAT-1 in nonhuman primates. Eur J Nucl Med. 1999 Apr;26(4):342-7.@@Volkow ND, Wang GJ, Fowler JS, Fischman M, Foltin R, Abumrad NN, Gatley SJ, Logan J, Wong C, Gifford A, Ding YS, Hitzemann R, Pappas N: Methylphenidate and cocaine have a similar in vivo potency to block dopamine transporters in the human brain. Life Sci. 1999;65(1):PL7-12.@@Izenwasser S, Coy AE, Ladenheim B, Loeloff RJ, Cadet JL, French D: Chronic methylphenidate alters locomotor activity and dopamine transporters differently from cocaine. Eur J Pharmacol. 1999 Jun 4;373(2-3):187-93.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Viggiano D, Vallone D, Sadile A: Dysfunctions in dopamine systems and ADHD: evidence from animals and modeling. Neural Plast. 2004;11(1-2):97-114.@@Tilley MR, Gu HH: The effects of methylphenidate on knockin mice with a methylphenidate-resistant dopamine transporter. J Pharmacol Exp Ther. 2008 Nov;327(2):554-60. doi: 10.1124/jpet.108.141713. Epub  2008 Aug 12."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Methylphenidate and isomer; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Central Nervous System Stimulation; Antidepressive Agents; Phenylacetates; Central Nervous System Depressants; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Serotonin Modulators; Agents that produce hypertension; Centrally Acting Sympathomimetics; Piperidines; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents"	[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1					20243	99443255		PA10054			Dexmethylphenidate	CHEMBL827	352372
DB06701	Dexmethylphenidate	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	18480678; 9181638; 11862378; 15322419; 17218796; 16246598; 17611273; 11160413; 9537821; 18698001	"Markowitz JS, Patrick KS: Differential pharmacokinetics and pharmacodynamics of methylphenidate enantiomers: does chirality matter? J Clin Psychopharmacol. 2008 Jun;28(3 Suppl 2):S54-61. doi: 10.1097/JCP.0b013e3181733560.@@Ding YS, Fowler JS, Volkow ND, Dewey SL, Wang GJ, Logan J, Gatley SJ, Pappas N: Chiral drugs: comparison of the pharmacokinetics of [11C]d-threo and L-threo-methylphenidate in the human and baboon brain. Psychopharmacology (Berl). 1997 May;131(1):71-8.@@Davids E, Zhang K, Tarazi FI, Baldessarini RJ: Stereoselective effects of methylphenidate on motor hyperactivity in juvenile rats induced by neonatal 6-hydroxydopamine lesioning. Psychopharmacology (Berl). 2002 Feb;160(1):92-8. Epub 2001 Dec 18.@@Yang L, Wang YF, Li J, Faraone SV: Association of norepinephrine transporter gene with methylphenidate response. J Am Acad Child Adolesc Psychiatry. 2004 Sep;43(9):1154-8.@@Williard RL, Middaugh LD, Zhu HJ, Patrick KS: Methylphenidate and its ethanol transesterification metabolite ethylphenidate: brain disposition, monoamine transporters and motor activity. Behav Pharmacol. 2007 Feb;18(1):39-51.@@Chuhan YS, Taukulis HK: Impairment of single-trial memory formation by oral methylphenidate in the rat. Neurobiol Learn Mem. 2006 Mar;85(2):125-31. Epub 2005 Oct 24.@@Gray JD, Punsoni M, Tabori NE, Melton JT, Fanslow V, Ward MJ, Zupan B, Menzer D, Rice J, Drake CT, Romeo RD, Brake WG, Torres-Reveron A, Milner TA: Methylphenidate administration to juvenile rats alters brain areas involved in cognition, motivated behaviors, appetite, and stress. J Neurosci. 2007 Jul 4;27(27):7196-207.@@Sandoval V, Riddle EL, Ugarte YV, Hanson GR, Fleckenstein AE: Methamphetamine-induced rapid and reversible changes in dopamine transporter function: an in vitro model. J Neurosci. 2001 Feb 15;21(4):1413-9.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58.@@Tilley MR, Gu HH: The effects of methylphenidate on knockin mice with a methylphenidate-resistant dopamine transporter. J Pharmacol Exp Ther. 2008 Nov;327(2):554-60. doi: 10.1124/jpet.108.141713. Epub  2008 Aug 12."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Methylphenidate and isomer; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Central Nervous System Stimulation; Antidepressive Agents; Phenylacetates; Central Nervous System Depressants; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Serotonin Modulators; Agents that produce hypertension; Centrally Acting Sympathomimetics; Piperidines; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents"	[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1					20243	99443255		PA10054			Dexmethylphenidate	CHEMBL827	352372
DB06701	Dexmethylphenidate	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	10199939; 10414438; 17154506	"Dresel SH, Kung MP, Huang X, Plossl K, Hou C, Shiue CY, Karp J, Kung HF: In vivo imaging of serotonin transporters with [99mTc]TRODAT-1 in nonhuman primates. Eur J Nucl Med. 1999 Apr;26(4):342-7.@@Izenwasser S, Coy AE, Ladenheim B, Loeloff RJ, Cadet JL, French D: Chronic methylphenidate alters locomotor activity and dopamine transporters differently from cocaine. Eur J Pharmacol. 1999 Jun 4;373(2-3):187-93.@@Stehouwer JS, Jarkas N, Zeng F, Voll RJ, Williams L, Owens MJ, Votaw JR, Goodman MM: Synthesis, radiosynthesis, and biological evaluation of carbon-11 labeled 2beta-carbomethoxy-3beta-(3'-((Z)-2-haloethenyl)phenyl)nortropanes: candidate radioligands for in vivo imaging of the serotonin transporter with positron emission tomography. J Med Chem. 2006 Nov 16;49(23):6760-7."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Methylphenidate and isomer; Neurotransmitter Uptake Inhibitors; Central Nervous System Stimulants; Central Nervous System Stimulation; Antidepressive Agents; Phenylacetates; Central Nervous System Depressants; Psychoanaleptics; Membrane Transport Modulators; Psychostimulants, Agents Used for ADHD and Nootropics; Serotonin Modulators; Agents that produce hypertension; Centrally Acting Sympathomimetics; Piperidines; Serotonin Agents; Central Nervous System Agents; Neurotransmitter Agents; Nervous System; Dopamine Uptake Inhibitors; Dopamine Agents"	[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1					20243	99443255		PA10054			Dexmethylphenidate	CHEMBL827	352372
DB06702	Fesoterodine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	11752352; 12076307	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Nilvebrant L: Tolterodine and its active 5-hydroxymethyl metabolite: pure muscarinic receptor antagonists. Pharmacol Toxicol. 2002 May;90(5):260-7."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C					21178	99443256	D07226	PA165958376			Fesoterodine	CHEMBL1201764	797195
DB06702	Fesoterodine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	19029429	"Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C					21178	99443256	D07226	PA165958376			Fesoterodine	CHEMBL1201764	797195
DB06702	Fesoterodine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	19029429	"Mansfield KJ, Chandran JJ, Vaux KJ, Millard RJ, Christopoulos A, Mitchelson FJ, Burcher E: Comparison of receptor binding characteristics of commonly used muscarinic antagonists in human bladder detrusor and mucosa. J Pharmacol Exp Ther. 2009 Mar;328(3):893-9. doi: 10.1124/jpet.108.145508. Epub 2008 Nov 24."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; Urological Agents; Cytochrome P-450 Substrates; Genitourinary Agents; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Urologicals; Benzene Derivatives; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP3A4 Substrates; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C					21178	99443256	D07226	PA165958376			Fesoterodine	CHEMBL1201764	797195
DB06706	Isometheptene	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	15094323; 3129549	"Valdivia LF, Centurion D, Perusquia M, Arulmani U, Saxena PR, Villalon CM: Pharmacological analysis of the mechanisms involved in the tachycardic and vasopressor responses to the antimigraine agent, isometheptene, in pithed rats. Life Sci. 2004 May 14;74(26):3223-34.@@Parker EM, Cubeddu LX: Comparative effects of amphetamine, phenylethylamine and related drugs on dopamine efflux, dopamine uptake and mazindol binding. J Pharmacol Exp Ther. 1988 Apr;245(1):199-210."	Approved	Dialkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Adrenergic Agonists; Amines; Drugs for Functional Gastrointestinal Disorders; Adrenergic alpha-Agonists; Methemoglobinemia Associated Agents; Agents that produce hypertension; Agents producing tachycardia; Adrenergic alpha-1 Receptor Agonists; Alimentary Tract and Metabolism	CNC(C)CCC=C(C)C						99443258		PA165958379			Isometheptene	CHEMBL1697841	27946
DB06709	Methacholine	BE0000045	CHRM3	P20309	ACM3_HUMAN	agonist	20888332; 20347047; 19951374; 19460789; 14993104; 12611815	"Liu PS, Chen YY, Feng CK, Lin YH, Yu TC: Muscarinic acetylcholine receptors present in human osteoblast and bone tissue. Eur J Pharmacol. 2011 Jan 10;650(1):34-40. doi: 10.1016/j.ejphar.2010.09.031. Epub 2010 Oct 1.@@Fernandez-Rodriguez S, Broadley KJ, Ford WR, Kidd EJ: Increased muscarinic receptor activity of airway smooth muscle isolated from a mouse model of allergic asthma. Pulm Pharmacol Ther. 2010 Aug;23(4):300-7. doi: 10.1016/j.pupt.2010.03.001. Epub  2010 Mar 25.@@Liu T, Xie C, Chen X, Zhao F, Liu AM, Cho DB, Chong J, Yang PC: Role of muscarinic receptor activation in regulating immune cell activity in nasal mucosa. Allergy. 2010 Aug;65(8):969-77. doi: 10.1111/j.1398-9995.2009.02281.x. Epub 2009  Nov 27.@@Gosens R, Rieks D, Meurs H, Ninaber DK, Rabe KF, Nanninga J, Kolahian S, Halayko AJ, Hiemstra PS, Zuyderduyn S: Muscarinic M3 receptor stimulation increases cigarette smoke-induced IL-8 secretion by human airway smooth muscle cells. Eur Respir J. 2009 Dec;34(6):1436-43. doi: 10.1183/09031936.00045209. Epub 2009 May 21.@@Gosens R, Bromhaar MM, Tonkes A, Schaafsma D, Zaagsma J, Nelemans SA, Meurs H: Muscarinic M(3) receptor-dependent regulation of airway smooth muscle contractile phenotype. Br J Pharmacol. 2004 Mar;141(6):943-50. doi: 10.1038/sj.bjp.0705709. Epub 2004 Mar 1.@@Borchers MT, Biechele T, Justice JP, Ansay T, Cormier S, Mancino V, Wilkie TM, Simon MI, Lee NA, Lee JJ: Methacholine-induced airway hyperresponsiveness is dependent on Galphaq signaling. Am J Physiol Lung Cell Mol Physiol. 2003 Jul;285(1):L114-20. doi: 10.1152/ajplung.00322.2002. Epub 2003 Feb 28."	Approved; Investigational	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds	CC(C[N+](C)(C)C)OC(C)=O					9543	99443261		PA165958382			Methacholine	CHEMBL978	155080
DB06709	Methacholine	BE0000560	CHRM2	P08172	ACM2_HUMAN	agonist	23691511	"Castro JM, Resende RR, Mirotti L, Florsheim E, Albuquerque LL, Lino-dos-Santos-Franco A, Gomes E, de Lima WT, de Franco M, Ribeiro OG, Russo M: Role of m2 muscarinic receptor in the airway response to methacholine of mice selected for minimal or maximal acute inflammatory response. Biomed Res Int. 2013;2013:805627. doi: 10.1155/2013/805627. Epub 2013 Apr 18."	Approved; Investigational	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds	CC(C[N+](C)(C)C)OC(C)=O					9543	99443261		PA165958382			Methacholine	CHEMBL978	155080
DB06709	Methacholine	BE0000247	CHRM5	P08912	ACM5_HUMAN	agonist	21091801	"Gonzalez JC, Albinana E, Baldelli P, Garcia AG, Hernandez-Guijo JM: Presynaptic muscarinic receptor subtypes involved in the enhancement of spontaneous GABAergic postsynaptic currents in hippocampal neurons. Eur J Neurosci. 2011 Jan;33(1):69-81. doi: 10.1111/j.1460-9568.2010.07475.x. Epub 2010 Nov 23."	Approved; Investigational	Tetraalkylammonium salts	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	Nitrogen Compounds; Quaternary Ammonium Compounds; Amines; Trimethyl Ammonium Compounds; Miotics; Cholinergic Agents; Autonomic Agents; Methacholine Compounds; Parasympathomimetics; Muscarinic Agonists; Other Diagnostics; Cholinergic Receptor Agonist; Diagnostic Agents; Bronchoconstrictor Agents; Onium Compounds; Respiratory System Agents; Peripheral Nervous System Agents; Cholinergic Agonists; Neurotransmitter Agents; Ammonium Compounds	CC(C[N+](C)(C)C)OC(C)=O					9543	99443261		PA165958382			Methacholine	CHEMBL978	155080
DB06710	Methyltestosterone	BE0000123	ESR1	P03372	ESR1_HUMAN		25012808	"Huang R, Sakamuru S, Martin MT, Reif DM, Judson RS, Houck KA, Casey W, Hsieh JH, Shockley KR, Ceger P, Fostel J, Witt KL, Tong W, Rotroff DM, Zhao T, Shinn P, Simeonov A, Dix DJ, Austin CP, Kavlock RJ, Tice RR, Xia M: Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway. Sci Rep. 2014 Jul 11;4:5664. doi: 10.1038/srep05664."	Approved	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; 3-Oxoandrosten (4) Derivatives; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Androgens and Estrogens; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Antineoplastic Agents, Hormonal; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7497	99443262	D00408	PA165958383			Methyltestosterone	CHEMBL1395	6904
DB06711	Naphazoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	10481510; 16083326; 8930173; 10381812; 10459292; 11180982	"Bogacka E: [Decongestants in treatment of nasal obstruction]. Otolaryngol Pol. 1999;53(3):347-52.@@Leonardi A: Emerging drugs for ocular allergy. Expert Opin Emerg Drugs. 2005 Aug;10(3):505-20.@@Piletz JE, Zhu H, Chikkala DN: Comparison of ligand binding affinities at human I1-imidazoline binding sites and the high affinity state of alpha-2 adrenoceptor subtypes. J Pharmacol Exp Ther. 1996 Nov;279(2):694-702.@@Hrometz SL, Edelmann SE, McCune DF, Olges JR, Hadley RW, Perez DM, Piascik MT: Expression of multiple alpha1-adrenoceptors on vascular smooth muscle: correlation with the regulation of contraction. J Pharmacol Exp Ther. 1999 Jul;290(1):452-63.@@Kai T: [Effects of topical alpha 1- and beta 2-adrenoceptor stimulants on nasal nitric oxide level]. Nihon Jibiinkoka Gakkai Kaiho. 1999 Jul;102(7):898-906.@@Ogidigben MJ, Chu TC, Potter DE: Naphazoline-induced suppression of aqueous humor pressure and flow: involvement of central and peripheral alpha(2)/I(1) receptors. Exp Eye Res. 2001 Mar;72(3):331-9."	Approved; Investigational	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	"Adrenergic alpha-Agonists; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Nasal Decongestants; Sympathomimetics Used as Decongestants; Cardiovascular Agents; Adrenergic Agents; Imidazoles; Vasoconstrictor Agents; Nasal Preparations; Adrenergic Agonists; Agents that produce hypertension; Respiratory System Agents; Adrenergic alpha-1 Receptor Agonists; Ophthalmologicals; Decongestants and Antiallergics; Neurotransmitter Agents; Sympathomimetics, Plain; Sympathomimetics; Sensory Organs"	C(C1=NCCN1)C1=CC=CC2=CC=CC=C12					5642	99443263	D08253	PA165958384			Naphazoline	CHEMBL761	7247
DB06712	Nilvadipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	7898101; 9846638	"Rosenthal J: Nilvadipine: profile of a new calcium antagonist. An overview. J Cardiovasc Pharmacol. 1994;24 Suppl 2:S92-107.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN	inhibitor	16484345; 11752352; 20933604	"Li GR, Deng XL, Sun H, Chung SS, Tse HF, Lau CP: Ion channels in mesenchymal stem cells from rat bone marrow. Stem Cells. 2006 Jun;24(6):1519-28. Epub 2006 Feb 16.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Araie M, Mayama C: Use of calcium channel blockers for glaucoma. Prog Retin Eye Res. 2011 Jan;30(1):54-71. doi: 10.1016/j.preteyeres.2010.09.002.  Epub 2010 Oct 8."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0002354	CACNB2	Q08289	CACB2_HUMAN	inhibitor	7898101; 1283184; 20933604	"Rosenthal J: Nilvadipine: profile of a new calcium antagonist. An overview. J Cardiovasc Pharmacol. 1994;24 Suppl 2:S92-107.@@Honerjager P, Seibel K: Pharmacodynamics of nilvadipine, a new dihydropyridine-type calcium antagonist. J Cardiovasc Pharmacol. 1992;20 Suppl 6:S15-21.@@Araie M, Mayama C: Use of calcium channel blockers for glaucoma. Prog Retin Eye Res. 2011 Jan;30(1):54-71. doi: 10.1016/j.preteyeres.2010.09.002.  Epub 2010 Oct 8."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	inhibitor	19029287	"Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0003563	CACNA2D3	Q8IZS8	CA2D3_HUMAN	inhibitor	9249249; 10525060; 20097194; 11426839; 19634509; 10374627	"Furukawa T, Nukada T, Suzuki K, Fujita Y, Mori Y, Nishimura M, Yamanaka M: Voltage and pH dependent block of cloned N-type Ca2+ channels by amlodipine. Br J Pharmacol. 1997 Jul;121(6):1136-40.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Miyashita Y, Furukawa T, Kamegaya E, Yoshii M, Nukada T: A region of N-type Ca(2+) channel critical for blockade by the dihydropyridine amlodipine. Eur J Pharmacol. 2010 Apr 25;632(1-3):14-22. doi: 10.1016/j.ejphar.2010.01.006. Epub 2010 Jan 22.@@Murakami M, Nakagawasai O, Fujii S, Kameyama K, Murakami S, Hozumi S, Esashi A, Taniguchi R, Yanagisawa T, Tan-no K, Tadano T, Kitamura K, Kisara K: Antinociceptive action of amlodipine blocking N-type Ca2+ channels at the primary afferent neurons in mice. Eur J Pharmacol. 2001 May 11;419(2-3):175-81.@@Ogihara T, Kano T, Kakinuma C: Evaluation of the inhibitory effect of dihydropyridines on N-type calcium channel by virtual three-dimensional pharmacophore modeling. Arzneimittelforschung. 2009;59(6):283-8. doi: 10.1055/s-0031-1296398.@@Qu YL, Sugiyama K, Ohnuki T, Hattori K, Watanabe K, Nagatomo T: Comparison of binding affinities of omega-conotoxin and amlodipine to N-type Ca2+ channels in rat brain. Zhongguo Yao Li Xue Bao. 1998 Mar;19(2):97-100."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0009739	CACNA1C	O00305	CACB4_HUMAN	blocker	16398057	Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002.	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06712	Nilvadipine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	inhibitor	16398057	Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002.	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB06713	Norelgestromin	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	19962254; 1324557; 17107221; 7750291; 8384965	"Pasqualini JR: Breast cancer and steroid metabolizing enzymes: the role of progestogens. Maturitas. 2009 Dec;65 Suppl 1:S17-21. doi: 10.1016/j.maturitas.2009.11.006. Epub 2009 Dec 3.@@London RS, Chapdelaine A, Upmalis D, Olson W, Smith J: Comparative contraceptive efficacy and mechanism of action of the norgestimate-containing triphasic oral contraceptive. Acta Obstet Gynecol Scand Suppl. 1992;156:9-14.@@Graziottin A: A review of transdermal hormonal contraception : focus on the ethinylestradiol/norelgestromin contraceptive patch. Treat Endocrinol. 2006;5(6):359-65.@@Kuhnz W, Fritzemeier KH, Hegele-Hartung C, Krattenmacher R: Comparative progestational activity of norgestimate, levonorgestrel-oxime and levonorgestrel in the rat and binding of these compounds to the progesterone receptor. Contraception. 1995 Feb;51(2):131-9.@@Juchem M, Pollow K, Elger W, Hoffmann G, Mobus V: Receptor binding of norgestimate--a new orally active synthetic progestational compound. Contraception. 1993 Mar;47(3):283-94."	Approved; Investigational	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Amines; Cytochrome P-450 CYP3A Substrates; Hydroxylamines; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Pharmaceutical Preparations; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO					12172	99443265	D05205				Norelgestromin	CHEMBL1200807	326374
DB06716	Fospropofol	BE0002346	GABRB2	P47870	GBRB2_HUMAN	potentiator	16402123	Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81.	Approved; Illicit; Investigational	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Hypnotics and Sedatives; Phenols; Anesthetics; Benzene Derivatives"	CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O						99443268	D04257	PA165958389			Fospropofol	CHEMBL1201766	828682
DB06716	Fospropofol	BE0002345	GABRB3	P28472	GBRB3_HUMAN	potentiator	16402123	Franks NP: Molecular targets underlying general anaesthesia. Br J Pharmacol. 2006 Jan;147 Suppl 1:S72-81.	Approved; Illicit; Investigational	Cumenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Cumenes	"Anesthetics, General; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Hypnotics and Sedatives; Phenols; Anesthetics; Benzene Derivatives"	CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O						99443268	D04257	PA165958389			Fospropofol	CHEMBL1201766	828682
DB06719	Buserelin	BE0000134	LHCGR	P22888	LSHR_HUMAN		20053189	"Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x."	Approved; Investigational			"Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Proteins; Fertility Agents; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1					7345	347910362	D01831				Buserelin	CHEMBL2110824	1825
DB06719	Buserelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN		20053189	"Kirby RS, Fitzpatrick JM, Clarke N: Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. doi: 10.1111/j.1464-410X.2009.08924.x."	Approved; Investigational			"Pituitary Hormone-Releasing Hormones; Fertility Agents, Female; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Amino Acids, Peptides, and Proteins; Miscellaneous Therapeutic Agents; Nerve Tissue Proteins; Proteins; Fertility Agents; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1					7345	347910362	D01831				Buserelin	CHEMBL2110824	1825
DB06728	Aniline	BE0001091	KLK1	P06870	KLK1_HUMAN		11151026	"Sousa MO, Miranda TL, Costa EB, Bittar ER, Santoro MM, Figueiredo AF: Linear competitive inhibition of human tissue kallikrein by 4-aminobenzamidine and benzamidine and linear mixed inhibition by 4-nitroaniline and aniline. Braz J Med Biol Res. 2001 Jan;34(1):35-44."	Experimental	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Cytochrome P-450 CYP2E1 Substrates; Amines; Cytochrome P-450 Substrates; Noxae; Toxic Actions; Carcinogens	NC1=CC=CC=C1					524	99443274					Aniline	CHEMBL538	1441546
DB06730	Gestodene	BE0000557	PGR	P06401	PRGR_HUMAN	binder	15697108	"Benagiano G, Primiero FM, Farris M: Clinical profile of contraceptive progestins. Eur J Contracept Reprod Health Care. 2004 Sep;9(3):182-93."	Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Progestins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Contraceptive Agents, Hormonal; Cytochrome P-450 CYP3A7 Inhibitors; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Cytochrome P-450 CYP2C19 Inhibitors; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C						99443276		PA165958397			Gestodene	CHEMBL1213583	25734
DB06732	beta-Naphthoflavone	BE0000123	ESR1	P03372	ESR1_HUMAN		10620335	"Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74."	Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids"	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1						99443278					Beta-Naphthoflavone	CHEMBL26260	
DB06732	beta-Naphthoflavone	BE0008953	NR2F1	P10589	COT1_HUMAN		10620335	"Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74."	Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids"	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1						99443278					Beta-Naphthoflavone	CHEMBL26260	
DB06732	beta-Naphthoflavone	BE0003721	AHR	P35869	AHR_HUMAN	agonist	10620335; 1658599; 27286660	"Klinge CM, Kaur K, Swanson HI: The aryl hydrocarbon receptor interacts with estrogen receptor alpha and orphan receptors COUP-TFI and ERRalpha1. Arch Biochem Biophys. 2000 Jan 1;373(1):163-74.@@Gasiewicz TA, Rucci G: Alpha-naphthoflavone acts as an antagonist of 2,3,7, 8-tetrachlorodibenzo-p-dioxin by forming an inactive complex with the Ah receptor. Mol Pharmacol. 1991 Nov;40(5):607-12.@@Wei KL, Chen FY, Lin CY, Gao GL, Kao WY, Yeh CH, Chen CR, Huang HC, Tsai WR, Jong KJ, Li WJ, Su JG: Activation of aryl hydrocarbon receptor reduces carbendazim-induced cell death. Toxicol Appl Pharmacol. 2016 Sep 1;306:86-97. doi: 10.1016/j.taap.2016.06.004. Epub 2016 Jun 7."	Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids"	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1						99443278					Beta-Naphthoflavone	CHEMBL26260	
DB06732	beta-Naphthoflavone	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		19563207	"Shimada T, Tanaka K, Takenaka S, Foroozesh MK, Murayama N, Yamazaki H, Guengerich FP, Komori M: Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study. Chem Res Toxicol. 2009 Jul;22(7):1325-33. doi: 10.1021/tx900127s."	Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Chromones; Cytochrome P-450 Enzyme Inducers; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Benzoflavones; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Pyrans; Flavonoids"	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1						99443278					Beta-Naphthoflavone	CHEMBL26260	
DB06733	Bafilomycin A1	BE0003569	ATP6V1A	P38606	VATA_HUMAN	inhibitor	12689676	"Takami M, Suda K, Sahara T, Itoh K, Nagai K, Sasaki T, Udagawa N, Takahashi N: Involvement of vacuolar H+ -ATPase in incorporation of risedronate into osteoclasts. Bone. 2003 Apr;32(4):341-9."	Experimental	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	"Anti-Infective Agents; Enzyme Inhibitors; Antifungal Agents; Lactones; Polyketides; Proton-Translocating ATPases, antagonists & inhibitors"	CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C						347827783					Bafilomycin	CHEMBL290814	
DB06734	Bafilomycin B1	BE0003569	ATP6V1A	P38606	VATA_HUMAN	inhibitor	15638326	"Schuhmann T, Grond S: Biosynthetic investigations of the V-type ATPase inhibitors bafilomycin A1, B1 and concanamycin A. J Antibiot (Tokyo). 2004 Oct;57(10):655-61."	Experimental			Lactones; Polyketides	CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C						347910364							
DB06738	Ketobemidone	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	8153059	Christensen CB: The opioid receptor binding profiles of ketobemidone and morphine. Pharmacol Toxicol. 1993 Dec;73(6):344-5.	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Phenylpiperidine opioids; Cytochrome P-450 CYP2C8 Substrates; Excitatory Amino Acid Agents; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Excitatory Amino Acid Antagonists; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A4 Substrates; Isonipecotic Acids; Peripheral Nervous System Agents; Analgesics; Piperidines; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Neurotransmitter Agents; Nervous System; Opioids	CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1		Ketobemidone  Action Pathway	drug_action			175427088	D08100				Ketobemidone	CHEMBL47072	
DB06739	Seratrodast	BE0000759	TBXA2R	P21731	TA2R_HUMAN	antagonist	8950952	"Endo S, Akiyama K: [Thromboxane A2 receptor antagonist in asthma therapy]. Nihon Rinsho. 1996 Nov;54(11):3045-8."	Experimental	Dalbergiones	Organic compounds; Phenylpropanoids and polyketides; Neoflavonoids; Dalbergiones	"Sensory System Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Fatty Acids; Prostaglandin Antagonists; Cytochrome P-450 CYP2C19 Substrates; Quinones; Cytochrome P-450 CYP2A6 Inhibitors; Lipids; Analgesics, Non-Narcotic; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O						347827787	D01123				Seratrodast	CHEMBL70972	
DB06749	Ginsenoside Rb1	BE0003659	SLCO1B3	Q9NPD5	SO1B3_HUMAN	inhibitor	25297453	"Jiang R, Dong J, Li X, Du F, Jia W, Xu F, Wang F, Yang J, Niu W, Li C: Molecular mechanisms governing different pharmacokinetics of ginsenosides and potential for ginsenoside-perpetrated herb-drug interactions on OATP1B3. Br J Pharmacol. 2015 Feb;172(4):1059-73. doi: 10.1111/bph.12971. Epub 2015 Jan 20."	Nutraceutical			OATP1B3 inhibitors; Saponins; Glycosides; Panax; Carbohydrates; Triterpenes; Terpenes	[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O						99443285						CHEMBL501515	
DB06750	Ginsenoside Rg1	BE0003659	SLCO1B3	Q9NPD5	SO1B3_HUMAN		25297453	"Jiang R, Dong J, Li X, Du F, Jia W, Xu F, Wang F, Yang J, Niu W, Li C: Molecular mechanisms governing different pharmacokinetics of ginsenosides and potential for ginsenoside-perpetrated herb-drug interactions on OATP1B3. Br J Pharmacol. 2015 Feb;172(4):1059-73. doi: 10.1111/bph.12971. Epub 2015 Jan 20."	Nutraceutical	Triterpene saponins	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides	Saponins; Glycosides; Central Nervous System Agents; Panax; Carbohydrates; Triterpenes; Terpenes	CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O						99443286					Ginsenoside_Rg1	CHEMBL501637	
DB06751	Drotaverine	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	17502703; 12823389; 20554370	"Muravyov AV, Yakusevich VV, Chuchkanov FA, Maimistova AA, Bulaeva SV, Zaitsev LG: Hemorheological efficiency of drugs, targeting on intracellular phosphodiesterase activity: in vitro study. Clin Hemorheol Microcirc. 2007;36(4):327-34.@@Romics I, Molnar DL, Timberg G, Mrklic B, Jelakovic B, Koszegi G, Blasko G: The effect of drotaverine hydrochloride in acute colicky pain caused by renal and ureteric stones. BJU Int. 2003 Jul;92(1):92-6.@@Pareek A, Chandurkar NB, Patil RT, Agrawal SN, Uday RB, Tambe SG: Efficacy and safety of aceclofenac and drotaverine fixed-dose combination in the treatment of primary dysmenorrhoea: a double-blind, double-dummy, randomized comparative study with aceclofenac. Eur J Obstet Gynecol Reprod Biol. 2010 Sep;152(1):86-90. doi: 10.1016/j.ejogrb.2010.05.007. Epub 2010 Jun 15."	Approved; Investigational	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"Sensory System Agents; Autonomic Agents; Cardiovascular Agents; Alkaloids; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Isoquinolines; Peripheral Nervous System Agents; Analgesics; Parasympatholytics; Phosphodiesterase Inhibitors; Benzylisoquinolines; Phosphodiesterase 4 Inhibitors; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Opiate Alkaloids"	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1						99443287		PA165958398			Drotaverine	CHEMBL551978	23684
DB06751	Drotaverine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	12163106; 12823389; 27738091	"Tomoskozi Z, Finance O, Aranyi P: Drotaverine interacts with the L-type Ca(2+) channel in pregnant rat uterine membranes. Eur J Pharmacol. 2002 Aug 2;449(1-2):55-60.@@Romics I, Molnar DL, Timberg G, Mrklic B, Jelakovic B, Koszegi G, Blasko G: The effect of drotaverine hydrochloride in acute colicky pain caused by renal and ureteric stones. BJU Int. 2003 Jul;92(1):92-6.@@Patai Z, Guttman A, Mikus EG: Potential L-Type Voltage-Operated Calcium Channel Blocking Effect of Drotaverine on Functional Models. J Pharmacol Exp Ther. 2016 Dec;359(3):442-451. doi: 10.1124/jpet.116.237271. Epub 2016 Oct 13."	Approved; Investigational	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"Sensory System Agents; Autonomic Agents; Cardiovascular Agents; Alkaloids; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Papaverine and Derivatives; Isoquinolines; Peripheral Nervous System Agents; Analgesics; Parasympatholytics; Phosphodiesterase Inhibitors; Benzylisoquinolines; Phosphodiesterase 4 Inhibitors; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Opiate Alkaloids"	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1						99443287		PA165958398			Drotaverine	CHEMBL551978	23684
DB06757	Manganese	BE0000771	IDH3G	P51553	IDH3G_HUMAN		16737955	"Soundar S, O'hagan M, Fomulu KS, Colman RF: Identification of Mn2+-binding aspartates from alpha, beta, and gamma subunits of human NAD-dependent isocitrate dehydrogenase. J Biol Chem. 2006 Jul 28;281(30):21073-81. Epub 2006 May 31."	Approved; Nutraceutical	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements"	[Mn++]					2084	310264880	D04854				Manganese	CHEMBL2103742	6623
DB06757	Manganese	BE0000286	ARG1	P05089	ARGI1_HUMAN		18802628	"Zakharian TY, Di Costanzo L, Christianson DW: Synthesis of (2S)-2-amino-7,8-epoxyoctanoic acid and structure of its metal-bridging complex with human arginase I. Org Biomol Chem. 2008 Sep 21;6(18):3240-3. doi: 10.1039/b811797g. Epub 2008 Aug 6."	Approved; Nutraceutical	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Metals, Heavy; Electrolytes; Minerals; Magnetic Resonance Contrast Activity; Elements; Anions; Metals; Ions; Replacement Preparations; Diet, Food, and Nutrition; Paramagnetic Contrast Agent; Transition Elements; Food; Sulfur Acids; Micronutrients; Physiological Phenomena; Chlorine Compounds; Sulfur Compounds; Sulfuric Acids; Trace Elements"	[Mn++]					2084	310264880	D04854				Manganese	CHEMBL2103742	6623
DB06766	Alcaftadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	22035879	"Simons FE, Simons KJ: Histamine and H1-antihistamines: celebrating a century of progress. J Allergy Clin Immunol. 2011 Dec;128(6):1139-1150.e4. doi: 10.1016/j.jaci.2011.09.005. Epub 2011 Oct 27."	Approved	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines	"Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine Agents; Drugs that are Mainly Renally Excreted; Sensory Organs"	CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12		Alcaftadine H1-Antihistamine Action	drug_action			99443288	D06552	PA165958399			Alcaftadine	CHEMBL1201747	1000082
DB06773	Human calcitonin	BE0008968	ACTN1	P12814	ACTN1_HUMAN	incorporation into and destabilization	1483490	"Beglinger C, Born W, Muff R, Drewe J, Dreyfuss JL, Bock A, Mackay M, Fischer JA: Intracolonic bioavailability of human calcitonin in man. Eur J Clin Pharmacol. 1992;43(5):527-31."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Calcitonin Preparations; Bone Density Conservation Agents; Calcium Homeostasis"							347910370					Calcitonin		235481
DB06774	Capsaicin	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	21158551; 21852280; 10103088	"Wallace M, Pappagallo M: Qutenza(R): a capsaicin 8% patch for the management of postherpetic neuralgia. Expert Rev Neurother. 2011 Jan;11(1):15-27. doi: 10.1586/ern.10.182.@@Anand P, Bley K: Topical capsaicin for pain management: therapeutic potential and mechanisms of action of the new high-concentration capsaicin 8% patch. Br J Anaesth. 2011 Oct;107(4):490-502. doi: 10.1093/bja/aer260. Epub 2011 Aug 17.@@Guo A, Vulchanova L, Wang J, Li X, Elde R: Immunocytochemical localization of the vanilloid receptor 1 (VR1): relationship to neuropeptides, the P2X3 purinoceptor and IB4 binding sites. Eur J Neurosci. 1999 Mar;11(3):946-58. doi: 10.1046/j.1460-9568.1999.00503.x."	Approved	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Sensory System Agents; Capsaicin and Similar Agents; Polyunsaturated Alkamides; Basic Lotions and Liniments; Topical Products for Joint and Muscular Pain; Cytochrome P-450 CYP1A2 Inducers; Amides; Dermatologicals; Benzene Derivatives; TRPV1 Channel Agonists; Cytochrome P-450 Enzyme Inducers; Alkenes; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Alkaloids; Anesthetics; Cytochrome P-450 CYP3A Inhibitors; Solanaceous Alkaloids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Anesthetics, Local; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antipruritics; Lipids; Peripheral Nervous System Agents; Analgesics; Cholinesterase Inhibitors; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1					3610	347827793	D00250				Capsaicin	CHEMBL294199	1992
DB06775	Carglumic acid	BE0004671	CPS1	P31327	CPSM_HUMAN	allosteric modulator	18516804; 19106093; 21207059	"Authors unspecified: Carglumic acid: a second look. Confirmed progress in a rare urea cycle disorder. Prescrire Int. 2008 Apr;17(94):50-1.@@Hart EJ, Powers-Lee SG: Role of Cys-1327 and Cys-1337 in redox sensitivity and allosteric monitoring in human carbamoyl phosphate synthetase. J Biol Chem. 2009 Feb 27;284(9):5977-85. doi: 10.1074/jbc.M808702200. Epub 2008 Dec 23.@@Kasapkara CS, Ezgu FS, Okur I, Tumer L, Biberoglu G, Hasanoglu A: N-carbamylglutamate treatment for acute neonatal hyperammonemia in isovaleric acidemia. Eur J Pediatr. 2011 Jun;170(6):799-801. doi: 10.1007/s00431-010-1362-9. Epub 2011 Jan 5."	Approved	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Ammonia Detoxicants; Carbamoyl Phosphate Synthetase 1 Activators; Amino Acids and Derivatives; Amino Acids, Acidic; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Carbamoyl Phosphate Synthetase 1 Activator; Amino Acids, Dicarboxylic"	NC(=O)N[C@@H](CCC(O)=O)C(O)=O					22593	99443290	D07130	PA165958402			Carglumic_acid	CHEMBL1201780	401713
DB06777	Chenodeoxycholic acid	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	other	10334992; 20104269	"Makishima M, Okamoto AY, Repa JJ, Tu H, Learned RM, Luk A, Hull MV, Lustig KD, Mangelsdorf DJ, Shan B: Identification of a nuclear receptor for bile acids. Science. 1999 May 21;284(5418):1362-5.@@Xu Y, Watanabe T, Tanigawa T, Machida H, Okazaki H, Yamagami H, Watanabe K, Tominaga K, Fujiwara Y, Oshitani N, Arakawa T: Bile acids induce cdx2 expression through the farnesoid x receptor in gastric epithelial cells. J Clin Biochem Nutr. 2010 Jan;46(1):81-6. doi: 10.3164/jcbn.09-71. Epub 2009 Dec  29."	Approved	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Fused-Ring Compounds; Steroids; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; UGT2B7 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP3A Substrates; Cholanes; Bile Therapy; Gastrointestinal Agents; Bile and Liver Therapy; Alimentary Tract and Metabolism	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			99443291	D00163	PA165958403			Chenodeoxycholic_acid	CHEMBL240597	2323
DB06777	Chenodeoxycholic acid	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17963371	"Katona BW, Cummins CL, Ferguson AD, Li T, Schmidt DR, Mangelsdorf DJ, Covey DF: Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids. J Med Chem. 2007 Nov 29;50(24):6048-58. Epub 2007 Oct 27."	Approved	"Dihydroxy bile acids, alcohols and derivatives"	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Fused-Ring Compounds; Steroids; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; UGT2B7 Inhibitors; Bile Acids and Salts; Bile acids and derivatives; Bile Acid Preparations; Cholic Acids; Cytochrome P-450 CYP3A Substrates; Cholanes; Bile Therapy; Gastrointestinal Agents; Bile and Liver Therapy; Alimentary Tract and Metabolism	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O		Congenital Bile Acid Synthesis Defect Type II; Familial Hypercholanemia (FHCA); Bile Acid Biosynthesis; Zellweger Syndrome; Congenital Bile Acid Synthesis Defect Type III; 27-Hydroxylase Deficiency; Cerebrotendinous Xanthomatosis (CTX)	disease; metabolic			99443291	D00163	PA165958403			Chenodeoxycholic_acid	CHEMBL240597	2323
DB06779	Dalteparin	BE0001159	SELP	P16109	LYAM3_HUMAN	inhibitor	11044537	"Rey E, Rivard GE: Prophylaxis and treatment of thromboembolic diseases during pregnancy with dalteparin. Int J Gynaecol Obstet. 2000 Oct;71(1):19-24."	Approved			Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents						269	347910371	D03353				Dalteparin_sodium		67109
DB06780	Desoxycorticosterone acetate	BE0000668	NR3C2	P08235	MCR_HUMAN	agonist	17132855	"Lu NZ, Wardell SE, Burnstein KL, Defranco D, Fuller PJ, Giguere V, Hochberg RB, McKay L, Renoir JM, Weigel NL, Wilson EM, McDonnell DP, Cidlowski JA: International Union of Pharmacology. LXV. The pharmacology and classification of the nuclear receptor superfamily: glucocorticoid, mineralocorticoid, progesterone, and androgen receptors. Pharmacol Rev. 2006 Dec;58(4):782-97. doi: 10.1124/pr.58.4.9."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Pregnenes; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnenediones; Desoxycorticosterone; Mineralocorticoids; Cytochrome P-450 CYP3A Substrates; Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D03698				Desoxycorticosterone_acetate	CHEMBL1200542	258333
DB06781	Difluprednate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19668594; 20509750	"Jamal KN, Callanan DG: The role of difluprednate ophthalmic emulsion in clinical practice. Clin Ophthalmol. 2009;3:381-90. Epub 2009 Jun 29.@@Tajika T, Takahashi H, Sakai Y, Fujii H, Isowaki A, Sakaki H: Metabolic profiles of difluprednate in rabbit ocular tissues after instillation of difluprednate ophthalmic emulsion. Xenobiotica. 2010 Aug;40(8):569-77. doi: 10.3109/00498254.2010.490308."	Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Steroids, Fluorinated; Immunosuppressive Agents; Corticosteroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Corticosteroids, Potent (Group III); Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnadienetriols; Pregnanes; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					22159	99443292	D01266	PA165958405			Difluprednate	CHEMBL1201749	23043
DB06782	Dimercaprol	BE0003392	APP	P05067	A4_HUMAN		15681799	"Venti A, Giordano T, Eder P, Bush AI, Lahiri DK, Greig NH, Rogers JT: The integrated role of desferrioxamine and phenserine targeted to an iron-responsive element in the APP-mRNA 5'-untranslated region. Ann N Y Acad Sci. 2004 Dec;1035:34-48."	Approved	Alkylthiols	Organic compounds; Organosulfur compounds; Thiols; Alkylthiols	"Antidotes; Chelating Agents; Metal Chelator; Sequestering Agents; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Metal Chelating Activity; Heavy Metal Antagonists; Sulfhydryl Compounds; Compounds used in a research, industrial, or household setting"	OCC(S)CS					5643	99443293	D00167	PA165958406			Dimercaprol	CHEMBL1597	3445
DB06785	Ganirelix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	10655292	"Oberye J, Mannaerts B, Huisman J, Timmer C: Local tolerance, pharmacokinetics, and dynamics of ganirelix (Orgalutran) administration by Medi-Jector compared to conventional needle injections. Hum Reprod. 2000 Feb;15(2):245-9."	Approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Anti-Gonadotropin-Releasing Hormones; Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists; Amino Acids, Peptides, and Proteins; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Gonadotropin-Releasing Hormone, antagonists & inhibitors; Gonadotropin Releasing Hormone Receptor Antagonists; Nerve Tissue Proteins; Proteins; Hormones; Oligopeptides; Neuropeptides; Peptides; Peptide Hormones; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O					12713	310264884	D08010				Ganirelix	CHEMBL1251	35825
DB06786	Halcinonide	BE0004659	SMO	Q99835	SMO_HUMAN	agonist	26658258	"Porcu G, Serone E, De Nardis V, Di Giandomenico D, Lucisano G, Scardapane M, Poma A, Ragnini-Wilson A: Clobetasol and Halcinonide Act as Smoothened Agonists to Promote Myelin Gene Expression and RxRgamma Receptor Activation. PLoS One. 2015 Dec 10;10(12):e0144550. doi: 10.1371/journal.pone.0144550. eCollection 2015."	Approved; Investigational; Withdrawn	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Immunosuppressive Agents; Corticosteroids; Pregnenes; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Pregnenediones; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Corticosteroids, Very Potent (Group IV); Corticosteroid Hormone Receptor Agonists; Dermatologicals; Cytochrome P-450 CYP3A4 Substrates; Steroids; Pregnanes"	[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7506	347827796	D01308				Halcinonide	CHEMBL1200845	5084
DB06787	Hexocyclium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	8075869	"Waelbroeck M, Camus J, Tastenoy M, Feifel R, Mutschler E, Tacke R, Strohmann C, Rafeiner K, Rodrigues de Miranda JF, Lambrecht G: Binding and functional properties of hexocyclium and sila-hexocyclium derivatives to muscarinic receptor subtypes. Br J Pharmacol. 1994 Jun;112(2):505-14."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Agents producing tachycardia; Alimentary Tract and Metabolism"	C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1						310264885					Hexocyclium	CHEMBL1201325	26867
DB06787	Hexocyclium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	8075869	"Waelbroeck M, Camus J, Tastenoy M, Feifel R, Mutschler E, Tacke R, Strohmann C, Rafeiner K, Rodrigues de Miranda JF, Lambrecht G: Binding and functional properties of hexocyclium and sila-hexocyclium derivatives to muscarinic receptor subtypes. Br J Pharmacol. 1994 Jun;112(2):505-14."	Approved	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Agents producing tachycardia; Alimentary Tract and Metabolism"	C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1						310264885					Hexocyclium	CHEMBL1201325	26867
DB06788	Histrelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist			Approved; Withdrawn	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Proteins; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1					18561	347827797	D02369				Histrelin	CHEMBL1201255	50975
DB06789	Hydroxyprogesterone caproate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	26558340	"O'Brien JM, Lewis DF: Prevention of preterm birth with vaginal progesterone or 17-alpha-hydroxyprogesterone caproate: a critical examination of efficacy and safety. Am J Obstet Gynecol. 2016 Jan;214(1):45-56. doi: 10.1016/j.ajog.2015.10.934. Epub 2015 Nov 10."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Progesterone Congeners; Pregnenes; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Progestins; Cytochrome P-450 Enzyme Inducers; Hydroxyprogesterones; Progesterone and Derivatives; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Steroids; Estrogen Antagonists; Antineoplastic Agents; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inducers; Gonadal Steroid Hormones; Pregnenediones; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C						310264886	D00949				Hydroxyprogesterone_caproate	CHEMBL1200848	12488
DB06791	Lanreotide	BE0003528	SSTR2	P30874	SSR2_HUMAN	agonist	26416534	"Buil-Bruna N, Garrido MJ, Dehez M, Manon A, Nguyen TX, Gomez-Panzani EL, Troconiz IF: Population Pharmacokinetic Analysis of Lanreotide Autogel((R))/Depot in the Treatment of Neuroendocrine Tumors: Pooled Analysis of Four Clinical Trials. Clin Pharmacokinet. 2016 Apr;55(4):461-73. doi: 10.1007/s40262-015-0329-4."	Approved	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Hormones; Acromegaly; Somatostatin Receptor Agonists; Neuropeptides; Peptides; Pancreatic Hormones; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Hypoglycemia-Associated Agents; Hypothalamic Hormones; Bradycardia-Causing Agents; Other Miscellaneous Therapeutic Agents; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H]N([H])CCCCC1N([H])C(=O)C(CC2=CN([H])C3=CC=CC=C23)N([H])C(=O)C(CC2=CC=C(O)C=C2)N([H])C(=O)C(CSSCC(N([H])C(=O)C(N([H])C1=O)C(C)C)C(=O)N([H])C(C(C)O)C(=O)N([H])[H])N([H])C(=O)C(CC1=CC2=CC=CC=C2C=C1)N([H])[H]					19728	310264887	D04666				Lanreotide	CHEMBL1201185	68092
DB06795	Mafenide	BE0003628	CA6	P23280	CAH6_HUMAN	antagonist	22974493	"Demirdag R, Comakli V, Senturk M, Ekinci D, Irfan Kufrevioglu O, Supuran CT: Purification and characterization of carbonic anhydrase from sheep kidney and effects of sulfonamides on enzyme activity. Bioorg Med Chem. 2013 Mar 15;21(6):1522-5. doi: 10.1016/j.bmc.2012.08.018. Epub 2012 Aug 24."	Approved; Vet_approved; Withdrawn	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	"Anti-Infective Agents; Sulfones; Enzyme Inhibitors; Sulfonamides; Benzenesulfonamides; Anti-Bacterial Agents; Folic Acid Antagonists; Benzene Derivatives; Amides; Dermatologicals; Anti-Infective Agents, Local; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Methemoglobinemia Associated Agents; Sulfonamide Antibacterial"	NCC1=CC=C(C=C1)S(N)(=O)=O					11904	310264891	D02351				Mafenide	CHEMBL419	6572
DB06800	Methylnaltrexone	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist	17504835	Yuan CS: Methylnaltrexone mechanisms of action and effects on opioid bowel dysfunction and other opioid adverse effects. Ann Pharmacother. 2007 Jun;41(6):984-93. Epub 2007 May 15.	Approved	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Nitrogen Compounds; Sensory System Agents; Amines; Opioid Antagonists; Alkaloids; Miscellaneous GI Drugs; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Heterocyclic Compounds, Fused-Ring; Onium Compounds; Peripheral Opioid Receptor Antagonists; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Ammonium Compounds; Opiate Alkaloids; Opioids; Drugs for Constipation"	C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35					20208	175427092	D06618				Methylnaltrexone	CHEMBL1186579	29899
DB06813	Pralatrexate	BE0000330	DHFR	P00374	DYR_HUMAN	substrate	23409799	"Shimanovsky A, Dasanu CA: Pralatrexate : evaluation of clinical efficacy and toxicity in T-cell lymphoma. Expert Opin Pharmacother. 2013 Mar;14(4):515-23. doi: 10.1517/14656566.2013.770474. Epub 2013 Feb 14."	Approved; Investigational	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"BCRP/ABCG2 Substrates; Immunosuppressive Agents; Pteridines; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Folic Acid Analogues; OATP1B3 substrates; Antimetabolites; Folic Acid Antagonists; Narrow Therapeutic Index Drugs; Drugs that are Mainly Renally Excreted; Pterins; Antineoplastic Agents"	NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1					23006	175427094	D05589				Pralatrexate	CHEMBL1201746	662019
DB06819	Phenylbutyric acid	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	16391874; 12678732; 16000590; 24891937; 30562925	"Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Munshi A, Kurland JF, Nishikawa T, Tanaka T, Hobbs ML, Tucker SL, Ismail S, Stevens C, Meyn RE: Histone deacetylase inhibitors radiosensitize human melanoma cells by suppressing DNA repair activity. Clin Cancer Res. 2005 Jul 1;11(13):4912-22. doi: 10.1158/1078-0432.CCR-04-2088.@@Ladiges W: The quality control theory of aging. Pathobiol Aging Age Relat Dis. 2014 May 23;4. pii: 24835. doi: 10.3402/pba.v4.24835. eCollection 2014.@@Chang MC, Chen YJ, Lian YC, Chang BE, Huang CC, Huang WL, Pan YH, Jeng JH: Butyrate Stimulates Histone H3 Acetylation, 8-Isoprostane Production, RANKL Expression, and Regulated Osteoprotegerin Expression/Secretion in MG-63 Osteoblastic Cells. Int J Mol Sci. 2018 Dec 17;19(12). pii: ijms19124071. doi: 10.3390/ijms19124071."	Approved; Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Urea Cycle Disorder Agents; Cytochrome P-450 CYP2D6 Inhibitors; Nitrogen Binding Agent; Acids, Carbocyclic; Cytochrome P-450 Enzyme Inhibitors; Ammonium Ion Binding Activity; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Various Alimentary Tract and Metabolism Products; Alimentary Tract and Metabolism; Antineoplastic Agents"	OC(=O)CCCC1=CC=CC=C1					22565	310264895	D05868				Sodium_phenylbutyrate	CHEMBL1469	1546447
DB06822	Tinzaparin	BE0000590	ITGA4	P13612	ITA4_HUMAN	inhibitor	19888514	"Schlesinger M, Simonis D, Schmitz P, Fritzsche J, Bendas G: Binding between heparin and the integrin VLA-4. Thromb Haemost. 2009 Nov;102(5):816-22. doi: 10.1160/TH09-01-0061."	Approved			Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents						619	347910373	D06398				Tinzaparin_sodium		104466
DB06825	Triptorelin	BE0000203	GNRHR	P30968	GNRHR_HUMAN	agonist			Approved; Vet_approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Pituitary Hormone-Releasing Hormones; Gonadotropin-releasing hormone agonist; QTc Prolonging Agents; Hyperglycemia-Associated Agents; Gonadotropin Releasing Hormone Receptor Agonist; Amino Acids, Peptides, and Proteins; Luteolytic Agents; Nerve Tissue Proteins; Proteins; Antineoplastic Agents; Hormones; Potential QTc-Prolonging Agents; Adrenal Cortex Hormones; Oligopeptides; Gonadotropin Releasing Hormone Receptor Agonists; Neuropeptides; Peptides; Contraceptive Agents, Hormonal; Antineoplastic and Immunomodulating Agents; Peptide Hormones; Endocrine Therapy; Hormones and Related Agents; Hypothalamic Hormones; Antineoplastic Agents, Hormonal; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O					21395	310264898	D06247				Triptorelin	CHEMBL1201334	38782
DB06828	5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1						99443299							
DB06829	4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiophene carboxylic acids	Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives		OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O						99443300						CHEMBL243940	
DB06831	2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE	BE0002406	PIK3CD	O00329	PK3CD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1						99443302						CHEMBL1213083	
DB06832	Prinaberel	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	"Receptors, Estrogen, agonists"	OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1						99443303					Prinaberel	CHEMBL450940	
DB06832	Prinaberel	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	"Receptors, Estrogen, agonists"	OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1						99443303					Prinaberel	CHEMBL450940	
DB06834	"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide"	BE0001316	SYK	P43405	KSYK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolecarboxamides and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives		CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO						99443305						CHEMBL1229525	
DB06836	"N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide"	BE0003729	PIK3C3	Q8NEB9	PK3C3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		[H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O						99443307						CHEMBL1229535	
DB06837	"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide"	BE0003730	ADAMTS5	Q9UNA0	ATS5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		[H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2						99443308						CHEMBL8943	
DB06842	(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one	BE0001133	PDE4A	P27815	PDE4A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles		[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1						99443313						CHEMBL1229585	
DB06842	(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles		[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1						99443313						CHEMBL1229585	
DB06843	"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE"	BE0003731	GNAS	P63092	GNAS2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ribonucleoside 3'-phosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates"		[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						99443314							
DB06843	"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE"	BE0003732	ADCY2	Q08462	ADCY2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ribonucleoside 3'-phosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates"		[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						99443314							
DB06843	"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE"	BE0003733	ADCY5	O95622	ADCY5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ribonucleoside 3'-phosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates"		[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N						99443314							
DB06851	N-(pyridin-3-ylmethyl)aniline	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		C(NC1=CC=CC=C1)C1=CC=CN=C1						99443322						CHEMBL264669	
DB06852	CHIR-124	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroquinolones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives	"Heterocyclic Compounds, Fused-Ring"	ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1						99443323						CHEMBL377312	
DB06871	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12						99443342							
DB06871	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12						99443342							
DB06875	ERB-196	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes	"Estrogen Receptor beta, agonists; Naphthalenes"	OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1						99443346					ERB-196	CHEMBL192154	
DB06875	ERB-196	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes	"Estrogen Receptor beta, agonists; Naphthalenes"	OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1						99443346					ERB-196	CHEMBL192154	
DB06876	"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1						99443347							
DB06877	"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE"	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1						99443348						CHEMBL219841	
DB06882	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1						99443353						CHEMBL522387	
DB06884	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1						99443355							
DB06884	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	BE0003742	NRIP1	P48552	NRIP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1						99443355							
DB06887	"[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C						99443358						CHEMBL203517	
DB06892	"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide"	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Iodobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		[H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1						99443363							
DB06894	1-Dodecanol	BE0002194	FAAH	O00519	FAAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty alcohols	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols	Lipids; Alcohols; Fatty Alcohols	CCCCCCCCCCCCO						99443365						CHEMBL24722	1362875
DB06896	"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide"	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O						99443367						CHEMBL509101	
DB06898	"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1						99443369							
DB06898	"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1						99443369							
DB06899	"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines		CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1						99443370							
DB06902	p-Cumylphenol	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Benzene Derivatives	CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1						99443373						CHEMBL194805	
DB06905	"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid"	BE0003749	PPP2R5C	Q13362	2A5G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC						99443376							
DB06905	"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid"	BE0002326	PPP2CA	P67775	PP2AA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC						99443376							
DB06905	"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid"	BE0003750	PPP2R1A	P30153	2AAA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC						99443376							
DB06908	"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O						99443379							
DB06908	"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O						99443379							
DB06909	"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide"	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines		CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1						99443380						CHEMBL521203	
DB06914	"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE"	BE0000735	HMOX1	P09601	HMOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines		ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1						99443385						CHEMBL495072	
DB06917	(4-fluorophenyl)(pyridin-4-yl)methanone	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1						99443388						CHEMBL563196	
DB06926	"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives		[H][C@](O)(CCCCC)\C=C\C=C/CCCCCCCC(O)=O						99443397						CHEMBL451721	
DB06927	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2						99443398						CHEMBL184151	
DB06927	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2						99443398						CHEMBL184151	
DB06927	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2						99443398						CHEMBL184151	
DB06928	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	BE0000568	FOLH1	Q04609	FOLH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Iodobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		[H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O						99443399							
DB06932	"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine"	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives		COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC						99443403						CHEMBL235157	
DB06933	N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines		CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1						99443404						CHEMBL250409	
DB06937	"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles		OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1						99443408						CHEMBL360410	
DB06938	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1						99443409						CHEMBL394826	
DB06940	"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C						99443411						CHEMBL252128	
DB06945	N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide	BE0003730	ADAMTS5	Q9UNA0	ATS5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1						99443416						CHEMBL1229868	
DB06953	2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N						99443424							
DB06953	2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N						99443424							
DB06956	"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1						99443427						CHEMBL200469	
DB06957	"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1						99443428						CHEMBL208239	
DB06958	"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O						99443429						CHEMBL207701	
DB06959	(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		[H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12						99443430							
DB06961	"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols		CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1						99443432						CHEMBL398346	
DB06964	"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols		CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1						99443435						CHEMBL252124	
DB06967	"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC						99443438							
DB06969	"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1						99443440						CHEMBL563327	
DB06972	"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile"	BE0000516	ITGAL	P20701	ITAL_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolizines	Organic compounds; Organoheterocyclic compounds; Pyrrolizines		ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O						99443443						CHEMBL232942	
DB06973	Bisphenol A	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bisphenols	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Air Pollutants, Occupational; Air Pollutants; Antioxidants; Estrogens, Non-Steroidal; Environmental Pollutants; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Estrogens; Free Radical Scavengers; Toxic Actions; Benzene Derivatives; Pyrans; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1						99443444					Bisphenol_A	CHEMBL418971	1433347
DB06979	"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid"	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl thioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CCCCCCCCCCCCSC1=C(N=NN1)C(O)=O						99443450							
DB06984	"(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol"	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H]N(CC1=CC=CC=C1)[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@]1([H])SC						99443455							
DB06986	"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2						99443457						CHEMBL386015	
DB06989	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID	BE0003769	PTPRB	P23467	PTPRB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Linear 1,3-diarylpropanoids"	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids"		COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC						99443460						CHEMBL379000	
DB06991	"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		[H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC						99443462						CHEMBL258202	
DB06992	"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1						99443463						CHEMBL406572	
DB06995	N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1						99443466						CHEMBL527066	
DB06997	"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide"	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1						99443468						CHEMBL503090	
DB06999	PLX-4720	BE0000634	BRAF	P15056	BRAF_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides"	CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(Cl)C=N3)=C1F						99443470						CHEMBL1230020	
DB07000	"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide"	BE0000634	BRAF	P15056	BRAF_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F						99443471							
DB07001	"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl aryl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CCC[C@H]1COC2=C(SC=C2)C(N)=N1						99443472						CHEMBL1230023	
DB07009	"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthols and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives		OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1						99443480						CHEMBL185918	
DB07009	"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthols and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives		OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1						99443480						CHEMBL185918	
DB07010	N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1						99443481						CHEMBL220320	
DB07010	N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1						99443481						CHEMBL220320	
DB07013	TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfonylanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO						99443484						CHEMBL236573	
DB07014	"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles		COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1						99443485						CHEMBL456218	
DB07017	"(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fluorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1						99443488						CHEMBL455907	
DB07020	"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide"	BE0003772	MAPK9	P45984	MK09_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-furanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1						99443491						CHEMBL1230051	
DB07025	3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroquinolones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives		NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1						99443496						CHEMBL221735	
DB07026	"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE"	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@]12CN(C[C@]([H])(O1)[C@@]([H])(O2)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NO						99443497							
DB07028	(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzylbenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=C(F)C=C(Br)C=C1						99443499							
DB07030	(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzylbenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O						99443501						CHEMBL241577	
DB07031	"3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid"	BE0000144	RARG	P13631	RARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydrocarbons, Acyclic; Cyclohexenes; Biological Factors; Alkenes; Cycloparaffins; Polyenes; Carotenoids; Cyclohexanes; Pigments, Biological; Terpenes"	CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O						99443502							
DB07032	2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2						99443503						CHEMBL367588	
DB07033	5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives		[H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O						99443504							
DB07034	"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fluorenes	Organic compounds; Benzenoids; Fluorenes		ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2						99443505							
DB07036	"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1						99443507						CHEMBL236720	
DB07037	(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitroquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Nitroquinolines and derivatives		[H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O						99443508							
DB07038	2-(cyclohexylamino)benzoic acid	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C1=CC=CC=C1NC1CCCCC1						99443509							
DB07046	"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide"	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl						99443517						CHEMBL573819	
DB07049	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O						99443520						CHEMBL427896	
DB07051	"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1						99443522							
DB07053	2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F						99443524						CHEMBL200495	
DB07056	"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1						99443527						CHEMBL495597	
DB07058	"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; Phenylbenzimidazoles		COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1						99443529							
DB07059	"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoxazinones	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones		CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1						99443530						CHEMBL240355	
DB07060	3-(INDOL-3-YL) LACTATE	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		[H][C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O						99443531							
DB07061	"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL"	BE0003780	NMT2	O60551	NMT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2						99443532						CHEMBL1230144	
DB07063	Lidorestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Heterocyclic Compounds, Fused-Ring; Aldehyde Reductase, antagonists & inhibitors; Sulfur Compounds; Indoles"	OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=CC=C2						99443534						CHEMBL363387	
DB07064	"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines		[H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1						99443535						CHEMBL205786	
DB07066	"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@]1(CC2=C(NC1=O)C=CC=C2)NC(=O)C1=CC2=C(N1)SC(Cl)=C2						99443537							
DB07068	"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID"	BE0003769	PTPRB	P23467	PTPRB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC						99443539							
DB07069	m-Hydroxyhippuric acid	BE0000392	KYNU	Q16719	KYNU_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hippuric acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Benzoates; Acids, Carbocyclic; Keto Acids; Benzamides and benzamide derivatives; Amides; Benzene Derivatives"	OC(=O)CNC(=O)C1=CC(O)=CC=C1						99443540						CHEMBL447627	
DB07070	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-benzylbenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O						99443541						CHEMBL202609	
DB07075	3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1						99443546						CHEMBL221181	
DB07078	"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols		COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2						99443549						CHEMBL202930	
DB07080	TO-901317	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated"	OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F						99443551						CHEMBL62136	
DB07080	TO-901317	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated"	OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F						99443551						CHEMBL62136	
DB07080	TO-901317	BE0000956	NR1I2	O75469	NR1I2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"Hydrocarbons, Halogenated; Sulfones; Sulfur Compounds; Amides; Benzene Derivatives; Sulfonamides; Hydrocarbons, Fluorinated"	OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F						99443551						CHEMBL62136	
DB07086	"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C						99443557						CHEMBL193676	
DB07086	"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C						99443557						CHEMBL193676	
DB07087	"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C						99443558							
DB07087	"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C						99443558							
DB07093	"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CN1C=CC(=O)N(CC2=NC3=CC(Cl)=CC=C3S2)C1=O						99443564						CHEMBL159820	
DB07094	"1-(2,2'-bithiophen-5-yl)methanamine"	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bi- and oligothiophenes	Organic compounds; Organoheterocyclic compounds; Bi- and oligothiophenes		NCC1=CC=C(S1)C1=CC=CS1						99443565						CHEMBL538940	
DB07096	"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE"	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives		NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23						99443567						CHEMBL338790	
DB07099	N-[4-(benzyloxy)phenyl]glycinamide	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1						99443570						CHEMBL479960	
DB07100	"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1						99443571						CHEMBL380888	
DB07101	Mirdametinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Aniline Compounds; Amines; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives"	[H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1						99443572						CHEMBL507361	
DB07102	(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glutamine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O						99443573						CHEMBL478381	
DB07104	4-amino-N-[4-(benzyloxy)phenyl]butanamide	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1						99443575						CHEMBL478718	
DB07106	SKF-91488	BE0002436	HNMT	P50135	HNMT_HUMAN	inhibitor	10592235; 18472930	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Tamaoki J, Chiyotani A, Tagaya E, Isono K, Konno K: Histamine N-methyltransferase Modulates Human Bronchial Smooth Muscle Contraction. Mediators Inflamm. 1994;3(2):125-9. doi: 10.1155/S0962935194000153."	Experimental	Isothioureas	Organic compounds; Organosulfur compounds; Isothioureas	"Histamine Agonists; Neurotransmitter Agents; Histamine N-Methyltransferase, antagonists & inhibitors; Sulfur Compounds; Histamine Agents; Amides; Thiourea"	CN(C)CCCCSC(N)=N						99443577					SKF-91488	CHEMBL1230270	
DB07107	(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		[H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2						99443578						CHEMBL383541	
DB07108	"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID"	BE0003510	BCL2L1	Q07817	B2CL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1						99443579						CHEMBL106708	
DB07111	"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Very long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		[H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC						99443582							
DB07112	N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1						99443583						CHEMBL509064	
DB07113	"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoxazinones	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones		[H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1						99443584							
DB07115	"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide"	BE0003633	CA13	Q8N1Q1	CAH13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O						99443586							
DB07119	1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes		OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1						99443590						CHEMBL364092	
DB07119	1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylnaphthalenes	Organic compounds; Benzenoids; Naphthalenes; Phenylnaphthalenes		OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1						99443590						CHEMBL364092	
DB07127	"{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID"	BE0003769	PTPRB	P23467	PTPRB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Linear 1,3-diarylpropanoids"	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids"		CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1						99443598							
DB07130	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiophene carboxylic acids	Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives		OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O						99443601						CHEMBL213758	
DB07132	1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives		[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O						99443603							
DB07134	"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1						99443605						CHEMBL394484	
DB07138	Neflamapimod	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235; 24900264	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Duffy JP, Harrington EM, Salituro FG, Cochran JE, Green J, Gao H, Bemis GW, Evindar G, Galullo VP, Ford PJ, Germann UA, Wilson KP, Bellon SF, Chen G, Taslimi P, Jones P, Huang C, Pazhanisamy S, Wang YM, Murcko MA, Su MS: The Discovery of VX-745: A Novel and Selective p38alpha Kinase Inhibitor. ACS Med Chem Lett. 2011 Jul 28;2(10):758-63. doi: 10.1021/ml2001455. eCollection  2011 Oct 13."	Investigational	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1						99443609						CHEMBL119385	
DB07139	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O						99443610							
DB07140	"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1						99443611						CHEMBL459177	
DB07141	"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1						99443612						CHEMBL575218	
DB07142	"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1						99443613						CHEMBL576960	
DB07144	"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C						99443615						CHEMBL573077	
DB07148	"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one"	BE0002148	PREP	P48147	PPCE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-acylpyrrolidines		[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1						99443619							
DB07149	"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines		[H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1						99443620						CHEMBL524266	
DB07150	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1						99443621						CHEMBL395308	
DB07150	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1						99443621						CHEMBL395308	
DB07152	N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinoxalines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1						99443623						CHEMBL519939	
DB07156	"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione"	BE0000858	IGF1R	P08069	IGF1R_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,3-isoquinolinediones"	"Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; 1,3-isoquinolinediones"		BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1						99443627						CHEMBL263143	
DB07158	"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroquinolones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives		CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2						99443629							
DB07159	Tamatinib	BE0001316	SYK	P43405	KSYK_HUMAN	inhibitor	10592235; 33689480	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10."	Experimental; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC						99443630					Fostamatinib	CHEMBL475251	
DB07160	"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoleucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O						99443631							
DB07161	5-phenyl-1H-indazol-3-amine	BE0002408	JAK2	O60674	JAK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1						99443632						CHEMBL500779	
DB07162	4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide	BE0002408	JAK2	O60674	JAK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1						99443633						CHEMBL480411	
DB07168	[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile	BE0003792	CAMK2B	Q13554	KCC2B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyl cyanides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyl cyanides		CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1						99443639							
DB07171	"5-(2-hydroxyethyl)nonane-1,9-diol"	BE0003793	ECE1	P42892	ECE1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fatty alcohols	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols		OCCCCC(CCO)CCCCO						99443642							
DB07172	"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroxyeicosapentaenoic acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids		[H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC						99443643							
DB07173	"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE"	BE0003540	ADK	P55263	ADK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glycosylamines	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						99443644						CHEMBL66280	
DB07174	"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoxazinones	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Benzoxazinones		CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1						99443645						CHEMBL400431	
DB07177	"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID"	BE0003795	PTGR1	Q14914	PTGR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O						99443648							
DB07177	"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID"	BE0003560	PTGR2	Q8N8N7	PTGR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O						99443648							
DB07180	"5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide"	BE0003796	NEK2	P51955	NEK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		[H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C						99443651							
DB07183	N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1						99443654						CHEMBL385178	
DB07187	CP-744809	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans		CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1						99443658						CHEMBL240725	
DB07194	"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide"	BE0001316	SYK	P43405	KSYK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiazolecarboxamides	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles		[H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1						99443665						CHEMBL512172	
DB07195	"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1						99443666							
DB07195	"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1						99443666							
DB07196	N-methyl-1-(2-thiophen-2-ylphenyl)methanamine	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		CNCC1=CC=CC=C1C1=CC=CS1						99443667						CHEMBL549343	
DB07197	4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiophene carboxylic acids	Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives		OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O						99443668						CHEMBL214502	
DB07198	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N						99443669						CHEMBL363498	
DB07198	5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-arylbenzofuran flavonoids	Organic compounds; Phenylpropanoids and polyketides; 2-arylbenzofuran flavonoids		OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N						99443669						CHEMBL363498	
DB07204	"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2						99443675						CHEMBL207496	
DB07208	"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives		[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O						99443679							
DB07209	"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives		[H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC						99443680							
DB07213	"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,2,3-triazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles		OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2						99443684						CHEMBL374713	
DB07215	GW-590735	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fatty Acids, Volatile; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids"	CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1						99443686						CHEMBL219586	
DB07215	GW-590735	BE0000071	PPARA	Q07869	PPARA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fatty Acids, Volatile; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids"	CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1						99443686						CHEMBL219586	
DB07216	"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE"	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines		[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1						99443687						CHEMBL372164	
DB07216	"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE"	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines		[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1						99443687						CHEMBL372164	
DB07217	"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1						99443688						CHEMBL234838	
DB07218	"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE"	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hydroquinolones	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives		CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O						99443689						CHEMBL207228	
DB07219	"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1						99443690							
DB07223	CA-074 methyl ester	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Cathepsin Inhibitors; Oligopeptides; Peptides; Cathepsin B, antagonists & inhibitors; Amino Acids, Peptides, and Proteins"	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC						99443694						CHEMBL262103	
DB07224	"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O						99443695							
DB07225	"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O						99443696							
DB07227	L-778123	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O						99443698						CHEMBL279433	
DB07227	L-778123	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O						99443698						CHEMBL279433	
DB07228	1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		[H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1						99443699							
DB07230	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes		OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O						99443701						CHEMBL190467	
DB07230	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes		OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O						99443701						CHEMBL190467	
DB07231	"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE"	BE0000939	CTSB	P07858	CATB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O						99443702							
DB07232	Veliparib	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Poly (ADP-ribose) polymerase (PARP) inhibitors; Antineoplastic Agents"	C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1						99443703		PA166131609			Veliparib	CHEMBL506871	
DB07234	"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminopyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives		[H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1						99443705						CHEMBL466496	
DB07236	3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthols and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives		OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2						99443707						CHEMBL187105	
DB07236	3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthols and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthols and derivatives		OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2						99443707						CHEMBL187105	
DB07237	{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones		[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1						99443708						CHEMBL561639	
DB07243	"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines		[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C						99443714							
DB07244	"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1						99443715						CHEMBL230153	
DB07244	"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1						99443715						CHEMBL230153	
DB07248	"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE"	BE0003090	PTK2	Q05397	FAK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"		COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC						99443719						CHEMBL205098	
DB07249	"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1						99443720						CHEMBL169186	
DB07250	"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles		COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC						99443721						CHEMBL256725	
DB07251	"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC						99443722						CHEMBL403673	
DB07252	"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1						99443723						CHEMBL257553	
DB07253	"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles		CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1						99443724						CHEMBL445162	
DB07254	"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1						99443725						CHEMBL496574	
DB07255	"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1						99443726						CHEMBL255874	
DB07256	"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE"	BE0002453	EPHB4	P54760	EPHB4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1						99443727						CHEMBL500724	
DB07258	(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers		[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1						99443729							
DB07259	1-(4-thiophen-2-ylphenyl)methanamine	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		NCC1=CC=C(C=C1)C1=CC=CS1						99443730						CHEMBL539640	
DB07260	N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1						99443731						CHEMBL570775	
DB07263	"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Retro-dihydrochalcones	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones"		[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1						99443734							
DB07264	(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1						99443735						CHEMBL387385	
DB07267	2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1						99443738						CHEMBL570533	
DB07268	2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1						99443739						CHEMBL242237	
DB07270	"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE"	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CC(N)=CC=C1						99443741						CHEMBL205792	
DB07272	"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE"	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes		CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N						99443743						CHEMBL382639	
DB07274	"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxamides	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1						99443745						CHEMBL272198	
DB07276	"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE"	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes		CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC						99443747						CHEMBL209740	
DB07280	5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE	BE0003540	ADK	P55263	ADK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dialkylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1						99443751						CHEMBL216697	
DB07288	N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide	BE0000029	FLT1	P17948	VGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1						99443759						CHEMBL101683	
DB07289	5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O						99443760						CHEMBL243731	
DB07292	"4-(2-amino-1,3-thiazol-4-yl)phenol"	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,4-disubstituted thiazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles		NC1=NC(=CS1)C1=CC=C(O)C=C1						99443763						CHEMBL483790	
DB07294	"3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid"	BE0000144	RARG	P13631	RARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O						99443765							
DB07295	2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acylaminobenzoic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12						99443766						CHEMBL305785	
DB07298	"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thienopyridines	Organic compounds; Organoheterocyclic compounds; Thienopyridines		OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O						99443769							
DB07300	"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine"	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthyridines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines		COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1						99443771						CHEMBL571159	
DB07302	9(S)-HODE	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Lineolic acids and derivatives	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives		CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O						99443773						CHEMBL1230670	
DB07307	N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives		CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1						99443778						CHEMBL492265	
DB07309	5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1						99443780						CHEMBL212522	
DB07310	"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fluorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes		C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1						99443781						CHEMBL218006	
DB07311	"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl aryl ethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1						99443782						CHEMBL223512	
DB07312	"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE"	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1						99443783						CHEMBL207095	
DB07313	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O						99443784						CHEMBL378927	
DB07314	"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl						99443785						CHEMBL207994	
DB07316	"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F						99443787						CHEMBL453620	
DB07317	(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		O=C1OCC\C1=C/NC1=CC=CC=C1						99443788						CHEMBL486921	
DB07319	"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br						99443790							
DB07320	"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		[H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O						99443791						CHEMBL242737	
DB07321	"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE"	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1						99443792						CHEMBL1230742	
DB07322	"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID"	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1						99443793						CHEMBL380394	
DB07323	"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID"	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O						99443794							
DB07324	"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminopyrimidines and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1						99443795							
DB07325	N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1						99443796							
DB07326	"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes		FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1						99443797						CHEMBL491429	
DB07330	A-620223	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1						99443801						CHEMBL452800	
DB07333	"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1						99443804							
DB07334	"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1						99443805						CHEMBL194176	
DB07336	4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols		COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1						99443807							
DB07340	Reversine	BE0003809	INCENP	Q9NQS7	INCE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Protein Kinase Inhibitors; Oxazines; Heterocyclic Compounds, Fused-Ring"	C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2						99443811					Reversine	CHEMBL188343	
DB07342	1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone	BE0000735	HMOX1	P09601	HMOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental			"Bridged-Ring Compounds; Heme Oxygenase-1, antagonists & inhibitors; Cycloparaffins"	[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CN1C=CN=C1						99443813							
DB07350	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl alkyl ketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1						99443821						CHEMBL12760	
DB07354	"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM"	BE0000971	TOP1	P11387	TOP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1						99443825							
DB07358	"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide"	BE0001056	GCK	P35557	HXK4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1						99443829						CHEMBL489514	
DB07359	"3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide"	BE0001056	GCK	P35557	HXK4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CN1C=NN=C1SC1=NC(C(=O)NC2=NC(C)=CS2)=C(SC2=CC=C(F)C=C2)C=C1						99443830						CHEMBL551043	
DB07369	"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide"	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1						99443840							
DB07374	Anisomycin	BE0003824	RPL13A	P40429	RL13A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O						99443845					Anisomycin	CHEMBL423192	
DB07374	Anisomycin	BE0003825	RPL23	P62829	RL23_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O						99443845					Anisomycin	CHEMBL423192	
DB07374	Anisomycin	BE0003827	RPL19	P84098	RL19_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O						99443845					Anisomycin	CHEMBL423192	
DB07374	Anisomycin	BE0003828	RPL23A	P62750	RL23A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O						99443845					Anisomycin	CHEMBL423192	
DB07377	"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE"	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1						99443848						CHEMBL352764	
DB07379	(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol	BE0002212	CDK6	Q00534	CDK6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C						99443850							
DB07382	"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine"	BE0003839	ERN1	O75460	ERN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1						99443853							
DB07384	1-ACETYL-2-CARBOXYPIPERIDINE	BE0003840	ATP5A1	P25705	ATPA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@]1(CCCCN1C(C)=O)C(O)=O						99443855							
DB07388	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Piperidinecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinecarboxylic acids and derivatives		CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1						99443859						CHEMBL420671	
DB07390	"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide"	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Thiazoles; Enzyme Inhibitors; Sulfur Compounds; Amides	CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC1=NNC(=S)S1						99443861						CHEMBL249847	
DB07393	"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE"	BE0000648	GSR	P00390	GSHR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives		C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1						99443864							
DB07394	AUROVERTIN B	BE0003840	ATP5A1	P25705	ATPA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Pyrans	[H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O						99443865							
DB07401	Azoxystrobin	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenyl-beta-methoxyacrylates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates	"Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic"	CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1						99443872					Azoxystrobin	CHEMBL230001	
DB07401	Azoxystrobin	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenyl-beta-methoxyacrylates	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenyl-beta-methoxyacrylates	"Acrylates; Fungicides, Industrial; Electron Transport Complex III; Methacrylates; Acids, Acyclic"	CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1						99443872					Azoxystrobin	CHEMBL230001	
DB07406	"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta carbolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles		[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C						99443877							
DB07425	Sobetirome	BE0000315	THRB	P10828	THB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids; Benzene Derivatives"	CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1						99443896						CHEMBL107400	
DB07430	"(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		[H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1						99443901						CHEMBL1231206	
DB07431	"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines		[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1						99443902						CHEMBL555205	
DB07435	"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE"	BE0003870	POLK	Q9UBT6	POLK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrenes	Organic compounds; Benzenoids; Pyrenes		[H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45						99443906							
DB07444	"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE"	BE0001776	DAPK1	P53355	DAPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1						99443915							
DB07446	N-(biphenyl-4-ylsulfonyl)-D-leucine	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](CC(C)C)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O						99443917							
DB07447	5beta-dihydrotestosterone	BE0003610	AKR1D1	P51857	AK1D1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	Testosterone and derivatives	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C		Aromatase Deficiency; Androgen and Estrogen Metabolism; 17-beta Hydroxysteroid Dehydrogenase III Deficiency	disease; metabolic			99443918						CHEMBL373357	
DB07448	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid	BE0003882	LAP3	P28838	AMPL_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O						99443919						CHEMBL393949	
DB07449	N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide	BE0001092	PADI4	Q9UM07	PADI4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hippuric acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		C\C(N)=N/CCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O						99443920							
DB07450	(R)-minalrestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzylisoquinolines	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Benzylisoquinolines		[H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1						99443921						CHEMBL292963	
DB07455	"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O						99443926							
DB07456	"3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione"	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12						99443927							
DB07457	"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE"	BE0001193	PDPK1	O15530	PDPK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2						99443928						CHEMBL270875	
DB07459	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1						99443930						CHEMBL199237	
DB07460	2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE	BE0003090	PTK2	Q05397	FAK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1						99443931						CHEMBL458997	
DB07462	"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE"	BE0002089	COMT	P21964	COMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones		OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O						99443933							
DB07468	"(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one"	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrroloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines		CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1						99443939							
DB07469	"(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one"	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrroloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines		CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1						99443940							
DB07470	"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one"	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrroloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Pyrroloquinolines		O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1						99443941							
DB07474	3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE	BE0000858	IGF1R	P08069	IGF1R_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1						99443945						CHEMBL397666	
DB07477	Felbinac	BE0002135	CTSL	P07711	CATL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	"Non COX-2 selective NSAIDS; Sensory System Agents; Musculo-Skeletal System; Anti-Inflammatory Agents, Non-Steroidal; Antiinflammatory Preparations, Non-Steroids for Topical Use; Agents causing hyperkalemia; Acids, Carbocyclic; Anti-Inflammatory Agents; Topical Products for Joint and Muscular Pain; Analgesics, Non-Narcotic; Nephrotoxic agents; Agents that produce hypertension; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics"	OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1						99443948		PA166049177			Felbinac	CHEMBL413965	262307
DB07479	"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL"	BE0000113	POLB	P06746	DPOLB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenanthrols	Organic compounds; Benzenoids; Phenanthrenes and derivatives; Phenanthrols		[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O						99443950							
DB07480	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1						99443951							
DB07485	Bisphenol Z	BE0002088	ESRRG	P62508	ERR3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cycloparaffins; Benzene Derivatives	OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1						99443956					Bisphenol_Z	CHEMBL1231453	
DB07486	"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline"	BE0000516	ITGAL	P20701	ITAL_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cinnamic acids and derivatives	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives		NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1						99443957						CHEMBL478464	
DB07495	"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O						99443966						CHEMBL365617	
DB07497	"5-(hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-yl)pentanal"	BE0000698	PC	P11498	PYC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biotin and derivatives	Organic compounds; Organoheterocyclic compounds; Biotin and derivatives		[H]N1C(=O)N([H])[C@]2([H])[C@H](CCCCC=O)SC[C@]12[H]						99443968							
DB07498	"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenyloxadiazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles		OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O						99443969							
DB07502	"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles		OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O						99443973						CHEMBL361078	
DB07506	L-BENZYLSUCCINIC ACID	BE0003968	SCPEP1	Q9HB40	RISC_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		[H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O						99443977						CHEMBL259621	
DB07509	difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12						99443980							
DB07512	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Coumarins and derivatives	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives		ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1						99443983						CHEMBL239508	
DB07513	7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Coumarins and derivatives	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives		CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2						99443984						CHEMBL239507	
DB07514	"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1						99443985						CHEMBL493986	
DB07520	"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1						99443991							
DB07525	"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine"	BE0002131	FGFR1	P11362	FGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines		COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1						99443996						CHEMBL1231606	
DB07528	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F						99443999						CHEMBL504805	
DB07530	"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Iridoids and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1						99444001							
DB07530	"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol"	BE0000779	VDR	P11473	VDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Iridoids and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1						99444001							
DB07537	"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1						99444008						CHEMBL487431	
DB07542	5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid	BE0000941	CTSD	P07339	CATD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Delta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([H])[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC(C)C)C(O)=O						99444013							
DB07544	N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE	BE0000517	BCAT1	P54687	BCAT1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1						99444015						CHEMBL1231666	
DB07546	[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid	BE0003984	CSNK2A2	P19784	CSK22_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1						99444017						CHEMBL1231683	
DB07556	CGS-27023	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Serine Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Amines; Enzyme Inhibitors; Hydroxy Acids; Sulfones; Hydroxylamines; Sulfur Compounds; Amides; Metalloendopeptidases, antagonists & inhibitors"	COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO						99444027						CHEMBL267178	
DB07556	CGS-27023	BE0000920	MMP1	P03956	MMP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Serine Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Amines; Enzyme Inhibitors; Hydroxy Acids; Sulfones; Hydroxylamines; Sulfur Compounds; Amides; Metalloendopeptidases, antagonists & inhibitors"	COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO						99444027						CHEMBL267178	
DB07557	"3,20-Pregnanedione"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids		[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C						99444028						CHEMBL486954	
DB07557	"3,20-Pregnanedione"	BE0000412	RXRA	P19793	RXRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids		[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C						99444028						CHEMBL486954	
DB07557	"3,20-Pregnanedione"	BE0003610	AKR1D1	P51857	AK1D1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids		[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C						99444028						CHEMBL486954	
DB07567	"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1						99444038						CHEMBL181936	
DB07574	"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE"	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tropones	Organic compounds; Hydrocarbon derivatives; Tropones		[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS						99444045							
DB07574	"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE"	BE0001388	TUBA1C	Q9BQE3	TBA1C_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tropones	Organic compounds; Hydrocarbon derivatives; Tropones		[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS						99444045							
DB07583	"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		[H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1						99444054							
DB07584	"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,2,4-triazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles		CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2						99444055						CHEMBL428963	
DB07585	"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Imidazopyridines	Organic compounds; Organoheterocyclic compounds; Imidazopyridines		ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2						99444056						CHEMBL259833	
DB07586	"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE"	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO						99444057							
DB07587	"N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N						99444058							
DB07589	"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1						99444060							
DB07594	CCT-018159	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Heterocyclic Compounds, Fused-Ring"	CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1						99444065						CHEMBL399530	
DB07597	"CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetralins	Organic compounds; Benzenoids; Tetralins		[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O						99444068						CHEMBL46085	
DB07598	"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoxazines	Organic compounds; Organoheterocyclic compounds; Benzoxazines		[H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1						99444069							
DB07601	"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzisoxazoles	Organic compounds; Organoheterocyclic compounds; Benzisoxazoles		OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2						99444072						CHEMBL404630	
DB07602	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE	BE0000767	EGFR	P00533	EGFR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O						99444073							
DB07607	4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1						99444078							
DB07608	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide	BE0004012	DYRK1A	Q13627	DYR1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1						99444079							
DB07609	"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE"	BE0003336	CYP2A6	P11509	CP2A6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		CN(C)CC1=CC=C(O1)C1=CC=CN=C1						99444080						CHEMBL360998	
DB07617	N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	BE0003336	CYP2A6	P11509	CP2A6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		CNCC1=CC=C(O1)C1=CC=CN=C1						99444088						CHEMBL178938	
DB07619	"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F						99444090						CHEMBL452587	
DB07621	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	BE0003336	CYP2A6	P11509	CP2A6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		NCC1=CC=C(O1)C1=CC=CN=C1						99444092						CHEMBL178090	
DB07623	"4,4'-DIPYRIDYL DISULFIDE"	BE0003336	CYP2A6	P11509	CP2A6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives	Anions; Hydrogen Sulfide; Ions; Sulfides; Sulfhydryl Reagents; Sulfur Compounds; Electrolytes	S(SC1=CC=NC=C1)C1=CC=NC=C1						99444094						CHEMBL1232076	
DB07624	"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		[H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F						99444095						CHEMBL460962	
DB07627	(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE	BE0003346	CAPN1	P07384	CAN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1						99444098							
DB07636	"5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione"	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O						99444107							
DB07638	"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1						99444109						CHEMBL236718	
DB07638	"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1						99444109						CHEMBL236718	
DB07647	"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles		[H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1						99444118							
DB07648	"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles		[H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1						99444119							
DB07651	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O						99444122						CHEMBL196526	
DB07652	"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE"	BE0003870	POLK	Q9UBT6	POLK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F						99444123							
DB07653	"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3-diphenylfurans"	Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans		OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1						99444124						CHEMBL363302	
DB07654	"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3-diphenylfurans"	Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans		CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1						99444125						CHEMBL364811	
DB07655	"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles		OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1						99444126						CHEMBL366312	
DB07662	PD-168393	BE0000767	EGFR	P00533	EGFR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring"	BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1						99444133						CHEMBL285063	
DB07664	K-00546	BE0004041	SLK	Q9H2G2	SLK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F						99444135						CHEMBL261720	
DB07664	K-00546	BE0004042	CAMK4	Q16566	KCC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F						99444135						CHEMBL261720	
DB07664	K-00546	BE0000435	ABL2	P42684	ABL2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F						99444135						CHEMBL261720	
DB07675	(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-substituted phenoxazines	Organic compounds; Organoheterocyclic compounds; Benzoxazines; Phenoxazines		[H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O						99444146						CHEMBL24038	
DB07676	"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O						99444147							
DB07676	"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one"	BE0004042	CAMK4	Q16566	KCC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O						99444147							
DB07678	"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1						99444149							
DB07678	"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1						99444149							
DB07681	DODECANESULFONATE ION	BE0002180	BCHE	P06276	CHLE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organosulfonic acids	Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives		CCCCCCCCCCCCS([O-])(=O)=O						99444152							
DB07683	"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine"	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Valine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](NS(=O)(=O)C1=CC2=C(C=C1)C1=CC=CC=C1S2)(C(C)C)C(O)=O						99444154							
DB07691	"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid"	BE0001007	PPARD	Q03181	PPARD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1						99444162						CHEMBL523395	
DB07700	"3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran"	BE0000592	AKR1C3	P42330	AK1C3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Steroids and steroid derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives		[H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O						99444171						CHEMBL521703	
DB07702	17alpha-Estriol	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3						99444173						CHEMBL1232445	
DB07705	(S)-econazole	BE0000875	CYP51A1	Q16850	CP51A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers		ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1						99444176							
DB07707	"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C						99444178							
DB07707	"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids		[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C						99444178							
DB07708	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl						99444179						CHEMBL180071	
DB07708	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl						99444179						CHEMBL180071	
DB07711	"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol"	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12						99444182						CHEMBL296435	
DB07712	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1						99444183						CHEMBL180517	
DB07712	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1						99444183						CHEMBL180517	
DB07714	"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID"	BE0000648	GSR	P00390	GSHR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthoquinones	Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones		CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O						99444185						CHEMBL135287	
DB07715	Emodin	BE0003721	AHR	P35869	AHR_HUMAN	agonist	14644660	"Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82."	Investigational	Hydroxyanthraquinones	Organic compounds; Benzenoids; Anthracenes; Anthraquinones	Plant Preparations; Biological Products; Quinones; Plant Extracts; Anthraquinones; Enzyme Inhibitors; Laxatives; Anthracenes; Gastrointestinal Agents; Protein Kinase Inhibitors	CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1						99444186					Emodin	CHEMBL289277	
DB07719	"[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O						99444190							
DB07720	Epibatidine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		21703337	"Niessen KV, Tattersall JE, Timperley CM, Bird M, Green C, Seeger T, Thiermann H, Worek F: Interaction of bispyridinium compounds with the orthosteric binding site of human alpha7 and Torpedo californica nicotinic acetylcholine receptors (nAChRs). Toxicol Lett. 2011 Sep 25;206(1):100-4. doi: 10.1016/j.toxlet.2011.06.009. Epub 2011 Jun 16."	Experimental	Epibatidine analogues	Organic compounds; Alkaloids and derivatives; Epibatidine analogues	"Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1						99444191					Epibatidine	CHEMBL298826	
DB07720	Epibatidine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN		22060139	"Henderson BJ, Carper DJ, Gonzalez-Cestari TF, Yi B, Mahasenan K, Pavlovicz RE, Dalefield ML, Coleman RS, Li C, McKay DB: Structure-activity relationship studies of sulfonylpiperazine analogues as novel negative allosteric modulators of human neuronal nicotinic receptors. J Med Chem. 2011 Dec 22;54(24):8681-92. doi: 10.1021/jm201294r. Epub 2011 Nov 18."	Experimental	Epibatidine analogues	Organic compounds; Alkaloids and derivatives; Epibatidine analogues	"Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1						99444191					Epibatidine	CHEMBL298826	
DB07720	Epibatidine	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	agonist	9454827	"Stauderman KA, Mahaffy LS, Akong M, Velicelebi G, Chavez-Noriega LE, Crona JH, Johnson EC, Elliott KJ, Gillespie A, Reid RT, Adams P, Harpold MM, Corey-Naeve J: Characterization of human recombinant neuronal nicotinic acetylcholine receptor subunit combinations alpha2beta4, alpha3beta4 and alpha4beta4 stably expressed in HEK293 cells. J Pharmacol Exp Ther. 1998 Feb;284(2):777-89."	Experimental	Epibatidine analogues	Organic compounds; Alkaloids and derivatives; Epibatidine analogues	"Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1						99444191					Epibatidine	CHEMBL298826	
DB07720	Epibatidine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	agonist	9454827	"Stauderman KA, Mahaffy LS, Akong M, Velicelebi G, Chavez-Noriega LE, Crona JH, Johnson EC, Elliott KJ, Gillespie A, Reid RT, Adams P, Harpold MM, Corey-Naeve J: Characterization of human recombinant neuronal nicotinic acetylcholine receptor subunit combinations alpha2beta4, alpha3beta4 and alpha4beta4 stably expressed in HEK293 cells. J Pharmacol Exp Ther. 1998 Feb;284(2):777-89."	Experimental	Epibatidine analogues	Organic compounds; Alkaloids and derivatives; Epibatidine analogues	"Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1						99444191					Epibatidine	CHEMBL298826	
DB07720	Epibatidine	BE0003584	CHRNB4	P30926	ACHB4_HUMAN	agonist	9454827	"Stauderman KA, Mahaffy LS, Akong M, Velicelebi G, Chavez-Noriega LE, Crona JH, Johnson EC, Elliott KJ, Gillespie A, Reid RT, Adams P, Harpold MM, Corey-Naeve J: Characterization of human recombinant neuronal nicotinic acetylcholine receptor subunit combinations alpha2beta4, alpha3beta4 and alpha4beta4 stably expressed in HEK293 cells. J Pharmacol Exp Ther. 1998 Feb;284(2):777-89."	Experimental	Epibatidine analogues	Organic compounds; Alkaloids and derivatives; Epibatidine analogues	"Cholinergic Agonists; Sensory System Agents; Central Nervous System Agents; Nicotinic Agonists; Neurotransmitter Agents; Analgesics, Non-Narcotic; Cholinergic Agents; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1						99444191					Epibatidine	CHEMBL298826	
DB07723	3-(5-methoxy-1H-indol-3-yl)propanoic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC=C2NC=C(CCC(O)=O)C2=C1						99444194							
DB07724	Indeglitazar	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12						99444195					Plexxikon	CHEMBL1232583	
DB07724	Indeglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12						99444195					Plexxikon	CHEMBL1232583	
DB07724	Indeglitazar	BE0001007	PPARD	Q03181	PPARD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12						99444195					Plexxikon	CHEMBL1232583	
DB07724	Indeglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolyl carboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives		COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12						99444195					Plexxikon	CHEMBL1232583	
DB07728	"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1						99444199						CHEMBL226471	
DB07728	"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"	BE0004064	MAPKAPK3	Q16644	MAPK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1						99444199						CHEMBL226471	
DB07730	"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-4-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids		OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O						99444201							
DB07739	"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1						99444210						CHEMBL177749	
DB07746	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C						99444217						CHEMBL230172	
DB07747	"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1						99444218							
DB07754	DCFBC	BE0000568	FOLH1	Q04609	FOLH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O						99444225							
DB07757	"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Fluorenes	Organic compounds; Benzenoids; Fluorenes		CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2						99444228						CHEMBL211614	
DB07763	"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE"	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylhydrazines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines		C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F						99444234							
DB07763	"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE"	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylhydrazines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines		C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F						99444234							
DB07766	"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}"	BE0004076	CAMK2A	Q9UQM7	KCC2A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO						99444237							
DB07766	"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}"	BE0004077	CDK16	Q00536	CDK16_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO						99444237							
DB07771	"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID"	BE0004071	KRAS	P01116	RASK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids		CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O						99444242							
DB07771	"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID"	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids		CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O						99444242							
DB07771	"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID"	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids		CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O						99444242							
DB07776	Flavone	BE0005001	ESRRB	O95718	ERR2_HUMAN	agonist	14638870	"Suetsugi M, Su L, Karlsberg K, Yuan YC, Chen S: Flavone and isoflavone phytoestrogens are agonists of estrogen-related receptors. Mol Cancer Res. 2003 Nov;1(13):981-91."	Approved; Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Chromones; Flavones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids"	O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1						99444247					Flavones	CHEMBL275638	1536070
DB07776	Flavone	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN		19563207; 21053930	"Shimada T, Tanaka K, Takenaka S, Foroozesh MK, Murayama N, Yamazaki H, Guengerich FP, Komori M: Reverse type I binding spectra of human cytochrome P450 1B1 induced by flavonoid, stilbene, pyrene, naphthalene, phenanthrene, and biphenyl derivatives that inhibit catalytic activity: a structure-function relationship study. Chem Res Toxicol. 2009 Jul;22(7):1325-33. doi: 10.1021/tx900127s.@@Shimada T, Tanaka K, Takenaka S, Murayama N, Martin MV, Foroozesh MK, Yamazaki H, Guengerich FP, Komori M: Structure-function relationships of inhibition of human cytochromes P450 1A1, 1A2, 1B1, 2C9, and 3A4 by 33 flavonoid derivatives. Chem Res Toxicol. 2010 Dec 20;23(12):1921-35. doi: 10.1021/tx100286d."	Approved; Experimental	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Chromones; Flavones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids"	O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1						99444247					Flavones	CHEMBL275638	1536070
DB07778	(S)-famoxadone	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1						99444249						CHEMBL10118	
DB07778	(S)-famoxadone	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1						99444249						CHEMBL10118	
DB07780	Farnesyl diphosphate	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action			99444251					Farnesyl_pyrophosphate	CHEMBL69330	
DB07780	Farnesyl diphosphate	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action			99444251					Farnesyl_pyrophosphate	CHEMBL69330	
DB07780	Farnesyl diphosphate	BE0004071	KRAS	P01116	RASK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action			99444251					Farnesyl_pyrophosphate	CHEMBL69330	
DB07780	Farnesyl diphosphate	BE0004072	RABGGTA	Q92696	PGTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Terpenes	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O		"Cerivastatin Action Pathway; Desmosterolosis; Pamidronate Action Pathway; Ibandronate Action Pathway; Simvastatin Action Pathway; Chondrodysplasia Punctata II, X-Linked Dominant (CDPX2); Smith-Lemli-Opitz Syndrome (SLOS); Hyper-IgD Syndrome; Hereditary Coproporphyria (HCP); Porphyria Variegata (PV); Lysosomal Acid Lipase Deficiency (Wolman Disease); Steroid Biosynthesis; Hypercholesterolemia; Acute Intermittent Porphyria; Risedronate Action Pathway; Mevalonic Aciduria; Porphyrin Metabolism; Rosuvastatin Action Pathway; Alendronate Action Pathway; Zoledronate Action Pathway; CHILD Syndrome; Congenital Erythropoietic Porphyria (CEP) or Gunther Disease; Cholesteryl Ester Storage Disease; Lovastatin Action Pathway; Wolman Disease; Fluvastatin Action Pathway; Atorvastatin Action Pathway; Pravastatin Action Pathway"	disease; metabolic; drug_action			99444251					Farnesyl_pyrophosphate	CHEMBL69330	
DB07783	1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O						99444254						CHEMBL338076	
DB07785	"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE"	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O						99444256						CHEMBL92404	
DB07786	"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE"	BE0002214	ADA	P00813	ADA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		[H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O						99444257							
DB07787	"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE"	BE0001717	PARP1	P09874	PARP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1						99444258						CHEMBL361054	
DB07788	"(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE"	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Zearalenones	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones		[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1						99444259						CHEMBL1079087	
DB07792	"(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@]1(CC2=C(C=CC=C2)N(CC(=O)NCCO)C1=O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2						99444263							
DB07793	"(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@]1(Cl)SC2=NC(=CC2=C1)C(=O)N[C@@]1([H])CC2=C(C=CC=C2)N(CC(N)=O)C1=O						99444264							
DB07794	"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE"	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1						99444265						CHEMBL259551	
DB07795	Fisetin	BE0002212	CDK6	Q00534	CDK6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Flavonols	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Flavonoids"	OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1						99444266					Fisetin	CHEMBL31574	2667741
DB07798	"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F						99444269						CHEMBL177101	
DB07807	"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropylamines		[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O						99444278						CHEMBL213661	
DB07811	"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1						99444282						CHEMBL522579	
DB07812	"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide"	BE0001172	AKT2	P31751	AKT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines		[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1						99444283							
DB07812	"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide"	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines		[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1						99444283							
DB07814	Gibberellic acid	BE0004098	AADACL2	Q6P093	ADCL2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C19-gibberellin 6-carboxylic acids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Diterpenes, Kaurane; Diterpenes; Growth Substances; Gibberellins; Alkaloids; Diterpene Alkaloids; Plant Growth Regulators; Terpenes"	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O						99444285					Gibberellic_acid	CHEMBL1232952	
DB07815	Gibberellin A4	BE0004098	AADACL2	Q6P093	ADCL2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C19-gibberellin 6-carboxylic acids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	"Diterpenes, Kaurane; Diterpenes; Alkaloids; Diterpene Alkaloids; Terpenes"	[H][C@@]12C[C@]3(CC1=C)[C@@H](C(O)=O)[C@]1([H])[C@@]4(C)[C@@H](O)CC[C@@]1(OC4=O)[C@]3([H])CC2						99444286							
DB07827	"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CN1C(=O)N(CC2=CC=C(C=C2)C(O)=O)C(=O)C2=C1C=CC(=C2)C#CCC1=CC=CC=C1						99444298						CHEMBL496942	
DB07829	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1						99444300						CHEMBL1233024	
DB07832	"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives		CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1						99444303						CHEMBL237127	
DB07833	"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N						99444304						CHEMBL270164	
DB07834	"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1						99444305						CHEMBL273158	
DB07835	"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1						99444306						CHEMBL478649	
DB07837	"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid"	BE0004105	SGK1	O00141	SGK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrroles	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles		OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1						99444308						CHEMBL549906	
DB07838	(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE	BE0003780	NMT2	O60551	NMT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrophenols	Organic compounds; Benzenoids; Phenols; Nitrophenols		OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O						99444309							
DB07839	"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1						99444310						CHEMBL204785	
DB07840	"(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol"	BE0002131	FGFR1	P11362	FGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1						99444311							
DB07841	Geranylgeranyl diphosphate	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acyclic diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O						99444312					Geranylgeranyl_pyrophosphate		
DB07841	Geranylgeranyl diphosphate	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acyclic diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O						99444312					Geranylgeranyl_pyrophosphate		
DB07841	Geranylgeranyl diphosphate	BE0004072	RABGGTA	Q92696	PGTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acyclic diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Potential QTc-Prolonging Agents; Organophosphates; QTc Prolonging Agents; Organophosphorus Compounds; Phosphate salts; Terpenes	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O						99444312					Geranylgeranyl_pyrophosphate		
DB07842	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives		[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O						99444313						CHEMBL191060	
DB07845	"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide"	BE0003790	MAPK8	P45983	MK08_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1						99444316							
DB07853	"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile"	BE0004041	SLK	Q9H2G2	SLK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1						99444324							
DB07853	"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile"	BE0004108	CAMK2D	Q13557	KCC2D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1						99444324							
DB07853	"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile"	BE0004109	STK26	Q9P289	STK26_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1						99444324							
DB07854	N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2						99444325						CHEMBL376388	
DB07855	(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1						99444326							
DB07856	6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1						99444327						CHEMBL228133	
DB07857	(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1						99444328						CHEMBL227924	
DB07858	(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1						99444329						CHEMBL223339	
DB07859	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1						99444330						CHEMBL428462	
DB07859	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE	BE0001172	AKT2	P31751	AKT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1						99444330						CHEMBL428462	
DB07859	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1						99444330						CHEMBL428462	
DB07860	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes		[H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1						99444331							
DB07862	"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1						99444333						CHEMBL318721	
DB07863	2-chloro-5-nitro-N-phenylbenzamide	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1						99444334						CHEMBL375270	
DB07863	2-chloro-5-nitro-N-phenylbenzamide	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1						99444334						CHEMBL375270	
DB07863	2-chloro-5-nitro-N-phenylbenzamide	BE0000412	RXRA	P19793	RXRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1						99444334						CHEMBL375270	
DB07866	"(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiazolines	Organic compounds; Organoheterocyclic compounds; Azolines; Thiazolines		CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O						99444337							
DB07870	Haloxyfop-P	BE0000702	ACACB	O00763	ACACB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryloxyphenoxypropionic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids		C[C@@H](OC1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)C(O)=O						99444341						CHEMBL1233202	
DB07876	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1						99444347						CHEMBL406821	
DB07876	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	BE0001016	ROCK1	Q13464	ROCK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1						99444347						CHEMBL406821	
DB07877	"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N						99444348						CHEMBL383189	
DB07878	"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1						99444349							
DB07879	"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide"	BE0003523	HDAC4	P56524	HDAC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1						99444350							
DB07895	ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Fatty Alcohols; Organophosphorus Compounds; Sesquiterpenes; Lipids; Alcohols; Terpenes	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O						99444366							
DB07895	ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	Fatty Alcohols; Organophosphorus Compounds; Sesquiterpenes; Lipids; Alcohols; Terpenes	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O						99444366							
DB07901	5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE	BE0004117	METAP1	P53582	MAP11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1						99444372						CHEMBL472879	
DB07902	"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE"	BE0004117	METAP1	P53582	MAP11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives		CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1						99444373						CHEMBL327579	
DB07903	"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE"	BE0004117	METAP1	P53582	MAP11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinecarboxamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives		CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1						99444374						CHEMBL316308	
DB07905	Hypothemycin	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental			"Biological Factors; Mycotoxins; Phenols; Toxins, Biological; Lactones; Benzene Derivatives; Resorcinols"	[H]\C1=C([H])\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2C2=C(C(O)=CC(OC)=C2)C(=O)O[C@@H](C)C1						99444376						CHEMBL471474	
DB07906	"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O						99444377						CHEMBL293700	
DB07907	(2S)-2-HYDROXYOCTANOIC ACID	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		[H][C@](O)(CCCCCC)C(O)=O						99444378							
DB07912	2-OXOHEPTYLPHOSPHONIC ACID	BE0004122	ENOPH1	Q9UHY7	ENOPH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic phosphonic acids	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids		CCCCCC(=O)CP(O)(O)=O						99444383							
DB07920	N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		O=NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1						99444391							
DB07921	2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		FC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O						99444392							
DB07922	N-oxo-2-(phenylsulfonylamino)ethanamide	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1						99444393							
DB07926	N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE	BE0000920	MMP1	P03956	MMP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC						99444397						CHEMBL45483	
DB07931	Hexestrol	BE0000123	ESR1	P03372	ESR1_HUMAN		18976723	"Maru BS, Tobias JH, Rivers C, Caunt CJ, Norman MR, McArdle CA: Potential use of an estrogen-glucocorticoid receptor chimera as a drug screen for tissue selective estrogenic activity. Bone. 2009 Jan;44(1):102-12. doi: 10.1016/j.bone.2008.09.016. Epub 2008 Oct 11."	Withdrawn	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Estrogens; Antineoplastic Agents, Hormonal; Benzylidene Compounds; Benzyl Compounds; Hormones; Thyroxine-binding globulin inducers; Benzene Derivatives; Dihydrostilbenoids; Antineoplastic Agents; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1						99444402					Hexestrol	CHEMBL9225	
DB07931	Hexestrol	BE0000956	NR1I2	O75469	NR1I2_HUMAN		20869355	"Dring AM, Anderson LE, Qamar S, Stoner MA: Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. Chem Biol Interact. 2010 Dec 5;188(3):512-25. doi: 10.1016/j.cbi.2010.09.018. Epub 2010 Oct 20."	Withdrawn	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Estrogens, Non-Steroidal; Stilbenes; Stilbestrols; Estrogens; Antineoplastic Agents, Hormonal; Benzylidene Compounds; Benzyl Compounds; Hormones; Thyroxine-binding globulin inducers; Benzene Derivatives; Dihydrostilbenoids; Antineoplastic Agents; Bibenzyls; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1						99444402					Hexestrol	CHEMBL9225	
DB07932	"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1						99444403						CHEMBL1213270	
DB07932	"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1						99444403						CHEMBL1213270	
DB07933	Erteberel	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids	"Pyrans; Heterocyclic Compounds, Fused-Ring"	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1						99444404	D09899				Erteberel	CHEMBL278703	
DB07933	Erteberel	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids	"Pyrans; Heterocyclic Compounds, Fused-Ring"	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1						99444404	D09899				Erteberel	CHEMBL278703	
DB07940	"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE"	BE0002180	BCHE	P06276	CHLE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Acridines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines		IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1						99444411							
DB07941	PH-797804	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"p38 Mitogen-Activated Protein Kinases, antagonists & inhibitors; Benzoates; Acids, Carbocyclic; Amides; Benzene Derivatives; Pyridines"	CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O						99444412						CHEMBL1088751	
DB07942	2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1						99444413							
DB07943	SD-0006	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=CC=NC=N1)C1=CC=C(Cl)C=C1						99444414						CHEMBL1090173	
DB07947	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1						99444418						CHEMBL227381	
DB07947	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	BE0001172	AKT2	P31751	AKT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1						99444418						CHEMBL227381	
DB07947	ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1						99444418						CHEMBL227381	
DB07949	"({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives		OC(=O)CO\N=C1/C2=CC=CCC2=N/C/1=C1\C(=O)N=C2CC=CC=C12						99444420							
DB07950	Indoleacetic acid	BE0000273	CCBL1	Q16773	KAT1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indole-3-acetic acid derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives	"Heterocyclic Compounds, Fused-Ring; Growth Substances; Indoles; Plant Growth Regulators"	OC(=O)CC1=CNC2=CC=CC=C12		Tryptophan Metabolism	metabolic			99444421					Indole-3-acetic_acid	CHEMBL82411	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0000182	PDE5A	O76074	PDE5A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0001223	PDE3B	Q13370	PDE3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0000706	PDE7A	Q13946	PDE7A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0003134	PDE9A	O76083	PDE9A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07954	3-isobutyl-1-methyl-7H-xanthine	BE0003556	PDE6G	P18545	CNRG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Purinones; Xanthine derivatives; Phosphodiesterase Inhibitors"	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O						99444425					IBMX	CHEMBL275084	
DB07959	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2						99444430						CHEMBL383990	
DB07969	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines		CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1						99444440						CHEMBL462712	
DB07970	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide	BE0004140	EPHA7	Q15375	EPHA7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F						99444441						CHEMBL552425	
DB07979	"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID"	BE0004141	DAO	P14920	OXDA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O						99444450							
DB07986	[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines		OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1						99444457							
DB07987	"[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester"	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H]N([C@H](CC(=O)N([H])C1=NN([H])C(=S)S1)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1						99444458							
DB07988	"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide"	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Protease Inhibitors; Matrix Metalloproteinase Inhibitors; Thiazoles; Enzyme Inhibitors; Sulfur Compounds; Amides	CNC(=O)[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)NC(=O)NC1=NN=C(S)S1						99444459						CHEMBL290140	
DB07991	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-phenylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1						99444462						CHEMBL391910	
DB07995	H-89	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring; Sulfones; Enzyme Inhibitors; Sulfur Compounds; Amides; Protein Kinase Inhibitors"	BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1						99444466					H-89	CHEMBL104264	
DB07995	H-89	BE0009434	EIF2AK2	P19525	E2AK2_HUMAN	inhibitor	21781791	"Harrison PK, Connor M, Kelly E: Chronic ethanol promotes the neuronal differentiation of NG108-15 cells independently of toxin-sensitive G-proteins. Environ Toxicol Pharmacol. 1997 Sep;3(4):307-19. doi: 10.1016/s1382-6689(97)00023-9."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring; Sulfones; Enzyme Inhibitors; Sulfur Compounds; Amides; Protein Kinase Inhibitors"	BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1						99444466					H-89	CHEMBL104264	
DB07996	5-(2-methylpiperazine-1-sulfonyl)isoquinoline	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Sulfur Compounds; Isoquinolines; Sulfonamides"	CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1						99444467						CHEMBL323556	
DB07997	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives		CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2						99444468						CHEMBL148333	
DB07999	"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-naphthalene sulfonic acids and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives		OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1						99444470							
DB08000	"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-naphthalene sulfonic acids and derivatives	Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives		OC(=O)CN1C(=O)C2=C(C(=CC3=CC=CC=C23)C(O)=O)S1(=O)=O						99444471							
DB08001	5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	o-Hydroxybenzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O						99444472						CHEMBL184444	
DB08003	ISOTHIAZOLIDINONE ANALOG	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O						99444474						CHEMBL382311	
DB08005	4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1						99444476						CHEMBL248176	
DB08009	SU-11652	BE0004147	CAMK1G	Q96NX5	KCC1G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Heterocyclic Compounds, Fused-Ring"	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C						99444480						CHEMBL13485	
DB08010	"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12						99444481						CHEMBL561540	
DB08011	"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Benzo-1,3-dioxanes"	"Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,3-dioxanes"		O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2						99444482							
DB08015	"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Benzo-1,3-dioxanes"	"Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,3-dioxanes"		O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1						99444486						CHEMBL549385	
DB08018	"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE"	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1						99444489						CHEMBL474637	
DB08018	"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1						99444489						CHEMBL474637	
DB08019	"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine"	BE0000067	NOS1	P29475	NOS1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1						99444490						CHEMBL526688	
DB08019	"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine"	BE0000263	NOS3	P29474	NOS3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1						99444490						CHEMBL526688	
DB08020	"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"	BE0000792	ESR2	Q92731	ESR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1						99444491						CHEMBL236086	
DB08020	"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1						99444491						CHEMBL236086	
DB08021	5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-furanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1						99444492						CHEMBL1233749	
DB08023	"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Imidazopyridines	Organic compounds; Organoheterocyclic compounds; Imidazopyridines		CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12						99444494						CHEMBL482708	
DB08025	"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		[H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC						99444496						CHEMBL203631	
DB08026	"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12						99444497						CHEMBL485323	
DB08029	N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1						99444500						CHEMBL1233772	
DB08030	3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenylcarbonitriles	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		ONC(=O)CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N						99444501						CHEMBL38851	
DB08032	"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiophene carboxamides	Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives		CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2						99444503						CHEMBL228369	
DB08033	"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thiophene carboxamides	Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives		[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2						99444504							
DB08037	MK-0731	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrrolines	Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines		CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1						99444508						CHEMBL481931	
DB08038	"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide"	BE0004150	KLK7	P49862	KLK7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O						99444509							
DB08039	"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE"	BE0004108	CAMK2D	Q13557	KCC2D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1						99444510						CHEMBL605003	
DB08040	Kelatorphan	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Sensory System Agents; Central Nervous System Agents; Oligopeptides; Amino Acids, Peptides, and Proteins; Peptides; Peripheral Nervous System Agents; Analgesics"	C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O						99444511					Kelatorphan	CHEMBL85320	
DB08042	"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC						99444513							
DB08047	"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F						99444518						CHEMBL222501	
DB08047	"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F						99444518						CHEMBL222501	
DB08048	"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1						99444519						CHEMBL223026	
DB08048	"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1						99444519						CHEMBL223026	
DB08049	"7,8-dihydroxy-4-phenyl-2H-chromen-2-one"	BE0002089	COMT	P21964	COMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Neoflavones	Organic compounds; Phenylpropanoids and polyketides; Neoflavonoids; Neoflavones		OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O						99444520						CHEMBL1233867	
DB08059	Wortmannin	BE0000955	PIK3R1	P27986	P85A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oxasteroids and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxasteroids and derivatives	"Enzyme Inhibitors; Insulin Antagonists; Radiation-Sensitizing Agents; Hormone Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Protein Kinase Inhibitors; Androstadienes; Central Nervous System Depressants; Antifungal Agents; Immunologic Factors; Steroids; Fused-Ring Compounds; Androstanes; Androstenes; Immunosuppressive Agents; Anti-Infective Agents; Serotonin Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C						99444530					Wortmannin	CHEMBL428496	
DB08059	Wortmannin	BE0002379	PIK3CA	P42336	PK3CA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oxasteroids and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxasteroids and derivatives	"Enzyme Inhibitors; Insulin Antagonists; Radiation-Sensitizing Agents; Hormone Antagonists; Serotonin Receptor Antagonists; Antidepressive Agents; Protein Kinase Inhibitors; Androstadienes; Central Nervous System Depressants; Antifungal Agents; Immunologic Factors; Steroids; Fused-Ring Compounds; Androstanes; Androstenes; Immunosuppressive Agents; Anti-Infective Agents; Serotonin Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C						99444530					Wortmannin	CHEMBL428496	
DB08060	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	BE0000316	AGXT	P21549	SPYA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		NC1=CC=CC=C1C(=O)CCC(O)=O						99444531							
DB08063	"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE"	BE0000412	RXRA	P19793	RXRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1						99444534						CHEMBL189938	
DB08064	N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1						99444535						CHEMBL191598	
DB08067	4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM	BE0002408	JAK2	O60674	JAK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1						99444538							
DB08068	N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		[H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1						99444539							
DB08070	2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC1=NNC=C1C1=CC=C(CCN)C=C1						99444541						CHEMBL228224	
DB08073	(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE	BE0001172	AKT2	P31751	AKT2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12						99444544						CHEMBL379300	
DB08073	(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE	BE0001065	GSK3B	P49841	GSK3B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12						99444544						CHEMBL379300	
DB08073	(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12						99444544						CHEMBL379300	
DB08078	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	BE0001007	PPARD	Q03181	PPARD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O						99444549						CHEMBL153057	
DB08079	AMG-208	BE0000915	MET	P08581	MET_HUMAN	inhibitor	26155941	"Hong DS, Rosen P, Lockhart AC, Fu S, Janku F, Kurzrock R, Khan R, Amore B, Caudillo I, Deng H, Hwang YC, Loberg R, Ngarmchamnanrith G, Beaupre DM, Lee P: A first-in-human study of AMG 208, an oral MET inhibitor, in adult patients with advanced solid tumors. Oncotarget. 2015 Jul 30;6(21):18693-706. doi: 10.18632/oncotarget.4472."	Investigational	Phenylpyridazines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives		COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1						99444550						CHEMBL496102	
DB08080	Latrunculin B	BE0004156	MKL1	Q969V6	MKL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	Sulfur Compounds; Porifera; Thiazoles	[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1						99444551					Latrunculin	CHEMBL411879	
DB08082	N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OCCNC(=O)C1=CC=C(Cl)C=C1						99444553						CHEMBL1233960	
DB08084	IDD594	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fatty Acids, Volatile; Aldehyde Reductase, antagonists & inhibitors; Lipids; Sulfur Compounds; Acids, Acyclic; Fatty Acids; Amides"	OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F						99444555						CHEMBL395347	
DB08085	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	BE0000315	THRB	P10828	THB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoyl derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives		CCCCCCC1=CC=C(C=C1)C(=O)C=C						99444556						CHEMBL237600	
DB08091	3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1						99444562						CHEMBL365776	
DB08092	3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1						99444563						CHEMBL195450	
DB08093	3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1						99444564						CHEMBL195393	
DB08095	"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas		[H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O						99444566						CHEMBL379760	
DB08096	"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purines and purine derivatives	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2						99444567						CHEMBL425616	
DB08097	"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12						99444568						CHEMBL380373	
DB08098	"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrofurans	Organic compounds; Organoheterocyclic compounds; Furans; Nitrofurans		OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O						99444569							
DB08099	"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine"	BE0000270	REN	P00797	RENI_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines		[H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1						99444570							
DB08113	3-pyridin-4-yl-1H-indazole	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1						99444584						CHEMBL1234032	
DB08114	"5-benzyl-1,3-thiazol-2-amine"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,5-disubstituted thiazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles		NC1=NC=C(CC2=CC=CC=C2)S1						99444585						CHEMBL1234033	
DB08118	"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide"	BE0001056	GCK	P35557	HXK4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1						99444589						CHEMBL490961	
DB08121	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O						99444592						CHEMBL191275	
DB08128	"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetralins	Organic compounds; Benzenoids; Tetralins		[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N						99444599							
DB08129	(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes		[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F						99444600							
DB08130	"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine"	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1						99444601						CHEMBL485945	
DB08147	"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines		OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1						99444618						CHEMBL1234135	
DB08148	"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines		NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1						99444619						CHEMBL406863	
DB08149	"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines		NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1						99444620						CHEMBL260000	
DB08150	"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines		[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1						99444621							
DB08151	"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O						99444622						CHEMBL594972	
DB08155	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	BE0000267	CA1	P00915	CAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acetyl-2-arylethylamines	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives		CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O						99444626							
DB08156	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	BE0000267	CA1	P00915	CAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1						99444627						CHEMBL451332	
DB08157	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	BE0000267	CA1	P00915	CAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O						99444628							
DB08159	"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE"	BE0000971	TOP1	P11387	TOP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives		OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O						99444630						CHEMBL343336	
DB08162	Fasudil	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors"	O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2						99444633					Fasudil	CHEMBL38380	
DB08162	Fasudil	BE0001016	ROCK1	Q13464	ROCK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors"	O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2						99444633					Fasudil	CHEMBL38380	
DB08162	Fasudil	BE0004191	ROCK2	O75116	ROCK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"Antiarrhythmic agents; Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Piperazines; Enzyme Inhibitors; Sulfones; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Sulfur Compounds; Isoquinolines; Sulfonamides; Membrane Transport Modulators; Protein Kinase Inhibitors"	O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2						99444633					Fasudil	CHEMBL38380	
DB08163	5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine	BE0000101	AMD1	P17707	DCAM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	5'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides"		[H][C@]1(CN(C)CCCCON)O[C@@]([H])(N2C(C=C)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O						99444634							
DB08168	Coumarin 120	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Coumarins and derivatives	Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives	"Indicators and Reagents; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Pyrans; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	CC1=CC(=O)OC2=C1C=CC(N)=C2						99444639						CHEMBL270672	
DB08170	"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE"	BE0003690	MMP7	P09237	MMP7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO						99444641							
DB08175	"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids		COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O						99444646							
DB08176	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H]N=C([H])C(=C)CCC1=CC=C(F)C=C1						99444647							
DB08180	2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids		CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C						99444651						CHEMBL71360	
DB08186	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	BE0002683	KAT2B	Q92831	KAT2B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles		CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12						99444657							
DB08191	"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid"	BE0004105	SGK1	O00141	SGK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1						99444662						CHEMBL550795	
DB08194	"4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyranopyridines	Organic compounds; Organoheterocyclic compounds; Pyranopyridines		CC1=NC(N)=NC2=C1CSCC2						99444665							
DB08195	(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Morpholine carboxylic acids	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		[H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N						99444666							
DB08197	"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1						99444668						CHEMBL1234416	
DB08198	"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoyl derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives		[H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1						99444669						CHEMBL522806	
DB08200	(1R)-menthyl hexyl phosphonate group	BE0002180	BCHE	P06276	CHLE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C						99444671							
DB08201	(1S)-menthyl hexyl phosphonate group	BE0002180	BCHE	P06276	CHLE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C						99444672							
DB08203	"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE"	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COCC(COC)N1C=CC2=C1C=CC1=NC(N)=NC(N)=C21						99444674							
DB08208	"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE"	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C						99444679							
DB08210	"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE"	BE0001056	GCK	P35557	HXK4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylthioethers	Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers		CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F						99444681						CHEMBL608393	
DB08217	"S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate"	BE0004224	CEACAM5	P06731	CEAM5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolines	Organic compounds; Organoheterocyclic compounds; Pyrrolines		CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O						99444688							
DB08220	"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-carboxy steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid acids		[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1						99444691							
DB08220	"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid"	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-carboxy steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid acids		[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1						99444691							
DB08221	N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE	BE0003379	TEK	Q02763	TIE2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1NC1=NC=CC=C1C1=CC=NC=N1						99444692						CHEMBL245549	
DB08231	Myristic acid	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0004019	HNF4A	P41235	HNF4A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0000358	PPP3R1	P63098	CANB1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0004238	PPP3CA	Q08209	PP2BA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0003181	TRAPPC3	O43617	TPPC3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0001432	GM2A	P17900	SAP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08231	Myristic acid	BE0000071	PPARA	Q07869	PPARA_HUMAN		10403814	"Murakami K, Ide T, Suzuki M, Mochizuki T, Kadowaki T: Evidence for direct binding of fatty acids and eicosanoids to human peroxisome proliferators-activated receptor alpha. Biochem Biophys Res Commun. 1999 Jul 14;260(3):609-13."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	Myristic Acids; Fatty Acids; Lipids	CCCCCCCCCCCCCC(O)=O		Fatty Acid Biosynthesis	metabolic			99444702					Myristic_acid	CHEMBL111077	1356758
DB08234	"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dimethoxybenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes		CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC						99444705						CHEMBL485961	
DB08235	N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide	BE0004249	ARPC1B	O15143	ARC1B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1						99444706							
DB08235	N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide	BE0004254	ARPC4	P59998	ARPC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1						99444706							
DB08235	N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide	BE0004255	ARPC5	O15511	ARPC5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles		CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1						99444706							
DB08236	"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one"	BE0004249	ARPC1B	O15143	ARC1B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	P-chlorophenols	Organic compounds; Benzenoids; Phenols; Halophenols		[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1						99444707							
DB08236	"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one"	BE0004254	ARPC4	P59998	ARPC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	P-chlorophenols	Organic compounds; Benzenoids; Phenols; Halophenols		[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1						99444707							
DB08236	"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one"	BE0004255	ARPC5	O15511	ARPC5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	P-chlorophenols	Organic compounds; Benzenoids; Phenols; Halophenols		[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1						99444707							
DB08237	2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)	BE0003870	POLK	Q9UBT6	POLK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 2'-deoxyribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides"		[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O						99444708							
DB08238	5-aminonaphthalene-2-sulfonic acid	BE0000689	FGF1	P05230	FGF1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	2-naphthalene sulfonates	Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives		NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O						99444709						CHEMBL1234578	
DB08239	"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrrolines	Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines		[H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1						99444710						CHEMBL205437	
DB08242	"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1						99444713						CHEMBL410668	
DB08244	"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F						99444715						CHEMBL204459	
DB08246	"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrrolines	Organic compounds; Organoheterocyclic compounds; Pyrrolines; Phenylpyrrolines		[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1						99444717						CHEMBL380955	
DB08250	"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE"	BE0001852	KIF11	P52732	KIF11_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1						99444721							
DB08256	N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-carbamoyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CNC(=O)NC1CCCCC1						99444727						CHEMBL66380	
DB08257	4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CCCNC(=O)NC1CCCCC1						99444728						CHEMBL219695	
DB08258	6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		OC(=O)CCCCCNC(=O)NC1CCCCC1						99444729						CHEMBL434374	
DB08259	7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID	BE0000950	EPHX2	P34913	HYES_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		OC(=O)CCCCCCNC(=O)NC1CCCCC1						99444730							
DB08263	N-(carboxycarbonyl)-D-phenylalanine	BE0002503	HIF1AN	Q9NWT6	HIF1N_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O						99444734						CHEMBL486146	
DB08271	N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO						99444742						CHEMBL311932	
DB08271	N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO						99444742						CHEMBL311932	
DB08271	N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID	BE0003696	MMP20	O60882	MMP20_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO						99444742						CHEMBL311932	
DB08276	trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-)	BE0003893	MYH14	Q7Z406	MYH14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Organic pyrophosphates	Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates		CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)C1=CC=CC=C1[N+]([O-])=O						99444747							
DB08277	"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers		[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O						99444748							
DB08280	"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles		[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O						99444751							
DB08291	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	BE0002683	KAT2B	Q92831	KAT2B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Nitrobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes		NCCCNC1=CC=CC=C1[N+]([O-])=O						99444762						CHEMBL1234797	
DB08299	"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid"	BE0001133	PDE4A	P27815	PDE4A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1						99444770						CHEMBL74078	
DB08299	"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid"	BE0000487	PDE4B	Q07343	PDE4B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1						99444770						CHEMBL74078	
DB08299	"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid"	BE0001287	PDE4D	Q08499	PDE4D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1						99444770						CHEMBL74078	
DB08302	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O						99444773							
DB08303	"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,2,4-benzothiadiazine-1,1-dioxides"	Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines		[H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1						99444774							
DB08304	"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines		[H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1						99444775							
DB08305	"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide"	BE0000829	GRIA2	P42262	GRIA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines		[H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1						99444776							
DB08320	"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC						99444791							
DB08320	"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC						99444791							
DB08321	"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol"	BE0003505	MAN2A1	Q16706	MA2A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Cyclitols and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols		[H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O						99444792						CHEMBL1234952	
DB08322	"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Coumaric acid esters	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives		[H][C@@](CC(O)=O)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@]([H])(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O						99444793						CHEMBL1234956	
DB08325	2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol	BE0004270	CSNK1G1	Q9HCP0	KC1G1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1						99444796						CHEMBL311228	
DB08325	2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol	BE0004271	MERTK	Q12866	MERTK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1						99444796						CHEMBL311228	
DB08326	"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE"	BE0004272	ACSBG1	Q96GR2	ACBG1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles		OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1						99444797							
DB08330	METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1						99444801							
DB08330	METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1						99444801							
DB08341	"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide"	BE0000871	PTK2B	Q14289	FAK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		[H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F						99444812						CHEMBL509485	
DB08342	S-palmitoyl-L-cysteine	BE0003181	TRAPPC3	O43617	TPPC3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O						99444813							
DB08348	"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE"	BE0004283	PARP15	Q460N3	PAR15_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenanthridines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines		CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1						99444819						CHEMBL372303	
DB08349	"N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O						99444820						CHEMBL559401	
DB08351	N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1						99444822						CHEMBL494072	
DB08352	"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles		CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F						99444823						CHEMBL257341	
DB08358	"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"	BE0001373	MAPKAPK2	P49137	MAPK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1						99444829						CHEMBL226403	
DB08358	"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"	BE0004064	MAPKAPK3	Q16644	MAPK3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1						99444829						CHEMBL226403	
DB08361	"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide"	BE0001316	SYK	P43405	KSYK_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxamides	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		[H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O						99444832						CHEMBL1235110	
DB08371	p-Benzoyl-L-phenylalanine	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Ketones; Amino Acids, Cyclic; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O						99444842							
DB08373	"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL"	BE0004289	SCGB1A1	P11684	UTER_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Polychlorinated biphenyls	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O						99444844							
DB08383	"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole"	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1						99444854						CHEMBL1235237	
DB08384	2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1						99444855						CHEMBL562317	
DB08385	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid	BE0002194	FAAH	O00519	FAAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives		OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1						99444856							
DB08386	2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1						99444857						CHEMBL560377	
DB08387	Mardepodect	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"Heterocyclic Compounds, Fused-Ring"	CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1						99444858					Mardepodect	CHEMBL562318	
DB08388	"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O						99444859						CHEMBL222002	
DB08389	"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE"	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1						99444860						CHEMBL410834	
DB08391	PQ-10	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC2=NC=NC(N3CC[C@H](C3)OC3=NC4=CC=CC=C4N=C3)=C2C=C1OC						99444862					Culver_PQ-10	CHEMBL219445	
DB08392	"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3-diphenylfurans"	Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans		COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1						99444863						CHEMBL190201	
DB08393	"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,3-diphenylfurans"	Organic compounds; Organoheterocyclic compounds; Furans; Diphenylfurans		OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1						99444864						CHEMBL189434	
DB08395	2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers		CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1						99444866						CHEMBL371491	
DB08397	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Naphthalenecarboxylic acids	Organic compounds; Benzenoids; Naphthalenes; Naphthalenecarboxylic acids and derivatives		OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O						99444868						CHEMBL99447	
DB08398	"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	Mutagens; Carcinogens; Toxic Actions; Noxae	CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1						99444869					"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine"	CHEMBL1213271	
DB08398	"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	Mutagens; Carcinogens; Toxic Actions; Noxae	CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1						99444869					"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine"	CHEMBL1213271	
DB08399	Piceatannol	BE0003840	ATP5A1	P25705	ATPA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	Benzylidene Compounds; Tyrosine Kinase Inhibitors; Benzene Derivatives	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1						99444870					Piceatannol	CHEMBL69863	
DB08400	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid	BE0002194	FAAH	O00519	FAAH1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines		OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1						99444871							
DB08402	"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1						99444873						CHEMBL1204498	
DB08402	"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1						99444873						CHEMBL1204498	
DB08402	"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID"	BE0000412	RXRA	P19793	RXRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides		OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1						99444873						CHEMBL1204498	
DB08403	METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID	BE0000920	MMP1	P03956	MMP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC						99444874						CHEMBL11306	
DB08406	"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dibenzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines		NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1						99444877						CHEMBL301769	
DB08423	[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoylpyrazoles	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives		NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1						99444894							
DB08424	"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE"	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzoylpyrazoles	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives		[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1						99444895						CHEMBL203567	
DB08435	"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid"	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids		[H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC						99444906						CHEMBL1210221	
DB08436	"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-aminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12						99444907						CHEMBL326564	
DB08437	Puromycin	BE0003824	RPL13A	P40429	RL13A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides"	"Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials"	COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1						99444908					Puromycin	CHEMBL469912	
DB08437	Puromycin	BE0003825	RPL23	P62829	RL23_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides"	"Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials"	COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1						99444908					Puromycin	CHEMBL469912	
DB08437	Puromycin	BE0003827	RPL19	P84098	RL19_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides"	"Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials"	COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1						99444908					Puromycin	CHEMBL469912	
DB08437	Puromycin	BE0003828	RPL23A	P62750	RL23A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides"	"Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials"	COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1						99444908					Puromycin	CHEMBL469912	
DB08442	"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrrolidines	Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Phenylpyrrolidines		[H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C						99444913						CHEMBL470365	
DB08443	"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Salicylamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1						99444914						CHEMBL513225	
DB08448	"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzazepines	Organic compounds; Organoheterocyclic compounds; Benzazepines		[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1						99444919							
DB08449	"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid"	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12						99444920						CHEMBL1235556	
DB08450	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine	BE0003782	TGFBR1	P36897	TGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1						99444921						CHEMBL537968	
DB08453	2-Nonyl-4-quinolinol 1-oxide	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-hydroxy-2-alkylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines		CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1						99444924						CHEMBL1235570	
DB08453	2-Nonyl-4-quinolinol 1-oxide	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	4-hydroxy-2-alkylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; 4-hydroxy-2-alkylquinolines		CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1						99444924						CHEMBL1235570	
DB08454	N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE	BE0004324	CAMK1D	Q8IU85	KCC1D_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1						99444925						CHEMBL359482	
DB08466	"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol"	BE0001680	LTA4H	P09960	LKHA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes		OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1						99444937						CHEMBL111234	
DB08480	4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		[H][C@]1(CCC2=C1C=CC=C2O)\N=C\C=C						99444951							
DB08482	[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER	BE0000920	MMP1	P03956	MMP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC						99444953						CHEMBL92608	
DB08484	4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE	BE0002431	FBP1	P09467	F16P1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminobenzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCS						99444955						CHEMBL497689	
DB08489	"N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE"	BE0003690	MMP7	P09237	MMP7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams		[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1						99444960						CHEMBL281795	
DB08490	CTS-1027	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Amines; Hydroxy Acids; Hydroxylamines	ONC(=O)C1(CS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1						99444961						CHEMBL440498	
DB08491	N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE	BE0000920	MMP1	P03956	MMP1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers		ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1						99444962						CHEMBL1235735	
DB08493	"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID"	BE0003690	MMP7	P09237	MMP7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams		[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1						99444964						CHEMBL282146	
DB08500	"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC2=CC=CC=C2C=C1						99444971							
DB08503	"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol"	BE0000916	PYGM	P11217	PYGM_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	C-glycosyl compounds	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC=C(C)C=C1						99444974							
DB08507	N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO						99444978						CHEMBL176602	
DB08513	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1						99444984							
DB08513	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID	BE0000033	INSR	P06213	INSR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrimidinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1						99444984							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0003910	PSMA1	P25786	PSA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0003912	PSMA3	P25788	PSA3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0003913	PSMA4	P25789	PSA4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0002349	PSMB2	P49721	PSB2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0002348	PSMB5	P28074	PSB5_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0003919	PSMB6	P28072	PSB6_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08515	"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"	BE0003920	PSMB7	Q99436	PSB7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Furopyrroles	Organic compounds; Organoheterocyclic compounds; Furopyrroles		[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O						99444986							
DB08516	(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]	BE0002196	MAOB	P27338	AOFB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](C)(\N=C\C1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O						99444987							
DB08519	"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine"	BE0000369	KDR	P35968	VGFR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indazoles	Organic compounds; Organoheterocyclic compounds; Benzopyrazoles; Indazoles		COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC						99444990						CHEMBL479079	
DB08521	4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1						99444992							
DB08521	4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine	BE0000923	MAPK1	P28482	MK01_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1						99444992							
DB08522	4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1						99444993						CHEMBL96741	
DB08526	CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE	BE0003970	CTSH	P09668	CATH_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Leucine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1						99444997							
DB08549	"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC						99445020						CHEMBL1185001	
DB08550	"7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines	"Phenylethanolamine N-Methyltransferase, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Monoamine Oxidase Inhibitors; Central Nervous System Depressants; Enzyme Inhibitors; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Isoquinolines; Antidepressive Agents"	ClC1=CC=C2CCNCC2=C1Cl						99445021						CHEMBL287837	
DB08553	"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime"	BE0000634	BRAF	P15056	BRAF_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indanes	Organic compounds; Benzenoids; Indanes		O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1						99445024						CHEMBL526479	
DB08555	"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline"	BE0001097	MAPK10	P53779	MK10_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Dihydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Dihydroisoquinolines		COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1						99445026						CHEMBL1083185	
DB08557	"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2						99445028						CHEMBL410448	
DB08560	3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1						99445031						CHEMBL378160	
DB08561	"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE"	BE0000966	MMP13	P45452	MMP13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzyloxycarbonyls	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzyloxycarbonyls		O=C(OCC1=CC=CC=C1)C1=CN2C(S1)=CC(=O)N(CC1=CC=CC=C1)C2=O						99445032						CHEMBL409536	
DB08568	A-674563	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Pyrazoles; Heterocyclic Compounds, Fused-Ring"	CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1						99445039						CHEMBL379218	
DB08569	"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE"	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines		[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1						99445040						CHEMBL229855	
DB08574	"(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one"	BE0004342	MLLT4	P55196	AFAD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes		FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1						99445045							
DB08575	"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM"	BE0000266	MME	P08473	NEP_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Imidazo-[4,5-c]pyridines"	"Organic compounds; Organoheterocyclic compounds; Imidazopyridines; Imidazo-[4,5-c]pyridines"		[H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2						99445046							
DB08577	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE	BE0002131	FGFR1	P11362	FGFR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines		CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O						99445048						CHEMBL89363	
DB08590	1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE	BE0004344	IRAK4	Q9NWZ3	IRAK4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles		CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1						99445061						CHEMBL1236126	
DB08591	"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1						99445062						CHEMBL193233	
DB08593	"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE"	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1						99445064						CHEMBL190801	
DB08595	"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1						99445066							
DB08595	"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids		[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1						99445066							
DB08597	Dorsomorphin	BE0000264	ACVR1	Q04771	ACVR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrazolo[1,5-a]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[1,5-a]pyrimidines"	"Enzyme Inhibitors; Protein Kinase Inhibitors; AMP-Activated Protein Kinases, antagonists & inhibitors"	C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1						99445068						CHEMBL478629	
DB08599	N-[(4-methoxyphenyl)sulfonyl]-D-alanine	BE0001198	MMP12	P39900	MMP12_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(O)=O						99445070							
DB08601	Tributyltin	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trialkyltins	Organic compounds; Organometallic compounds; Organo-post-transition metal compounds; Organotin compounds	Organometallic Compounds; Organotin Compounds	[H][Sn](CCCC)(CCCC)CCCC						99445072					Tributyltin		
DB08601	Tributyltin	BE0000412	RXRA	P19793	RXRA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Trialkyltins	Organic compounds; Organometallic compounds; Organo-post-transition metal compounds; Organotin compounds	Organometallic Compounds; Organotin Compounds	[H][Sn](CCCC)(CCCC)CCCC						99445072					Tributyltin		
DB08602	"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one"	BE0000706	PDE7A	Q13946	PDE7A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F						99445073						CHEMBL1236215	
DB08604	Triclosan	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Anti-Infective Agents; Medicated Dressings; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Ethers; Dermatologicals; Miscellaneous Local Anti-infectives; Benzene Derivatives; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Phenyl Ethers; Medicated Dressings With Antiinfectives; Antiseptics and Disinfectants"	OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1					2813	99445075	D06226				Triclosan	CHEMBL849	10795
DB08604	Triclosan	BE0000215	PPARG	P37231	PPARG_HUMAN		25314719	"Fang M, Webster TF, Ferguson PL, Stapleton HM: Characterizing the peroxisome proliferator-activated receptor (PPARgamma) ligand binding potential of several major flame retardants, their metabolites, and chemical mixtures in house dust. Environ Health Perspect. 2015 Feb;123(2):166-72. doi: 10.1289/ehp.1408522. Epub 2014 Oct 14."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Anti-Infective Agents; Medicated Dressings; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Ethers; Dermatologicals; Miscellaneous Local Anti-infectives; Benzene Derivatives; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Phenyl Ethers; Medicated Dressings With Antiinfectives; Antiseptics and Disinfectants"	OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1					2813	99445075	D06226				Triclosan	CHEMBL849	10795
DB08604	Triclosan	BE0000507	TPO	P07202	PERT_HUMAN	weak inhibitor	26865668	"Leonard JA, Tan YM, Gilbert M, Isaacs K, El-Masri H: Estimating Margin of Exposure to Thyroid Peroxidase Inhibitors Using High-Throughput in vitro Data, High-Throughput Exposure Modeling, and Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling. Toxicol Sci. 2016 May;151(1):57-70. doi: 10.1093/toxsci/kfw022. Epub 2016 Feb 10."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"Anti-Infective Agents; Medicated Dressings; Phenol and Derivatives; Anti-Infective Agents, Local; Phenols; Ethers; Dermatologicals; Miscellaneous Local Anti-infectives; Benzene Derivatives; Fatty Acid Synthesis Inhibitors; Hypolipidemic Agents; Phenyl Ethers; Medicated Dressings With Antiinfectives; Antiseptics and Disinfectants"	OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1					2813	99445075	D06226				Triclosan	CHEMBL849	10795
DB08608	"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE"	BE0004348	PDK2	Q15119	PDK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives		[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N						99445079						CHEMBL316388	
DB08609	"(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide"	BE0004348	PDK2	Q15119	PDK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1						99445080							
DB08610	N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE	BE0004348	PDK2	Q15119	PDK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1						99445081							
DB08611	"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL"	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives		OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1						99445082							
DB08613	"2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL"	BE0003523	HDAC4	P56524	HDAC4_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F						99445084							
DB08624	"1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine"	BE0003721	AHR	P35869	AHR_HUMAN		16705413	"Noguerol TN, Boronat S, Casado M, Raldua D, Barcelo D, Pina B: Evaluating the interactions of vertebrate receptors with persistent pollutants and antifouling pesticides using recombinant yeast assays. Anal Bioanal Chem. 2006 Jul;385(6):1012-9. Epub 2006 May 17."	Experimental	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles		N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1						99445095						CHEMBL2089125	
DB08626	Thiorphan	BE0000266	MME	P08473	NEP_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Protease Inhibitors; Amino Acids; Enzyme Inhibitors; Amino Acids, Sulfur; Sulfur Compounds; N-substituted Glycines; Amino Acids, Peptides, and Proteins"	[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O						99445097					Thiorphan	CHEMBL298827	
DB08629	"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE"	BE0003840	ATP5A1	P25705	ATPA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Diazinanes	Organic compounds; Organoheterocyclic compounds; Diazinanes		[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H]						99445100							
DB08631	"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines		ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1						99445102						CHEMBL286497	
DB08633	TNP-470	BE0001534	METAP2	P50579	MAP2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Carbamate esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Growth Inhibitors; Cycloparaffins; Sesquiterpenes; Angiogenesis Modulating Agents; Growth Substances; Angiogenesis Inhibitors; Antibiotics, Antineoplastic; Cyclohexanes; Antineoplastic Agents; Terpenes"	[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl						99445104						CHEMBL424278	
DB08642	"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine"	BE0000330	DHFR	P00374	DYR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines		COC1=CC(=CC(OC)=C1OC)N(C)C[C@H]1CCC2=C(C1)C(N)=N[C@H](N)N2						99445113							
DB08643	2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER	BE0001116	MMP3	P08254	MMP3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC						99445114							
DB08651	3'-THIO-THYMIDINE-5'-PHOSPHATE	BE0002425	TOP2B	Q02880	TOP2B_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2',3'-dideoxy-3'-thionucleoside monophosphates"	"Organic compounds; Nucleosides, nucleotides, and analogues; 2',3'-dideoxy-3'-thionucleoside monophosphates"		[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O						99445122							
DB08654	"TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL"	BE0000865	PNMT	P11086	PNMT_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Tetralins	Organic compounds; Benzenoids; Tetralins		[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O						99445125						CHEMBL46439	
DB08655	"9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE"	BE0004367	CREBBP	Q92793	CBP_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2						99445126						CHEMBL1236441	
DB08658	Ethyl hydrogen diethylamidophosphate	BE0002180	BCHE	P06276	CHLE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phosphoric monoester monoamides	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Organic phosphoramides		CCO[P@](O)(=O)N(CC)CC						99445129							
DB08674	"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE"	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams		[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1						99445145						CHEMBL496879	
DB08674	"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE"	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams		[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1						99445145						CHEMBL496879	
DB08675	"(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid"	BE0000117	PTGIS	Q16647	PTGIS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates		[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC						99445146							
DB08676	"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE"	BE0002373	FNTA	P49354	FNTA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3						99445147							
DB08676	"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE"	BE0002372	FNTB	P49356	FNTB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental				[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3						99445147							
DB08678	(4-ETHYLPHENYL)SULFAMIC ACID	BE0003769	PTPRB	P23467	PTPRB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides		CCC1=CC=C(NS(O)(=O)=O)C=C1						99445149							
DB08683	"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13						99445154						CHEMBL289422	
DB08687	FG-2216	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1						99445158						CHEMBL426560	
DB08687	FG-2216	BE0002374	HIF1A	Q16665	HIF1A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1						99445158						CHEMBL426560	
DB08688	2-Undecanone	BE0004376	ACOT13	Q9NPJ3	ACO13_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Insect Repellents; Pesticides; Protective Agents; Agrochemicals; Toxic Actions; Compounds used in a research, industrial, or household setting"	CCCCCCCCCC(C)=O						99445159					2-Undecanone	CHEMBL1236582	
DB08689	Ubiquinone Q1	BE0000176	SDHA	P31040	SDHA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ubiquinones	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	Benzoquinones; Quinones; Coenzymes; Enzymes and Coenzymes	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O						99445160						CHEMBL1236594	
DB08689	Ubiquinone Q1	BE0002254	SDHB	P21912	SDHB_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ubiquinones	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	Benzoquinones; Quinones; Coenzymes; Enzymes and Coenzymes	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O						99445160						CHEMBL1236594	
DB08690	Ubiquinone Q2	BE0003855	UQCRC2	P22695	QCR2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ubiquinones	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting"	COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O						99445161						CHEMBL1236595	1423925
DB08690	Ubiquinone Q2	BE0003860	UQCRB	P14927	QCR7_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Ubiquinones	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Antidotes; Coenzymes; Diet, Food, and Nutrition; Enzymes and Coenzymes; Protective Agents; Food; Micronutrients; Electron Transport Chain Complex Proteins; Compounds used in a research, industrial, or household setting"	COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O						99445161						CHEMBL1236595	1423925
DB08691	"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate"	BE0001824	CLK1	P49759	CLK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Indolecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives		CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2						99445162						CHEMBL1236620	
DB08699	"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"	BE0004384	CAMK2G	Q13555	KCC2G_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"Pyrazolo[3,4-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines; Pyrazolo[3,4-d]pyrimidines"		CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1						99445170						CHEMBL1236661	
DB08703	"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one"	BE0004386	MAP3K9	P80192	M3K9_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrrolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles		CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1						99445174							
DB08729	"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide"	BE0000182	PDE5A	O76074	PDE5A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazolopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyrimidines		CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O						99445200							
DB08730	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE	BE0001019	MAPK14	Q16539	MK14_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines		FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1						99445201						CHEMBL193264	
DB08733	"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE"	BE0003872	ADAM28	Q9UKQ2	ADA28_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C						99445204							
DB08737	"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL"	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	5-hydroxyflavonoids	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Hydroxyflavonoids		[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1						99445208							
DB08738	1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one	BE0002148	PREP	P48147	PPCE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1						99445209						CHEMBL459149	
DB08739	"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione"	BE0002148	PREP	P48147	PPCE_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides		[H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1						99445210						CHEMBL458975	
DB08740	"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE"	BE0000941	CTSD	P07339	CATD_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"1,3-aminoalcohols"	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines		[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C						99445211						CHEMBL35107	
DB08742	"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)"	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Steroids and steroid derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives		C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H]						99445213							
DB08742	"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)"	BE0000779	VDR	P11473	VDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Steroids and steroid derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives		C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H]						99445213							
DB08752	N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-carbamoyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N						99445223						CHEMBL1236882	
DB08755	N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	BE0001646	CTSS	P25774	CATS_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-carbamoyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N						99445226							
DB08756	Y-27632	BE0003762	PKIA	P61925	IPKA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylamides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides	"Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents"	[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N						99445227					Y-27632	CHEMBL559147	
DB08756	Y-27632	BE0001016	ROCK1	Q13464	ROCK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylamides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides	"Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents"	[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N						99445227					Y-27632	CHEMBL559147	
DB08756	Y-27632	BE0004191	ROCK2	O75116	ROCK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-arylamides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides	"Muscle Relaxants, Centrally Acting Agents; Cardiovascular Agents; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; Enzyme Inhibitors; Muscle Relaxants; Antihypertensive Agents; Peripheral Nervous System Agents"	[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N						99445227					Y-27632	CHEMBL559147	
DB08760	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	BE0000215	PPARG	P37231	PPARG_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives		[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O						99445231						CHEMBL364748	
DB08766	Zofenoprilat	BE0003882	LAP3	P28838	AMPL_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Imino Acids; Amino Acids, Cyclic; Amino Acids, Peptides, and Proteins"	C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1						99445237					Zofenoprilat	CHEMBL16332	
DB08771	"(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one"	BE0000329	HSD11B1	P28845	DHI1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aniline and substituted anilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines		CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O						99445242						CHEMBL392452	
DB08772	Zopolrestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phthalazinones	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Pyridazines; Heterocyclic Compounds, Fused-Ring; Thiazoles; Enzyme Inhibitors; Aldehyde Reductase, antagonists & inhibitors; Aldose Reductase Inhibitors; Blood Glucose Lowering Agents"	OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2						99445243						CHEMBL10372	
DB08773	2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol	BE0000123	ESR1	P03372	ESR1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-benzothiophenes	Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes		OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2						99445244						CHEMBL431698	
DB08773	2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	1-benzothiophenes	Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes		OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2						99445244						CHEMBL431698	
DB08774	"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		[H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1						99445245						CHEMBL562314	
DB08776	"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	N-acetylarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides		CC(=O)NC1=NC2=C(S1)C(=O)NCCC2						99445247						CHEMBL562743	
DB08777	"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Thienopyrimidines	Organic compounds; Organoheterocyclic compounds; Thienopyrimidines		O=C1NC=NC2=C1C1=C(CCCC1)S2						99445248						CHEMBL539906	
DB08778	"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds		CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1						99445249						CHEMBL570537	
DB08779	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	"2,4,5-trisubstituted imidazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles		CSC1=NC(O)=C(CC2=CC=CS2)N1						99445250							
DB08780	6-MORPHOLIN-4-YL-9H-PURINE	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	6-alkylaminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives		C1CN(CCO1)C1=C2N=CNC2=NC=N1						99445251						CHEMBL271138	
DB08781	"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE"	BE0003382	CHEK1	O14757	CHK1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines		[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2						99445252							
DB08783	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid	BE0000623	PTPN1	P18031	PTN1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Selenium Compounds	[H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC						99445254							
DB08784	2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID	BE0004420	NMRAL1	Q9HBL8	NMRL1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Pyridinecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives		OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1						99445255						CHEMBL1237007	
DB08786	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Aminopyrimidines and derivatives	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		COCCOC1=NC(N)=NC(C)=C1						99445257						CHEMBL538937	
DB08787	"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1						99445258						CHEMBL549340	
DB08788	"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines		CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O						99445259						CHEMBL554496	
DB08789	"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE"	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives		CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1						99445260						CHEMBL563168	
DB08791	"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE"	BE0000915	MET	P08581	MET_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides		NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O						99445262						CHEMBL561660	
DB08799	Antazoline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	16129921	"Swiader MJ, Luszczki JJ, Wielosz M, Czuczwar SJ: Effect of histamine receptor antagonists on aminophylline-induced seizures and lethality in mice. Pharmacol Rep. 2005 Jul-Aug;57(4):531-5."	Approved	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	"Anti-Allergic Agents; Antiallergic Agents, Excl. Corticosteroids; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Imidazoles; Moderate Risk QTc-Prolonging Agents; Antihistamines for Systemic Use; Histamine Agents; Nasal Preparations"	C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1		Antazoline H1-Antihistamine Action	drug_action		4165	99445269	D07458	PA165958418			Antazoline	CHEMBL1305	865
DB08800	Chloropyramine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	19610651	"Kurenova EV, Hunt DL, He D, Magis AT, Ostrov DA, Cance WG: Small molecule chloropyramine hydrochloride (C4) targets the binding site of focal adhesion kinase and vascular endothelial growth factor receptor 3 and suppresses breast cancer growth in vivo. J Med Chem. 2009 Aug 13;52(15):4716-24. doi: 10.1021/jm900159g."	Experimental	2-benzylaminopyridines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylamines	"Amines; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Systemic Use; Dermatologicals; Antihistamines for Topical Use; Histamine Agents; Polyamines; Substituted Ethylene Diamines; Diamines"	CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1		Chloropyramine H1-Antihistamine Action	drug_action			99445270	D07195	PA165958419			Chloropyramine	CHEMBL1194287	20861
DB08801	Dimetindene	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	20800486; 8608784; 11190775; 1973583; 2862878; 12477078; 1492845; 3691636; 14579656; 2881575; 7512805; 2096106; 1360248	"Moree WJ, Li BF, Zamani-Kord S, Yu J, Coon T, Huang C, Marinkovic D, Tucci FC, Malany S, Bradbury MJ, Hernandez LM, Wen J, Wang H, Hoare SR, Petroski RE, Jalali K, Yang C, Sacaan A, Madan A, Crowe PD, Beaton G: Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5874-8. doi: 10.1016/j.bmcl.2010.07.117.  Epub 2010 Aug 3.@@Pfaff O, Hildebrandt C, Waelbroeck M, Hou X, Moser U, Mutschler E, Lambrecht G: The (S)-(+)-enantiomer of dimethindene: a novel M2-selective muscarinic receptor antagonist. Eur J Pharmacol. 1995 Nov 24;286(3):229-40.@@Horak F, Unkauf M, Beckers C, Mittermaier EM: Efficacy and tolerability of intranasally applied dimetindene maleate solution versus placebo in the treatment of seasonal allergic rhinitis. Arzneimittelforschung. 2000 Dec;50(12):1099-105. doi: 10.1055/s-0031-1300341.@@Rehn D, Geissler H, Schonbrunn U, Lukas H, Hennings G: Effect-time-relation of the H1-receptor antagonist dimethindene maleate following intravenous injection. Agents Actions. 1990 Apr;30(1-2):178-81. doi: 10.1007/BF01969031.@@Rehn D, Haack D, Vecsei P, Hennings G: The influence of dimetindene maleate on the endogenous hydrocortisone synthesis suppressing potency of betamethasone. Arzneimittelforschung. 1985;35(6):970-2.@@Duda D, Lorenz W, Celik I: Histamine release in mesenteric traction syndrome during abdominal aortic aneurysm surgery: prophylaxis with H1 and H2 antihistamines. Inflamm Res. 2002 Oct;51(10):495-9. doi: 10.1007/pl00012418.@@Schaffler K, Wauschkuhn CH, Brunnauer H, Rehn D: Evaluation of the local anaesthetic activity of dimetindene maleate by means of laser algesimetry in healthy volunteers. Arzneimittelforschung. 1992 Nov;42(11):1332-5.@@Rubinstein R, Nissenkorn I, Cohen S: Acetylcholine mediation of the contractile response to histamine in human bladder detrusor muscle. Eur J Pharmacol. 1987 Oct 6;142(1):45-50. doi: 10.1016/0014-2999(87)90652-2.@@Kirchhoff CH, Kremer B, Haaf-von Below S, Kyrein HJ, Mosges R: Effects of dimethindene maleate nasal spray on the quality of life in seasonal allergic rhinitis. Rhinology. 2003 Sep;41(3):159-66.@@Humphreys F, Shuster S: The effect of topical dimethindene maleate on weal reactions. Br J Clin Pharmacol. 1987 Feb;23(2):234-6. doi: 10.1111/j.1365-2125.1987.tb03035.x.@@Doenicke A, Moss J, Lorenz W, Hoernecke R, Gottardis M: Are hypotension and rash after atracurium really caused by histamine release? Anesth Analg. 1994 May;78(5):967-72. doi: 10.1213/00000539-199405000-00023.@@Rehn D, Geissler H, Schuster O, Lukas H, Hennings G: Effect-kinetic characterization of dimethindene maleate following oral administration (Fenistil, Tropfen). Fundam Clin Pharmacol. 1990;4(6):673-83. doi: 10.1111/j.1472-8206.1990.tb00047.x.@@Casy AF, Drake AF, Ganellin CR, Mercer AD, Upton C: Stereochemical studies of chiral H-1 antagonists of histamine: the resolution, chiral analysis, and biological evaluation of four antipodal pairs. Chirality. 1992;4(6):356-66. doi: 10.1002/chir.530040606."	Approved; Investigational	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes	"Anticholinergic Agents; Anti-Allergic Agents; Muscarinic Antagonists; Histamine Antagonists; Substituted Alkylamines; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Indenes; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Pyridines"	CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1		Dimetindene H1-Antihistamine Action	drug_action			99445271	D07853	PA165958420			Dimetindene	CHEMBL22108	3449
DB08801	Dimetindene	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	8608784	"Pfaff O, Hildebrandt C, Waelbroeck M, Hou X, Moser U, Mutschler E, Lambrecht G: The (S)-(+)-enantiomer of dimethindene: a novel M2-selective muscarinic receptor antagonist. Eur J Pharmacol. 1995 Nov 24;286(3):229-40."	Approved; Investigational	Indenes and isoindenes	Organic compounds; Benzenoids; Indenes and isoindenes	"Anticholinergic Agents; Anti-Allergic Agents; Muscarinic Antagonists; Histamine Antagonists; Substituted Alkylamines; Antipruritics; Neurotransmitter Agents; Histamine H1 Antagonists; Indenes; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Pyridines"	CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1		Dimetindene H1-Antihistamine Action	drug_action			99445271	D07853	PA165958420			Dimetindene	CHEMBL22108	3449
DB08802	Isothipendyl	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	8546983	"Moreau A, Dompmartin A, Dubreuil A, Leroy D: Phototoxic and photoprotective effects of topical isothipendyl. Photodermatol Photoimmunol Photomed. 1995 Apr;11(2):50-4."	Experimental	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"Phenothiazine Derivatives; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Sulfur Compounds; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Systemic Use; Dermatologicals; Antihistamines for Topical Use; Histamine Agents"	CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C		Isothipendyl H1-Antihistamine Action	drug_action			99445272	D08091	PA165958421			Isothipendyl	CHEMBL2111066	28012
DB08804	Nandrolone decanoate	BE0004881	HTR2A	P28335	5HT2C_HUMAN	modulator	12763073	"Kindlundh AM, Lindblom J, Bergstrom L, Nyberg F: The anabolic-androgenic steroid nandrolone induces alterations in the density of serotonergic 5HT1B and 5HT2 receptors in the male rat brain. Neuroscience. 2003;119(1):113-20. doi: 10.1016/s0306-4522(03)00120-9."	Approved; Illicit	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7464	99445274	D00955	PA165958423		DAP000903	Nandrolone_decanoate	CHEMBL1200946	31494
DB08804	Nandrolone decanoate	BE0000858	IGF1R	P08069	IGF1R_HUMAN	inducer	10642358	"Gayan-Ramirez G, Rollier H, Vanderhoydonc F, Verhoeven G, Gosselink R, Decramer M: Nandrolone decanoate does not enhance training effects but increases IGF-I mRNA in rat diaphragm. J Appl Physiol (1985). 2000 Jan;88(1):26-34. doi: 10.1152/jappl.2000.88.1.26."	Approved; Illicit	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; UGT2B7 substrates; Nandrolone and esters; Thyroxine-binding globulin inhibitors; Estrenes; Estranes; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; UGT1A3 substrates; Gonadal Steroid Hormones; UGT1A4 substrates; UGT1A1 Substrates; Bone Density Conservation Agents; Anabolic Agents; Testosterone Congeners; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]					7464	99445274	D00955	PA165958423		DAP000903	Nandrolone_decanoate	CHEMBL1200946	31494
DB08805	Metiamide	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	7725982	"Black JW, Duncan WA, Emmett JC, Ganellin CR, Hesselbo T, Parsons ME, Wyllie JH: Metiamide--an orally active histamine H2-receptor antagonist. 1973. Agents Actions. 1994 Dec;43(3-4):91-5; discussion 96."	Experimental	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Sulfur Compounds; Histamine Agents; Amides; Thiourea; Gastrointestinal Agents	CNC(=S)NCCSCC1=C(C)NC=N1		Metiamide Action Pathway	drug_action			99445275	D05004				Metiamide	CHEMBL275446	
DB08806	Roxatidine acetate	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	20718616	"Agrawal SS, Alvin Jose M: Roxatidine, an H(2) receptor blocker, is an estrogenic compound--experimental evidence. Syst Biol Reprod Med. 2010 Aug;56(4):286-91. doi: 10.3109/19396368.2010.496894."	Experimental	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Anti-Ulcer Agents; Histamine H2 Antagonists; Acid Reducers; Gastric Acid Lowering Agents; Histamine Antagonists; Neurotransmitter Agents; Drugs for Acid Related Disorders; Histamine Agents; Gastrointestinal Agents; Alimentary Tract and Metabolism	CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1		Roxatidine Acetate Action Pathway	drug_action			99445276	D08495	PA165958424			Roxatidine_acetate	CHEMBL46102	114817
DB08810	Cinitapride	BE0000084	HTR4	Q13639	5HT4R_HUMAN	agonist	9211565; 9562338	"Alarcon-de-la-Lastra Romero C, Lopez A, Martin MJ, la Casa C, Motilva V: Cinitapride protects against ethanol-induced gastric mucosal injury in rats: role of 5-hydroxytryptamine, prostaglandins and sulfhydryl compounds. Pharmacology. 1997 Apr;54(4):193-202.@@Alarcon de la Lastra C, La Casa C, Martin MJ, Motilva V: Effects of cinitapride on gastric ulceration and secretion in rats. Inflamm Res. 1998 Mar;47(3):131-6."	Investigational	Nitrophenyl ethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin Receptor Agonists; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Benzene Derivatives; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Gastrointestinal Agents; Antidepressive Agents; Anti-Ulcer Agents; Central Nervous System Depressants; Benzoates; Alimentary Tract and Metabolism; Acids, Carbocyclic; Agents that produce hypertension; Propulsives; Serotonin Agents; Drugs for Functional Gastrointestinal Disorders"	CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O						175427098	D07700	PA165958427			Cinitapride	CHEMBL2104523	21125
DB08811	Tofisopam	BE0001133	PDE4A	P27815	PDE4A_HUMAN	inhibitor	20967473	"Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22."	Experimental	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents"	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1						175427099	D01254	PA165958428			Tofisopam	CHEMBL404216	38365
DB08811	Tofisopam	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN	inhibitor	20967473	"Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22."	Experimental	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents"	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1						175427099	D01254	PA165958428			Tofisopam	CHEMBL404216	38365
DB08811	Tofisopam	BE0000436	PDE3A	Q14432	PDE3A_HUMAN	inhibitor	20967473	"Rundfeldt C, Socala K, Wlaz P: The atypical anxiolytic drug, tofisopam, selectively blocks phosphodiesterase isoenzymes and is active in the mouse model of negative symptoms of psychosis. J Neural Transm (Vienna). 2010 Nov;117(11):1319-25. doi: 10.1007/s00702-010-0507-3. Epub 2010 Oct 22."	Experimental	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Stereoisomerism; Benzazepines; Psycholeptics; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Psychotropic Drugs; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Nervous System; Antidepressive Agents"	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1						175427099	D01254	PA165958428			Tofisopam	CHEMBL404216	38365
DB08813	Nadroparin	BE0001159	SELP	P16109	LYAM3_HUMAN	inhibitor	17629851; 16525583	"Simonis D, Christ K, Alban S, Bendas G: Affinity and kinetics of different heparins binding to P- and L-selectin. Semin Thromb Hemost. 2007 Jul;33(5):534-9.@@Ludwig RJ, Alban S, Bistrian R, Boehncke WH, Kaufmann R, Henschler R, Gille J: The ability of different forms of heparins to suppress P-selectin function in vitro correlates to their inhibitory capacity on bloodborne metastasis in vivo. Thromb Haemost. 2006 Mar;95(3):535-40."	Approved; Investigational			Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents						11714	347910374					Nadroparin_calcium		67031
DB08813	Nadroparin	BE0004689	MYC	P01106	MYC_HUMAN	inhibitor	19757196; 19261492	"Nagy Z, Turcsik V, Blasko G: The effect of LMWH (Nadroparin) on tumor progression. Pathol Oncol Res. 2009 Dec;15(4):689-92. doi: 10.1007/s12253-009-9204-7.@@Sustar V, Jansa R, Frank M, Hagerstrand H, Krzan M, Iglic A, Kralj-Iglic V: Suppression of membrane microvesiculation--a possible anticoagulant and anti-tumor progression effect of heparin. Blood Cells Mol Dis. 2009 May-Jun;42(3):223-7. doi: 10.1016/j.bcmd.2009.01.012. Epub 2009 Mar 3."	Approved; Investigational			Heparin (Low Molecular Weight); Cardiovascular Agents; Glycosaminoglycans; Agents causing hyperkalemia; Blood and Blood Forming Organs; Carbohydrates; Heparin and similars; Anticoagulants; Hematologic Agents; Polysaccharides; Fibrin Modulating Agents						11714	347910374					Nadroparin_calcium		67031
DB08814	Triflusal	BE0001086	NFKB1	P19838	NFKB1_HUMAN	antagonist	15678110; 19465361; 18317243; 17194886	"Zhang W, Potrovita I, Tarabin V, Herrmann O, Beer V, Weih F, Schneider A, Schwaninger M: Neuronal activation of NF-kappaB contributes to cell death in cerebral ischemia. J Cereb Blood Flow Metab. 2005 Jan;25(1):30-40.@@Anninos H, Andrikopoulos G, Pastromas S, Sakellariou D, Theodorakis G, Vardas P: Triflusal: an old drug in modern antiplatelet therapy. Review of its action, use, safety and effectiveness. Hellenic J Cardiol. 2009 May-Jun;50(3):199-207.@@Gomez-Isla T, Blesa R, Boada M, Clarimon J, Del Ser T, Domenech G, Ferro JM, Gomez-Anson B, Manubens JM, Martinez-Lage JM, Munoz D, Pena-Casanova J, Torres F: A randomized, double-blind, placebo controlled-trial of triflusal in mild cognitive impairment: the TRIMCI study. Alzheimer Dis Assoc Disord. 2008 Jan-Mar;22(1):21-9. doi: 10.1097/WAD.0b013e3181611024.@@Whitehead SN, Bayona NA, Cheng G, Allen GV, Hachinski VC, Cechetto DF: Effects of triflusal and aspirin in a rat model of cerebral ischemia. Stroke. 2007 Feb;38(2):381-7. Epub 2006 Dec 28."	Approved; Investigational	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hydroxy Acids; Anticoagulants; Hematologic Agents; Phenols; Platelet Aggregation Inhibitors Excl. Heparin; Hydroxybenzoates; Benzene Derivatives; Antiplatelet agents"	CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O						347827803					Triflusal	CHEMBL1332032	38655
DB08814	Triflusal	BE0000631	PDE10A	Q9Y233	PDE10_HUMAN	antagonist	9617597; 10998082	"McNeely W, Goa KL: Triflusal. Drugs. 1998 Jun;55(6):823-33; discussion 834-5.@@De Miguel LS, Jimenez A, Monton M, Farre J, Del Mar Arriero M, Rodriguez-Feo JA, Garcia-Canete J, Rico L, Gomez J, Nunez A, Casado S, Farre AL: A 4-trifluoromethyl derivative of salicylate, triflusal, stimulates nitric oxide production by human neutrophils: role in platelet function. Eur J Clin Invest. 2000 Sep;30(9):811-7."	Approved; Investigational	Acylsalicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Benzoates; Acids, Carbocyclic; Blood and Blood Forming Organs; Hydroxy Acids; Anticoagulants; Hematologic Agents; Phenols; Platelet Aggregation Inhibitors Excl. Heparin; Hydroxybenzoates; Benzene Derivatives; Antiplatelet agents"	CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O						347827803					Triflusal	CHEMBL1332032	38655
DB08815	Lurasidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	23545936	"George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Isoindoles; Neurotransmitter Agents; Indole Derivatives; Nervous System; Sulfur Compounds; Adrenergic Agents; Dopamine Agents"	[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O					21372	175427100	D04820	PA166129557			Lurasidone	CHEMBL1237021	1040028
DB08815	Lurasidone	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	23545936	"George M, Amrutheshwar R, Rajkumar RP, Kattimani S, Dkhar SA: Newer antipsychotics and upcoming molecules for schizophrenia. Eur J Clin Pharmacol. 2013 Aug;69(8):1497-509. doi: 10.1007/s00228-013-1498-4. Epub 2013 Apr 2."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Adrenergic alpha-2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Antipsychotic Agents; Thiazoles; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Isoindoles; Neurotransmitter Agents; Indole Derivatives; Nervous System; Sulfur Compounds; Adrenergic Agents; Dopamine Agents"	[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O					21372	175427100	D04820	PA166129557			Lurasidone	CHEMBL1237021	1040028
DB08816	Ticagrelor	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	inhibitor	26063049; 30883047	"Teng R: Ticagrelor: Pharmacokinetic, Pharmacodynamic and Pharmacogenetic Profile: An Update. Clin Pharmacokinet. 2015 Nov;54(11):1125-38. doi: 10.1007/s40262-015-0290-2.@@Bhatt DL, Pollack CV, Weitz JI, Jennings LK, Xu S, Arnold SE, Umstead BR, Mays MC, Lee JS: Antibody-Based Ticagrelor Reversal Agent in Healthy Volunteers. N Engl J Med. 2019 May 9;380(19):1825-1833. doi: 10.1056/NEJMoa1901778. Epub 2019 Mar 17."	Approved	Triazolopyrimidines	Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines	"Purinergic P2Y Receptor Antagonists; Ribonucleosides; Purines; Glycosides; Nucleosides; Carbohydrates; Anticoagulants; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Purinergic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; P2Y12 Platelet Inhibitor; Cytochrome P-450 CYP3A4 Inhibitors; Antiplatelet agents; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Phenylalanine Hydroxylase Activators; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Nucleic Acids, Nucleotides, and Nucleosides; Cytochrome P-450 CYP3A4 Substrates; Purinergic P2 Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers (weak); Decreased Platelet Aggregation; Cytochrome P-450 CYP2C9 Inducers (weak); Hematologic Agents; Cytochrome P-450 CYP2C9 Inducers; Purinergic Antagonists"	CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1					20742	175427101	D09017	PA165374673			Ticagrelor	CHEMBL398435	1116632
DB08818	Hyaluronic acid	BE0001113	CD44	P16070	CD44_HUMAN	binder	15725890; 7542594; 10871609; 31294035	"Higa K, Shimmura S, Shimazaki J, Tsubota K: Hyaluronic acid-CD44 interaction mediates the adhesion of lymphocytes by amniotic membrane stroma. Cornea. 2005 Mar;24(2):206-12. doi: 10.1097/01.ico.0000133999.45262.83.@@Uff CR, Neame SJ, Isacke CM: Hyaluronan binding by CD44 is regulated by a phosphorylation-independent mechanism. Eur J Immunol. 1995 Jul;25(7):1883-7. doi: 10.1002/eji.1830250714.@@Lesley J, Hascall VC, Tammi M, Hyman R: Hyaluronan binding by cell surface CD44. J Biol Chem. 2000 Sep 1;275(35):26967-75. doi: 10.1074/jbc.M002527200.@@Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004702	HMMR	O75330	HMMR_HUMAN	binder	21947782; 31294035; 21914806	"Hatano H, Shigeishi H, Kudo Y, Higashikawa K, Tobiume K, Takata T, Kamata N: Overexpression of receptor for hyaluronan-mediated motility (RHAMM) in MC3T3-E1 cells induces proliferation and differentiation through phosphorylation of ERK1/2. J Bone Miner Metab. 2012 May;30(3):293-303. doi: 10.1007/s00774-011-0318-0. Epub 2011 Sep 27.@@Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.@@Kouvidi K, Berdiaki A, Nikitovic D, Katonis P, Afratis N, Hascall VC, Karamanos NK, Tzanakakis GN: Role of receptor for hyaluronic acid-mediated motility (RHAMM) in low molecular weight hyaluronan (LMWHA)-mediated fibrosarcoma cell adhesion. J Biol Chem. 2011 Nov 4;286(44):38509-20. doi: 10.1074/jbc.M111.275875. Epub 2011 Sep 13."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004512	NCAN	O14594	NCAN_HUMAN	binder	7595522; 11486035	"Meyer-Puttlitz B, Milev P, Junker E, Zimmer I, Margolis RU, Margolis RK: Chondroitin sulfate and chondroitin/keratan sulfate proteoglycans of nervous tissue: developmental changes of neurocan and phosphacan. J Neurochem. 1995 Nov;65(5):2327-37. doi: 10.1046/j.1471-4159.1995.65052327.x.@@Zhou XH, Brakebusch C, Matthies H, Oohashi T, Hirsch E, Moser M, Krug M, Seidenbecher CI, Boeckers TM, Rauch U, Buettner R, Gundelfinger ED, Fassler R: Neurocan is dispensable for brain development. Mol Cell Biol. 2001 Sep;21(17):5970-8. doi: 10.1128/mcb.21.17.5970-5978.2001."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004606	VCAN	P13611	CSPG2_HUMAN	binder	16045811; 17363913	"Wu YJ, La Pierre DP, Wu J, Yee AJ, Yang BB: The interaction of versican with its binding partners. Cell Res. 2005 Jul;15(7):483-94. doi: 10.1038/sj.cr.7290318.@@Hasegawa K, Yoneda M, Kuwabara H, Miyaishi O, Itano N, Ohno A, Zako M, Isogai Z: Versican, a major hyaluronan-binding component in the dermis, loses its hyaluronan-binding ability in solar elastosis. J Invest Dermatol. 2007 Jul;127(7):1657-63. doi: 10.1038/sj.jid.5700754. Epub 2007 Mar 15."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004933	HAPLN1	P10915	HPLN1_HUMAN	binder	12663660; 9288901	"Spicer AP, Joo A, Bowling RA Jr: A hyaluronan binding link protein gene family whose members are physically linked adjacent to chondroitin sulfate proteoglycan core protein genes: the missing links. J Biol Chem. 2003 Jun 6;278(23):21083-91. Epub 2003 Mar 27.@@Arming S, Strobl B, Wechselberger C, Kreil G: In vitro mutagenesis of PH-20 hyaluronidase from human sperm. Eur J Biochem. 1997 Aug 1;247(3):810-4."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004935	HAPLN3	Q96S86	HPLN3_HUMAN	binder	12663660; 6715345	"Spicer AP, Joo A, Bowling RA Jr: A hyaluronan binding link protein gene family whose members are physically linked adjacent to chondroitin sulfate proteoglycan core protein genes: the missing links. J Biol Chem. 2003 Jun 6;278(23):21083-91. Epub 2003 Mar 27.@@Buckwalter JA, Rosenberg LC, Tang LH: The effect of link protein on proteoglycan aggregate structure. An electron microscopic study of the molecular architecture and dimensions of proteoglycan aggregates reassembled from the proteoglycan monomers and link proteins of bovine fetal epiphyseal cartilage. J Biol Chem. 1984 May 10;259(9):5361-3."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004940	HABP2	Q14520	HABP2_HUMAN	binder	8827452; 11217080; 21571904	"Choi-Miura NH, Tobe T, Sumiya J, Nakano Y, Sano Y, Mazda T, Tomita M: Purification and characterization of a novel hyaluronan-binding protein (PHBP) from human plasma: it has three EGF, a kringle and a serine protease domain, similar to hepatocyte growth factor activator. J Biochem. 1996 Jun;119(6):1157-65.@@Choi-Miura NH, Yoda M, Saito K, Takahashi K, Tomita M: Identification of the substrates for plasma hyaluronan binding protein. Biol Pharm Bull. 2001 Feb;24(2):140-3.@@Lennon FE, Singleton PA: Role of hyaluronan and hyaluronan-binding proteins in lung pathobiology. Am J Physiol Lung Cell Mol Physiol. 2011 Aug;301(2):L137-47. doi: 10.1152/ajplung.00071.2010. Epub 2011 May 13."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004948	STAB2	Q8WWQ8	STAB2_HUMAN	binder	11829752; 12626425; 17145755; 18434317	"Politz O, Gratchev A, McCourt PA, Schledzewski K, Guillot P, Johansson S, Svineng G, Franke P, Kannicht C, Kzhyshkowska J, Longati P, Velten FW, Johansson S, Goerdt S: Stabilin-1 and -2 constitute a novel family of fasciclin-like hyaluronan receptor homologues. Biochem J. 2002 Feb 15;362(Pt 1):155-64.@@Zhou B, McGary CT, Weigel JA, Saxena A, Weigel PH: Purification and molecular identification of the human hyaluronan receptor for endocytosis. Glycobiology. 2003 May;13(5):339-49. Epub 2002 Dec 17.@@Harris EN, Kyosseva SV, Weigel JA, Weigel PH: Expression, processing, and glycosaminoglycan binding activity of the recombinant human 315-kDa hyaluronic acid receptor for endocytosis (HARE). J Biol Chem. 2007 Feb 2;282(5):2785-97. Epub 2006 Dec 4.@@Harris EN, Weigel JA, Weigel PH: The human hyaluronan receptor for endocytosis (HARE/Stabilin-2) is a systemic clearance receptor for heparin. J Biol Chem. 2008 Jun 20;283(25):17341-50. doi: 10.1074/jbc.M710360200. Epub 2008 Apr 22."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004942	IMPG2	Q9BZV3	IMPG2_HUMAN	binder	10702256	"Acharya S, Foletta VC, Lee JW, Rayborn ME, Rodriguez IR, Young WS 3rd, Hollyfield JG: SPACRCAN, a novel human interphotoreceptor matrix hyaluronan-binding proteoglycan synthesized by photoreceptors and pinealocytes. J Biol Chem. 2000 Mar 10;275(10):6945-55."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0004943	HABP4	Q5JVS0	HABP4_HUMAN	binder	10887182	"Huang L, Grammatikakis N, Yoneda M, Banerjee SD, Toole BP: Molecular characterization of a novel intracellular hyaluronan-binding protein. J Biol Chem. 2000 Sep 22;275(38):29829-39."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08818	Hyaluronic acid	BE0010044	LYVE1	Q9Y5Y7	LYVE1_HUMAN		31294035; 26823460	"Gupta RC, Lall R, Srivastava A, Sinha A: Hyaluronic Acid: Molecular Mechanisms and Therapeutic Trajectory. Front Vet Sci. 2019 Jun 25;6:192. doi: 10.3389/fvets.2019.00192. eCollection 2019.@@Lawrance W, Banerji S, Day AJ, Bhattacharjee S, Jackson DG: Binding of Hyaluronan to the Native Lymphatic Vessel Endothelial Receptor LYVE-1 Is Critically Dependent on Receptor Clustering and Hyaluronan Organization. J Biol Chem. 2016 Apr 8;291(15):8014-30. doi: 10.1074/jbc.M115.708305. Epub 2016 Jan 28."	Approved; Vet_approved	Acylaminosugars	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Lubricants; Carbohydrates; Protective Agents; Adjuvants, Immunologic; Dermatologicals; Viscoelastic Substances; Immunologic Factors; Biocompatible Materials; Cicatrizants; Nasal Preparations; Surgical Aids; Musculo-Skeletal System; Viscosupplements; Compounds used in a research, industrial, or household setting; Glycosaminoglycans; Preparations for Treatment of Wounds and Ulcers; Ophthalmologicals; Polysaccharides; Sensory Organs"	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O					1954	310264899	D08043	PA165958431			Sodium_hyaluronate		5463
DB08819	Tafluprost	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist	21858491	"Pantcheva MB, Seibold LK, Awadallah NS, Kahook MY: Tafluprost: a novel prostaglandin analog for treatment of glaucoma. Adv Ther. 2011 Sep;28(9):707-15. doi: 10.1007/s12325-011-0055-8. Epub 2011 Aug 18."	Approved	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Biological Factors; Ophthalmologicals; Prostaglandins; Lipids; Autacoids; Prostaglandin Receptor Agonists; Antiglaucoma Preparations and Miotics; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids; Increased Prostaglandin Activity; Eicosanoids; Fatty Acids, Unsaturated; Prostaglandins, Synthetic; Sensory Organs; Ophthalmics"	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1					22289	175427102	D06274	PA165958432			Tafluprost	CHEMBL1963683	1244607
DB08820	Ivacaftor	BE0001195	CFTR	P13569	CFTR_HUMAN	potentiator	22293084; 27636560	"Yu H, Burton B, Huang CJ, Worley J, Cao D, Johnson JP Jr, Urrutia A, Joubran J, Seepersaud S, Sussky K, Hoffman BJ, Van Goor F: Ivacaftor potentiation of multiple CFTR channels with gating mutations. J Cyst Fibros. 2012 May;11(3):237-45. doi: 10.1016/j.jcf.2011.12.005. Epub 2012 Jan 30.@@Fohner AE, McDonagh EM, Clancy JP, Whirl Carrillo M, Altman RB, Klein TE: PharmGKB summary: ivacaftor pathway, pharmacokinetics/pharmacodynamics. Pharmacogenet Genomics. 2017 Jan;27(1):39-42. doi: 10.1097/FPC.0000000000000246."	Approved	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Amines; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Benzene Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Chloride Channel Activation Potentiators; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cystic Fibrosis Transmembrane Conductance Regulator Potentiators; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Chloride Channel Agonists; Quinolines"	CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C					21511	175427103	D09916	PA165950341			Ivacaftor	CHEMBL2010601	1243041
DB08827	Lomitapide	BE0000232	MTTP	P55157	MTP_HUMAN	antagonist			Approved; Investigational	Fluorenes	Organic compounds; Benzenoids; Fluorenes	"Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Lipid Modifying Agents; Microsomal Triglyceride Transfer Protein Inhibitor; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; Hepatotoxic Agents; Microsomal Triglyceride Transfer Protein Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12					22241	175427108	D09637	PA166114922			Lomitapide	CHEMBL354541	1364479
DB08828	Vismodegib	BE0004659	SMO	Q99835	SMO_HUMAN	antagonist	23662017; 24350028	"Sandhiya S, Melvin G, Kumar SS, Dkhar SA: The dawn of hedgehog inhibitors: Vismodegib. J Pharmacol Pharmacother. 2013 Jan;4(1):4-7. doi: 10.4103/0976-500X.107628.@@Aditya S, Rattan A: Vismodegib: A smoothened inhibitor for the treatment of advanced basal cell carcinoma. Indian Dermatol Online J. 2013 Oct;4(4):365-8. doi: 10.4103/2229-5178.120685."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Amines; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Aniline Compounds; Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Hedgehog pathway inhibitors	CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1					22125	175427109	D09992	PA166048558			Vismodegib	CHEMBL473417	1242987
DB08834	Tauroursodeoxycholic acid	BE0008988	ITGA5	P08648	ITA5_HUMAN	activator	24891994; 23456677	"Vang S, Longley K, Steer CJ, Low WC: The Unexpected Uses of Urso- and Tauroursodeoxycholic Acid in the Treatment of Non-liver Diseases. Glob Adv Health Med. 2014 May;3(3):58-69. doi: 10.7453/gahmj.2014.017.@@Beuers U: beta1 integrin is a long-sought sensor for tauroursodeoxycholic acid. Hepatology. 2013 Mar;57(3):867-9. doi: 10.1002/hep.26228."	Approved; Investigational	Taurinated bile acids and derivatives	"Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives"	Taurodeoxycholic Acid; Bile Acids and Salts; Cholic Acids; Isomerism; Cholanes; Cholagogues and Choleretics; Sulfur Compounds; Gastrointestinal Agents	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C					23741	175427112					Ursodoxicoltaurine	CHEMBL272427	2613950
DB08835	Spaglumic acid	BE0000568	FOLH1	Q04609	FOLH1_HUMAN	ligand	24508213	"Bandari RP, Jiang Z, Reynolds TS, Bernskoetter NE, Szczodroski AF, Bassuner KJ, Kirkpatrick DL, Rold TL, Sieckman GL, Hoffman TJ, Connors JP, Smith CJ: Synthesis and biological evaluation of copper-64 radiolabeled [DUPA-6-Ahx-(NODAGA)-5-Ava-BBN(7-14)NH2], a novel bivalent targeting vector having affinity for two distinct biomarkers (GRPr/PSMA) of prostate cancer. Nucl Med Biol. 2014 Apr;41(4):355-63. doi: 10.1016/j.nucmedbio.2014.01.001. Epub  2014 Jan 10."	Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Antiallergic Agents, Excl. Corticosteroids; Decongestants and Antiallergics; Ophthalmologicals; Nasal Preparations; Sensory Organs; Mast Cell Stabilizers"	CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O						175427113	D07374				N-Acetylaspartylglutamic_acid	CHEMBL2105616	
DB08836	Temocapril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	8513851	"Furuta S, Kiyosawa K, Higuchi M, Kasahara H, Saito H, Shioya H, Oguchi H: Pharmacokinetics of temocapril, an ACE inhibitor with preferential biliary excretion, in patients with impaired liver function. Eur J Clin Pharmacol. 1993;44(4):383-5."	Experimental; Investigational	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Thiepins; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; OATP1B1/SLCO1B1 Substrates; Sulfur Compounds; Angiotensin-Converting Enzyme Inhibitors; Azepines	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1		Temocapril Metabolism Pathway; Temocapril Action Pathway	drug_metabolism; drug_action			175427114	D08566				Temocapril	CHEMBL2110627	
DB08838	Agmatine	BE0003580	NISCH	Q9Y2I1	NISCH_HUMAN	agonist	7906055	"Li G, Regunathan S, Barrow CJ, Eshraghi J, Cooper R, Reis DJ: Agmatine: an endogenous clonidine-displacing substance in the brain. Science. 1994 Feb 18;263(5149):966-9."	Experimental	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates	NCCCCNC(N)=N						175427116					Agmatine	CHEMBL58343	
DB08838	Agmatine	BE0004661	CHRNA1	P02708	ACHA_HUMAN	antagonist	2331571	Loring RH: Agmatine acts as an antagonist of neuronal nicotinic receptors. Br J Pharmacol. 1990 Jan;99(1):207-11.	Experimental	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates	NCCCCNC(N)=N						175427116					Agmatine	CHEMBL58343	
DB08838	Agmatine	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	antagonist	12904272	"Weng XC, Gai XD, Zheng JQ, Li J: Agmatine blocked voltage-gated calcium channel in cultured rat hippocampal neurons. Acta Pharmacol Sin. 2003 Aug;24(8):746-50."	Experimental	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates	NCCCCNC(N)=N						175427116					Agmatine	CHEMBL58343	
DB08838	Agmatine	BE0004768	ASIC3	Q9UHC3	ASIC3_HUMAN	agonist	21143836	"Li WG, Yu Y, Zhang ZD, Cao H, Xu TL: ASIC3 channels integrate agmatine and multiple inflammatory signals through the nonproton ligand sensing domain. Mol Pain. 2010 Dec 8;6:88. doi: 10.1186/1744-8069-6-88."	Experimental	Guanidines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines	Antiarrhythmic agents; Anticholinergic Agents; OCT1 substrates; Nicotinic Antagonists; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Amidines; Guanidines; Calcium Channel Blockers; Vasodilating Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; NMDA Receptor Antagonists; OCT2 Substrates	NCCCCNC(N)=N						175427116					Agmatine	CHEMBL58343	
DB08839	Serotonin	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		16272152	"Henry LK, Field JR, Adkins EM, Parnas ML, Vaughan RA, Zou MF, Newman AH, Blakely RD: Tyr-95 and Ile-172 in transmembrane segments 1 and 3 of human serotonin transporters interact to establish high affinity recognition of antidepressants. J Biol Chem. 2006 Jan 27;281(4):2012-23. Epub 2005 Nov 3."	Investigational; Nutraceutical	Serotonins	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Viper Venoms; Inflammation Mediators; Amines; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Snake Venoms; Indoles; Antidepressive Agents; Central Nervous System Depressants; Toxins, Biological; Biological Factors; Heterocyclic Compounds, Fused-Ring; Complex Mixtures; Serine Proteases; Serotonin Agents; Biogenic Monoamines; Tryptamines; Neurotransmitter Agents; Autacoids; Venoms; Endopeptidases"	NCCC1=CNC2=CC=C(O)C=C12											Serotonin	CHEMBL39	1311214
DB08839	Serotonin	BE0009583	HTR3B	O95264	5HT3B_HUMAN		17360702	"Rusch D, Musset B, Wulf H, Schuster A, Raines DE: Subunit-dependent modulation of the 5-hydroxytryptamine type 3 receptor open-close equilibrium by n-alcohols. J Pharmacol Exp Ther. 2007 Jun;321(3):1069-74. Epub 2007 Mar 7."	Investigational; Nutraceutical	Serotonins	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Viper Venoms; Inflammation Mediators; Amines; Serotonin Receptor Agonists; Biogenic Amines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Snake Venoms; Indoles; Antidepressive Agents; Central Nervous System Depressants; Toxins, Biological; Biological Factors; Heterocyclic Compounds, Fused-Ring; Complex Mixtures; Serine Proteases; Serotonin Agents; Biogenic Monoamines; Tryptamines; Neurotransmitter Agents; Autacoids; Venoms; Endopeptidases"	NCCC1=CNC2=CC=C(O)C=C12											Serotonin	CHEMBL39	1311214
DB08846	Ellagic acid	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0003626	CA5A	P35218	CAH5A_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0003627	CA5B	Q9Y2D0	CAH5B_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0003628	CA6	P23280	CAH6_HUMAN	inhibitor	20185318	"Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT: Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub  2010 Feb 6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0001132	PRKCA	P17252	KPCA_HUMAN	inhibitor	9581512	"Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0000872	PRKCB	P05771	KPCB_HUMAN	inhibitor	9581512	"Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08846	Ellagic acid	BE0001316	SYK	P43405	KSYK_HUMAN	inhibitor	16610779	"Cozza G, Bonvini P, Zorzi E, Poletto G, Pagano MA, Sarno S, Donella-Deana A, Zagotto G, Rosolen A, Pinna LA, Meggio F, Moro S: Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. J Med Chem. 2006 Apr 20;49(8):2363-6."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08848	Guvacine	BE0004733	SLC6A11	P48066	S6A11_HUMAN	inhibitor	20512624	"Sunol C, Babot Z, Cristofol R, Sonnewald U, Waagepetersen HS, Schousboe A: A possible role of the non-GAT1 GABA transporters in transfer of GABA from GABAergic to glutamatergic neurons in mouse cerebellar neuronal cultures. Neurochem Res. 2010 Sep;35(9):1384-90. doi: 10.1007/s11064-010-0196-1. Epub 2010  May 30."	Experimental	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Pyridines	OC(=O)C1=CCCNC1						175427121					Guvacine	CHEMBL76768	
DB08848	Guvacine	BE0004777	SLC6A12	P48065	S6A12_HUMAN	inhibitor	12111824	"Ruiz-Tachiquin ME, Sanchez-Lemus E, Soria-Jasso LE, Arias-Montano JA, Ortega A: Gamma-aminobutyric acid transporter (BGT-1) expressed in human astrocytoma U373 MG cells: pharmacological and molecular characterization and phorbol ester-induced inhibition. J Neurosci Res. 2002 Jul 1;69(1):125-32."	Experimental	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	Pyridines	OC(=O)C1=CCCNC1						175427121					Guvacine	CHEMBL76768	
DB08855	Leukotriene C4	BE0000785	ABCC1	P33527	MRP1_HUMAN		15628876	"Karwatsky J, Leimanis M, Cai J, Gros P, Georges E: The leucotriene C4 binding sites in multidrug resistance protein 1 (ABCC1) include the first membrane multiple spanning domain. Biochemistry. 2005 Jan 11;44(1):340-51."	Experimental; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"SRS-A; Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids"	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O											Leukotriene_C4	CHEMBL451509	
DB08860	Pitavastatin	BE0000574	HMGCR	P04035	HMDH_HUMAN	inhibitor	22472908; 28130659	"Morgan RE, Campbell SE, Yu CY, Sponseller CA, Muster HA: Comparison of the safety, tolerability, and pharmacokinetic profile of a single oral dose of pitavastatin 4 mg in adult subjects with severe renal impairment not on hemodialysis versus healthy adult subjects. J Cardiovasc Pharmacol. 2012 Jul;60(1):42-8. doi: 10.1097/FJC.0b013e318256cdf0.@@Hoy SM: Pitavastatin: A Review in Hypercholesterolemia. Am J Cardiovasc Drugs. 2017 Apr;17(2):157-168. doi: 10.1007/s40256-017-0213-8."	Approved	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Toxic Actions"	O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O						175427122	D01862	PA142650384			Pitavastatin	CHEMBL1201753	861634
DB08860	Pitavastatin	BE0000516	ITGAL	P20701	ITAL_HUMAN		11385505; 15822172	"Weitz-Schmidt G, Welzenbach K, Brinkmann V, Kamata T, Kallen J, Bruns C, Cottens S, Takada Y, Hommel U: Statins selectively inhibit leukocyte function antigen-1 by binding to a novel regulatory integrin site. Nat Med. 2001 Jun;7(6):687-92. doi: 10.1038/89058.@@Liao JK, Laufs U: Pleiotropic effects of statins. Annu Rev Pharmacol Toxicol. 2005;45:89-118. doi: 10.1146/annurev.pharmtox.45.120403.095748."	Approved	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines	"OATP1B1/SLCO1B1 Inhibitors; UGT2B7 substrates; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors; OATP1B1/SLCO1B1 Substrates; Lipid Modifying Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Lipid Regulating Agents; BCRP/ABCG2 Substrates; Agents Causing Muscle Toxicity; Heterocyclic Compounds, Fused-Ring; Lipid Modifying Agents, Plain; UGT1A3 substrates; Anticholesteremic Agents; OATP2B1/SLCO2B1 substrates; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; BSEP/ABCB11 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Toxic Actions"	O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O						175427122	D01862	PA142650384			Pitavastatin	CHEMBL1201753	861634
DB08862	Cholecystokinin	BE0000036	RAF1	P04049	RAF1_HUMAN	agonist			Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						2068	347910375					Cholecystokinin		2420
DB08862	Cholecystokinin	BE0000953	EGF	P01133	EGF_HUMAN				Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						2068	347910375					Cholecystokinin		2420
DB08862	Cholecystokinin	BE0000872	PRKCB	P05771	KPCB_HUMAN	agonist			Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						2068	347910375					Cholecystokinin		2420
DB08862	Cholecystokinin	BE0001158	CCKBR	P32239	GASR_HUMAN	agonist			Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Gastrointestinal Hormones; Cholecystokinin, antagonists & inhibitors; Diagnostic Agents; OATP1B3 substrates; Peptides; OATP1B1/SLCO1B1 Substrates; Cholagogues and Choleretics; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cholecystokinin, agonists; Tests for Pancreatic Function; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						2068	347910375					Cholecystokinin		2420
DB08864	Rilpivirine	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	23583259	"Sharma D, Lau AJ, Sherman MA, Chang TK: Agonism of human pregnane X receptor by rilpivirine and etravirine: comparison with first generation non-nucleoside reverse transcriptase inhibitors. Biochem Pharmacol. 2013 Jun 1;85(11):1700-11. doi: 10.1016/j.bcp.2013.04.002. Epub 2013 Apr 9."	Approved	Benzonitriles	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Nonnucleoside Reverse Transcriptase Inhibitors; Antiviral Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); Antiinfectives for Systemic Use; Cytochrome P-450 CYP2B6 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; OATP1B3 inhibitors; Nucleic Acid Synthesis Inhibitors; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Direct Acting Antivirals; Nitriles; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Anti-Retroviral Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Pyrimidines; Human Immunodeficiency Virus 1 Non-Nucleoside Analog Reverse Transcriptase Inhibitor	CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1					20874	175427123	D09720				Rilpivirine	CHEMBL175691	1102270
DB08865	Crizotinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor	22594847	"Forde PM, Rudin CM: Crizotinib in the treatment of non-small-cell lung cancer. Expert Opin Pharmacother. 2012 Jun;13(8):1195-201. doi: 10.1517/14656566.2012.688029."	Approved; Investigational	Pyrazolylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines	Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs	C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl					21291	310264901	D09731	PA165946122			Crizotinib	CHEMBL601719	1148495
DB08865	Crizotinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor	22594847; 10592235	"Forde PM, Rudin CM: Crizotinib in the treatment of non-small-cell lung cancer. Expert Opin Pharmacother. 2012 Jun;13(8):1195-201. doi: 10.1517/14656566.2012.688029.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Pyrazolylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines	Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs	C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl					21291	310264901	D09731	PA165946122			Crizotinib	CHEMBL601719	1148495
DB08865	Crizotinib	BE0009534	ROS1	P08922	ROS1_HUMAN	inhibitor			Approved; Investigational	Pyrazolylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrazolylpyridines	Cytochrome P-450 CYP2B6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Aminopyridines; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs	C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl					21291	310264901	D09731	PA165946122			Crizotinib	CHEMBL601719	1148495
DB08867	Ulipristal	BE0000557	PGR	P06401	PRGR_HUMAN	modulator	23437846	"Gemzell-Danielsson K, Rabe T, Cheng L: Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14. doi: 10.3109/09513590.2013.774591."	Approved	20-oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Norsteroids; Cytochrome P-450 CYP3A Substrates; Selective Progesterone Receptor Modulators; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Progesterone Receptor Modulators; Contraceptive Agents, Hormonal; Progesterone Agonist/Antagonist; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents"	CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12					22109	310264902	D09567				Ulipristal_acetate	CHEMBL2103846	1005921
DB08867	Ulipristal	BE0000794	NR3C1	P04150	GCR_HUMAN	antagonist	23437846	"Gemzell-Danielsson K, Rabe T, Cheng L: Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14. doi: 10.3109/09513590.2013.774591."	Approved	20-oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Norsteroids; Cytochrome P-450 CYP3A Substrates; Selective Progesterone Receptor Modulators; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Progesterone Receptor Modulators; Contraceptive Agents, Hormonal; Progesterone Agonist/Antagonist; Contraceptive Agents, Female; Cytochrome P-450 CYP1A2 Substrates; Reproductive Control Agents"	CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12					22109	310264902	D09567				Ulipristal_acetate	CHEMBL2103846	1005921
DB08868	Fingolimod	BE0002432	S1PR5	Q9H228	S1PR5_HUMAN	modulator	23579459; 23579456	"Zu Heringdorf DM, Ihlefeld K, Pfeilschifter J: Pharmacology of the sphingosine-1-phosphate signalling system. Handb Exp Pharmacol. 2013;(215):239-53. doi: 10.1007/978-3-7091-1368-4_13.@@Bhabak KP, Arenz C: Novel drugs targeting sphingolipid metabolism. Handb Exp Pharmacol. 2013;(215):187-96. doi: 10.1007/978-3-7091-1368-4_10."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator	CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1					20671	175427125	D10001				Fingolimod	CHEMBL314854	1012892
DB08868	Fingolimod	BE0008652	S1PR1	P21453	S1PR1_HUMAN	modulator	22149256	"David OJ, Kovarik JM, Schmouder RL: Clinical pharmacokinetics of fingolimod. Clin Pharmacokinet. 2012 Jan 1;51(1):15-28. doi: 10.2165/11596550-000000000-00000."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator	CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1					20671	175427125	D10001				Fingolimod	CHEMBL314854	1012892
DB08868	Fingolimod	BE0009881	S1PR3	Q99500	S1PR3_HUMAN	modulator	22149256	"David OJ, Kovarik JM, Schmouder RL: Clinical pharmacokinetics of fingolimod. Clin Pharmacokinet. 2012 Jan 1;51(1):15-28. doi: 10.2165/11596550-000000000-00000."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator	CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1					20671	175427125	D10001				Fingolimod	CHEMBL314854	1012892
DB08868	Fingolimod	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	inhibitor	24859201; 26053034; 31826690	"Hait NC, Wise LE, Allegood JC, O'Brien M, Avni D, Reeves TM, Knapp PE, Lu J, Luo C, Miles MF, Milstien S, Lichtman AH, Spiegel S: Active, phosphorylated fingolimod inhibits histone deacetylases and facilitates fear extinction memory. Nat Neurosci. 2014 Jul;17(7):971-80. doi: 10.1038/nn.3728. Epub 2014 May 25.@@Hait NC, Avni D, Yamada A, Nagahashi M, Aoyagi T, Aoki H, Dumur CI, Zelenko Z, Gallagher EJ, Leroith D, Milstien S, Takabe K, Spiegel S: The phosphorylated prodrug FTY720 is a histone deacetylase inhibitor that reactivates ERalpha expression and enhances hormonal therapy for breast cancer. Oncogenesis. 2015 Jun 8;4:e156. doi: 10.1038/oncsis.2015.16.@@Perla AS, Fratini L, Cardoso PS, de Farias CB, da Cunha Jaeger M, Roesler R: Fingolimod (FTY720) reduces viability and survival and increases histone H3 acetylation in medulloblastoma cells. Pediatr Hematol Oncol. 2020 Mar;37(2):170-175. doi: 10.1080/08880018.2019.1699213. Epub 2019 Dec 11."	Approved; Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	Immunomodulatory Agents; Amines; P-glycoprotein inducers; Amino Alcohols; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Glycols; Immunologic Factors; Alcohols; Sphingosine 1 Phosphate Receptor Modulators; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Selective Immunosuppressants; Immunosuppressive Agents; Propylene Glycols; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Sphingosine 1-phosphate Receptor Modulator	CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1					20671	175427125	D10001				Fingolimod	CHEMBL314854	1012892
DB08870	Brentuximab vedotin	BE0003479	TNFRSF8	P28908	TNR8_HUMAN	binder	12714494; 33807678	"Francisco JA, Cerveny CG, Meyer DL, Mixan BJ, Klussman K, Chace DF, Rejniak SX, Gordon KA, DeBlanc R, Toki BE, Law CL, Doronina SO, Siegall CB, Senter PD, Wahl AF: cAC10-vcMMAE, an anti-CD30-monomethyl auristatin E conjugate with potent and selective antitumor activity. Blood. 2003 Aug 15;102(4):1458-65. Epub 2003 Apr 24.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; CD30-directed Antibody Interactions; Immunoproteins; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Noxae; Amino Acids, Peptides, and Proteins; CD30-directed Immunoconjugate; Antibodies; Immunotherapy; Immunotoxins; Cytochrome P-450 Substrates; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Immunoglobulins; Oligopeptides; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Antibody-drug Conjugates; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; Microtubule Inhibition; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins"						21796	347910376	D09587				Brentuximab_vedotin	CHEMBL1742994	1147320
DB08871	Eribulin	BE0000246	BCL2	P10415	BCL2_HUMAN		15313917	"Kuznetsov G, Towle MJ, Cheng H, Kawamura T, TenDyke K, Liu D, Kishi Y, Yu MJ, Littlefield BA: Induction of morphological and biochemical apoptosis following prolonged mitotic blockage by halichondrin B macrocyclic ketone analog E7389. Cancer Res. 2004 Aug 15;64(16):5760-6."	Approved; Investigational			"Ethers, Cyclic; Potential QTc-Prolonging Agents; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; QTc Prolonging Agents; Lactones; Polyketides; Ethers; Narrow Therapeutic Index Drugs; Microtubule Inhibitors; Microtubule Inhibition; Antineoplastic Agents"	[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2					21079	175427126	D08914				Eribulin	CHEMBL1683590	1045453
DB08872	Gabapentin enacarbil	BE0000691	CACNA2D1	P54289	CA2D1_HUMAN				Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Aminobutyrates; Central Nervous System Depressants; Acids, Acyclic; Anti-epileptic Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Butyrates; Gabapentin and Prodrugs"	CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1						347827805	D09539				Gabapentin_enacarbil	CHEMBL1628502	1101333
DB08872	Gabapentin enacarbil	BE0002396	CACNA2D2	Q9NY47	CA2D2_HUMAN				Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Aminobutyrates; Central Nervous System Depressants; Acids, Acyclic; Anti-epileptic Agent; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Butyrates; Gabapentin and Prodrugs"	CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1						347827805	D09539				Gabapentin_enacarbil	CHEMBL1628502	1101333
DB08875	Cabozantinib	BE0000915	MET	P08581	MET_HUMAN	antagonist	21606412; 21926191	"Kurzrock R, Sherman SI, Ball DW, Forastiere AA, Cohen RB, Mehra R, Pfister DG, Cohen EE, Janisch L, Nauling F, Hong DS, Ng CS, Ye L, Gagel RF, Frye J, Muller T, Ratain MJ, Salgia R: Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. J Clin Oncol. 2011 Jul 1;29(19):2660-6. doi: 10.1200/JCO.2010.32.4145. Epub 2011  May 23.@@Yakes FM, Chen J, Tan J, Yamaguchi K, Shi Y, Yu P, Qian F, Chu F, Bentzien F, Cancilla B, Orf J, You A, Laird AD, Engst S, Lee L, Lesch J, Chou YC, Joly AH: Cabozantinib (XL184), a novel MET and VEGFR2 inhibitor, simultaneously suppresses metastasis, angiogenesis, and tumor growth. Mol Cancer Ther. 2011 Dec;10(12):2298-308. doi: 10.1158/1535-7163.MCT-11-0264. Epub 2011 Sep 16."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Amines; Cytochrome P-450 CYP3A Substrates; Amides; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Narrow Therapeutic Index Drugs"	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2					22975	347827806	D10062				Cabozantinib	CHEMBL2105717	1363268
DB08875	Cabozantinib	BE0000369	KDR	P35968	VGFR2_HUMAN	antagonist	21606412; 21926191	"Kurzrock R, Sherman SI, Ball DW, Forastiere AA, Cohen RB, Mehra R, Pfister DG, Cohen EE, Janisch L, Nauling F, Hong DS, Ng CS, Ye L, Gagel RF, Frye J, Muller T, Ratain MJ, Salgia R: Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. J Clin Oncol. 2011 Jul 1;29(19):2660-6. doi: 10.1200/JCO.2010.32.4145. Epub 2011  May 23.@@Yakes FM, Chen J, Tan J, Yamaguchi K, Shi Y, Yu P, Qian F, Chu F, Bentzien F, Cancilla B, Orf J, You A, Laird AD, Engst S, Lee L, Lesch J, Chou YC, Joly AH: Cabozantinib (XL184), a novel MET and VEGFR2 inhibitor, simultaneously suppresses metastasis, angiogenesis, and tumor growth. Mol Cancer Ther. 2011 Dec;10(12):2298-308. doi: 10.1158/1535-7163.MCT-11-0264. Epub 2011 Sep 16."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Amines; Cytochrome P-450 CYP3A Substrates; Amides; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Narrow Therapeutic Index Drugs"	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2					22975	347827806	D10062				Cabozantinib	CHEMBL2105717	1363268
DB08875	Cabozantinib	BE0002411	RET	P07949	RET_HUMAN	antagonist	21606412	"Kurzrock R, Sherman SI, Ball DW, Forastiere AA, Cohen RB, Mehra R, Pfister DG, Cohen EE, Janisch L, Nauling F, Hong DS, Ng CS, Ye L, Gagel RF, Frye J, Muller T, Ratain MJ, Salgia R: Activity of XL184 (Cabozantinib), an oral tyrosine kinase inhibitor, in patients with medullary thyroid cancer. J Clin Oncol. 2011 Jul 1;29(19):2660-6. doi: 10.1200/JCO.2010.32.4145. Epub 2011  May 23."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Amines; Cytochrome P-450 CYP3A Substrates; Amides; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Aniline Compounds; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Narrow Therapeutic Index Drugs"	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2					22975	347827806	D10062				Cabozantinib	CHEMBL2105717	1363268
DB08877	Ruxolitinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	23514013; 23061804; 21919691	"Cervantes F, Martinez-Trillos A: Myelofibrosis: an update on current pharmacotherapy and future directions. Expert Opin Pharmacother. 2013 May;14(7):873-84. doi: 10.1517/14656566.2013.783019. Epub 2013 Mar 21.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81."	Approved	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs"	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					21376	175427129	D09959	PA166123386			Ruxolitinib	CHEMBL1789941	1193326
DB08877	Ruxolitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	23514013; 23061804; 21919691	"Cervantes F, Martinez-Trillos A: Myelofibrosis: an update on current pharmacotherapy and future directions. Expert Opin Pharmacother. 2013 May;14(7):873-84. doi: 10.1517/14656566.2013.783019. Epub 2013 Mar 21.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81."	Approved	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs"	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					21376	175427129	D09959	PA166123386			Ruxolitinib	CHEMBL1789941	1193326
DB08877	Ruxolitinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	23061804; 21919691	"Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000.@@Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81."	Approved	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs"	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					21376	175427129	D09959	PA166123386			Ruxolitinib	CHEMBL1789941	1193326
DB08877	Ruxolitinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor	21919691; 23061804	"Ostojic A, Vrhovac R, Verstovsek S: Ruxolitinib: a new JAK1/2 inhibitor that offers promising options for treatment of myelofibrosis. Future Oncol. 2011 Sep;7(9):1035-43. doi: 10.2217/fon.11.81.@@Yang LP, Keating GM: Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27. doi: 10.2165/11209340-000000000-00000."	Approved	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Cancer immunotherapy; Cytochrome P-450 CYP3A Substrates; Dermatologicals; Protein Kinase Inhibitors; Immunotherapy; Cytochrome P-450 Substrates; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Janus Kinase Inhibitor; Antineoplastic Agents; Kinase Inhibitor; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; Narrow Therapeutic Index Drugs"	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					21376	175427129	D09959	PA166123386			Ruxolitinib	CHEMBL1789941	1193326
DB08881	Vemurafenib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor	23094782	"Jordan EJ, Kelly CM: Vemurafenib for the treatment of melanoma. Expert Opin Pharmacother. 2012 Dec;13(17):2533-43. doi: 10.1517/14656566.2012.737780. Epub 2012 Oct 24."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Amides; B-Raf serine-threonine kinase (BRAF) inhibitors; Indoles; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A Inducers; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds; Narrow Therapeutic Index Drugs"	CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1					21189	175427131	D09996	PA165946873			Vemurafenib	CHEMBL1229517	1147220
DB08883	Perampanel	BE0000640	GRIA1	P42261	GRIA1_HUMAN	antagonist	21635236	"Hanada T, Hashizume Y, Tokuhara N, Takenaka O, Kohmura N, Ogasawara A, Hatakeyama S, Ohgoh M, Ueno M, Nishizawa Y: Perampanel: a novel, orally active, noncompetitive AMPA-receptor antagonist that reduces seizure activity in rodent models of epilepsy. Epilepsia. 2011 Jul;52(7):1331-40. doi: 10.1111/j.1528-1167.2011.03109.x. Epub 2011 Jun 2."	Approved	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines	"Cytochrome P-450 CYP3A Substrates; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Miscellaneous Anticonvulsants; UGT1A9 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Receptors, AMPA, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Noncompetitive AMPA Glutamate Receptor Antagonist; Cytochrome P-450 CYP3A5 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); AMPA Receptor Antagonists; Cytochrome P-450 CYP3A Inducers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants"	O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1					22049	347827808	D08964				Perampanel	CHEMBL1214124	1356552
DB08888	Ocriplasmin	BE0001180	FN1	P02751	FINC_HUMAN	cleavage	23193358	"Tsui I, Pan CK, Rahimy E, Schwartz SD: Ocriplasmin for vitreoretinal diseases. J Biomed Biotechnol. 2012;2012:354979. doi: 10.1155/2012/354979. Epub 2012 Oct 14."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Ophthalmologicals; Hydrolases; Enzymes and Coenzymes; Sensory Organs; Serine Endopeptidases; Peptides; Serine Proteases; Endopeptidases; Amino Acids, Peptides, and Proteins; EENT Drugs, Miscellaneous; Enzymes; Ophthalmics"						22139	347910381	D09646				Ocriplasmin	CHEMBL2095222	29998
DB08888	Ocriplasmin	BE0000910	A2M	P01023	A2MG_HUMAN	ligand			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Ophthalmologicals; Hydrolases; Enzymes and Coenzymes; Sensory Organs; Serine Endopeptidases; Peptides; Serine Proteases; Endopeptidases; Amino Acids, Peptides, and Proteins; EENT Drugs, Miscellaneous; Enzymes; Ophthalmics"						22139	347910381	D09646				Ocriplasmin	CHEMBL2095222	29998
DB08889	Carfilzomib	BE0002348	PSMB5	P28074	PSB5_HUMAN	inhibitor	23393020	"Kortuem KM, Stewart AK: Carfilzomib. Blood. 2013 Feb 7;121(6):893-7. doi: 10.1182/blood-2012-10-459883."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"	CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1					22678	175427135	D08880	PA166165203			Carfilzomib	CHEMBL451887	1302966
DB08889	Carfilzomib	BE0002349	PSMB2	P49721	PSB2_HUMAN	inhibitor	17591945	"Kuhn DJ, Chen Q, Voorhees PM, Strader JS, Shenk KD, Sun CM, Demo SD, Bennett MK, van Leeuwen FW, Chanan-Khan AA, Orlowski RZ: Potent activity of carfilzomib, a novel, irreversible inhibitor of the ubiquitin-proteasome pathway, against preclinical models of multiple myeloma. Blood. 2007 Nov 1;110(9):3281-90. Epub 2007 Jun 25."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"P-glycoprotein inhibitors; Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Peptides; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Proteasome Inhibitors; P-glycoprotein substrates; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"	CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1					22678	175427135	D08880	PA166165203			Carfilzomib	CHEMBL451887	1302966
DB08890	Linaclotide	BE0003502	GUCY2C	P25092	GUC2C_HUMAN	agonist	23090647; 24433216	"Busby RW, Kessler MM, Bartolini WP, Bryant AP, Hannig G, Higgins CS, Solinga RM, Tobin JV, Wakefield JD, Kurtz CB, Currie MG: Pharmacologic properties, metabolism, and disposition of linaclotide, a novel therapeutic peptide approved for the treatment of irritable bowel syndrome with constipation and chronic idiopathic constipation. J Pharmacol Exp Ther. 2013 Jan;344(1):196-206. doi: 10.1124/jpet.112.199430. Epub 2012 Oct 22.@@Layer P, Stanghellini V: Review article: Linaclotide for the management of irritable bowel syndrome with constipation. Aliment Pharmacol Ther. 2014 Feb;39(4):371-84. doi: 10.1111/apt.12604. Epub 2014 Jan 16."	Approved	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Guanylyl Cyclase C Agonists; Guanylate Cyclase-C Agonist; Guanylate Cyclase Activators; Laxatives; Alimentary Tract and Metabolism; Miscellaneous GI Drugs; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Enzyme Activators; Drugs for Constipation"	[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O					22180	175427136	D09355				Linaclotide	CHEMBL3301675	1307404
DB08891	Arbaclofen	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	8388192; 11752352; 10386831; 19303900; 10444662; 10482760; 10494996; 10545129; 10094428	"Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Garcia-Gil L, de Miguel R, Romero J, Perez A, Ramos JA, Fernandez-Ruiz JJ: Perinatal delta9-tetrahydrocannabinol exposure augmented the magnitude of motor inhibition caused by GABA(B), but not GABA(A), receptor agonists in adult rats. Neurotoxicol Teratol. 1999 May-Jun;21(3):277-83.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Motalli R, Louvel J, Tancredi V, Kurcewicz I, Wan-Chow-Wah D, Pumain R, Avoli M: GABA(B) receptor activation promotes seizure activity in the juvenile rat hippocampus. J Neurophysiol. 1999 Aug;82(2):638-47.@@Mott DD, Li Q, Okazaki MM, Turner DA, Lewis DV: GABAB-Receptor-mediated currents in interneurons of the dentate-hilus border. J Neurophysiol. 1999 Sep;82(3):1438-50.@@Ogasawara T, Itoh Y, Tamura M, Mushiroi T, Ukai Y, Kise M, Kimura K: Involvement of cholinergic and GABAergic systems in the reversal of memory disruption by NS-105, a cognition enhancer. Pharmacol Biochem Behav. 1999 Sep;64(1):41-52.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629.@@Stringer JL, Lorenzo N: The reduction in paired-pulse inhibition in the rat hippocampus by gabapentin is independent of GABA(B) receptor receptor activation. Epilepsy Res. 1999 Feb;33(2-3):169-76."	Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1						347827809					Arbaclofen_placarbil	CHEMBL301742	
DB08891	Arbaclofen	BE0002340	GABBR2	O75899	GABR2_HUMAN	agonist	10658574; 15235087; 8388192; 10751439; 11008066; 19303900; 10328880; 10545129	"Belley M, Sullivan R, Reeves A, Evans J, O'Neill G, Ng GY: Synthesis of the nanomolar photoaffinity GABA(B) receptor ligand CGP 71872 reveals diversity in the tissue distribution of GABA(B) receptor forms. Bioorg Med Chem. 1999 Dec;7(12):2697-704.@@Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Jones KA, Tamm JA, Craig DA, Ph D, Yao W, Panico R: Signal transduction by GABA(B) receptor heterodimers. Neuropsychopharmacology. 2000 Oct;23(4 Suppl):S41-9.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629."	Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1						347827809					Arbaclofen_placarbil	CHEMBL301742	
DB08892	Arbaclofen Placarbil	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	8388192; 11752352; 10386831; 19303900; 10444662; 10482760; 10494996; 10545129; 10094428	"Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Garcia-Gil L, de Miguel R, Romero J, Perez A, Ramos JA, Fernandez-Ruiz JJ: Perinatal delta9-tetrahydrocannabinol exposure augmented the magnitude of motor inhibition caused by GABA(B), but not GABA(A), receptor agonists in adult rats. Neurotoxicol Teratol. 1999 May-Jun;21(3):277-83.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Motalli R, Louvel J, Tancredi V, Kurcewicz I, Wan-Chow-Wah D, Pumain R, Avoli M: GABA(B) receptor activation promotes seizure activity in the juvenile rat hippocampus. J Neurophysiol. 1999 Aug;82(2):638-47.@@Mott DD, Li Q, Okazaki MM, Turner DA, Lewis DV: GABAB-Receptor-mediated currents in interneurons of the dentate-hilus border. J Neurophysiol. 1999 Sep;82(3):1438-50.@@Ogasawara T, Itoh Y, Tamura M, Mushiroi T, Ukai Y, Kise M, Kimura K: Involvement of cholinergic and GABAergic systems in the reversal of memory disruption by NS-105, a cognition enhancer. Pharmacol Biochem Behav. 1999 Sep;64(1):41-52.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629.@@Stringer JL, Lorenzo N: The reduction in paired-pulse inhibition in the rat hippocampus by gabapentin is independent of GABA(B) receptor receptor activation. Epilepsy Res. 1999 Feb;33(2-3):169-76."	Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Aminobutyrates; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Muscle Relaxants; Neurotransmitter Agents; GABA-B Receptor Agonists; Acids, Acyclic; Peripheral Nervous System Agents; Butyrates"	CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C						347827810	D08861					CHEMBL2107312	
DB08892	Arbaclofen Placarbil	BE0002340	GABBR2	O75899	GABR2_HUMAN	agonist	10658574; 15235087; 8388192; 10751439; 11008066; 19303900; 10328880; 10545129	"Belley M, Sullivan R, Reeves A, Evans J, O'Neill G, Ng GY: Synthesis of the nanomolar photoaffinity GABA(B) receptor ligand CGP 71872 reveals diversity in the tissue distribution of GABA(B) receptor forms. Bioorg Med Chem. 1999 Dec;7(12):2697-704.@@Braun M, Wendt A, Buschard K, Salehi A, Sewing S, Gromada J, Rorsman P: GABAB receptor activation inhibits exocytosis in rat pancreatic beta-cells by G-protein-dependent activation of calcineurin. J Physiol. 2004 Sep 1;559(Pt 2):397-409. Epub 2004 Jul 2.@@Bowery NG: GABAB receptor pharmacology. Annu Rev Pharmacol Toxicol. 1993;33:109-47.@@Filippov AK, Couve A, Pangalos MN, Walsh FS, Brown DA, Moss SJ: Heteromeric assembly of GABA(B)R1 and GABA(B)R2 receptor subunits inhibits Ca(2+) current in sympathetic neurons. J Neurosci. 2000 Apr 15;20(8):2867-74.@@Jones KA, Tamm JA, Craig DA, Ph D, Yao W, Panico R: Signal transduction by GABA(B) receptor heterodimers. Neuropsychopharmacology. 2000 Oct;23(4 Suppl):S41-9.@@Lehmann A: GABAB receptors as drug targets to treat gastroesophageal reflux disease. Pharmacol Ther. 2009 Jun;122(3):239-45. doi: 10.1016/j.pharmthera.2009.02.008. Epub 2009 Mar 19.@@Martin SC, Russek SJ, Farb DH: Molecular identification of the human GABABR2: cell surface expression and coupling to adenylyl cyclase in the absence of GABABR1. Mol Cell Neurosci. 1999 Mar;13(3):180-91.@@Pittman QJ: The action is at the terminal. J Physiol. 1999 Nov 1;520 Pt 3:629."	Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Aminobutyrates; Neuromuscular Agents; Central Nervous System Agents; Central Nervous System Depressants; GABA Agonists; Muscle Relaxants; Neurotransmitter Agents; GABA-B Receptor Agonists; Acids, Acyclic; Peripheral Nervous System Agents; Butyrates"	CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C						347827810	D08861					CHEMBL2107312	
DB08895	Tofacitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	N-acylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents"	C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N					22274	347827811	D09970				Tofacitinib	CHEMBL221959	1357536
DB08895	Tofacitinib	BE0002408	JAK2	O60674	JAK2_HUMAN	antagonist	10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	N-acylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents"	C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N					22274	347827811	D09970				Tofacitinib	CHEMBL221959	1357536
DB08895	Tofacitinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	N-acylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents"	C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N					22274	347827811	D09970				Tofacitinib	CHEMBL221959	1357536
DB08895	Tofacitinib	BE0004146	TYK2	P29597	TYK2_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	N-acylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; N-acylpiperidines	"Janus Kinases, antagonists & inhibitors; Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; Selective Immunosuppressants; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Bradycardia-Causing Agents; Antirheumatic Agents"	C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N					22274	347827811	D09970				Tofacitinib	CHEMBL221959	1357536
DB08896	Regorafenib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0003379	TEK	Q02763	TIE2_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0004741	DDR2	Q16832	DDR2_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000841	EPHA2	P29317	EPHA2_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000036	RAF1	P04049	RAF1_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0004742	FRK	P42685	FRK_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08896	Regorafenib	BE0002411	RET	P07949	RET_HUMAN	inhibitor			Approved	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; UGT1A9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1					22042	175427139	D10138				Regorafenib	CHEMBL1946170	1312397
DB08897	Aclidinium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist			Approved	Quinuclidines	Organic compounds; Organoheterocyclic compounds; Quinuclidines	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics"	OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1					22129	175427140	D08837				Aclidinium_bromide	CHEMBL1194325	1303098
DB08897	Aclidinium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist			Approved	Quinuclidines	Organic compounds; Organoheterocyclic compounds; Quinuclidines	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics"	OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1					22129	175427140	D08837				Aclidinium_bromide	CHEMBL1194325	1303098
DB08897	Aclidinium	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist			Approved	Quinuclidines	Organic compounds; Organoheterocyclic compounds; Quinuclidines	"Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Cholinesterase substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Alkaloids; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Azabicyclo Compounds; Antimuscarinics Antispasmodics"	OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1					22129	175427140	D08837				Aclidinium_bromide	CHEMBL1194325	1303098
DB08900	Teduglutide	BE0002134	GLP2R	O95838	GLP2R_HUMAN	agonist	23729002	"Burness CB, McCormack PL: Teduglutide: a review of its use in the treatment of patients with short bowel syndrome. Drugs. 2013 Jun;73(9):935-47. doi: 10.1007/s40265-013-0070-y."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Glucagon-like Peptide-2 (GLP-2) Agonists; Protective Agents; GLP-2 Analog; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Glucagon-Like Peptides; Miscellaneous GI Drugs; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Analogs/Derivatives; Hormones; Radiation-Protective Agents; Glucagon-Like Peptide 2; Various Alimentary Tract and Metabolism Products; Proglucagon; Compounds used in a research, industrial, or household setting; Hormones, Hormone Substitutes, and Hormone Antagonists"						22636	347910383	D06053				Teduglutide	CHEMBL2104987	1364468
DB08901	Ponatinib	BE0004743	BCR	P11274	BCR_HUMAN	inhibitor	23409026	"Iqbal Z, Aleem A, Iqbal M, Naqvi MI, Gill A, Taj AS, Qayyum A, ur-Rehman N, Khalid AM, Shah IH, Khalid M, Haq R, Khan M, Baig SM, Jamil A, Abbas MN, Absar M, Mahmood A, Rasool M, Akhtar T: Sensitive detection of pre-existing BCR-ABL kinase domain mutations in CD34+ cells of newly diagnosed chronic-phase chronic myeloid leukemia patients is associated with imatinib resistance: implications in the post-imatinib era. PLoS One. 2013;8(2):e55717. doi: 10.1371/journal.pone.0055717. Epub 2013 Feb 8."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	23539538	"Gleixner KV, Peter B, Blatt K, Suppan V, Reiter A, Radia D, Hadzijusufovic E, Valent P: Synergistic growth-inhibitory effects of ponatinib and midostaurin (PKC412) on neoplastic mast cells carrying KIT D816V. Haematologica. 2013 Sep;98(9):1450-7. doi: 10.3324/haematol.2012.079202. Epub 2013 Mar 28."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	23526464	"De Falco V, Buonocore P, Muthu M, Torregrossa L, Basolo F, Billaud M, Gozgit JM, Carlomagno F, Santoro M: Ponatinib (AP24534) is a novel potent inhibitor of oncogenic RET mutants associated with thyroid cancer. J Clin Endocrinol Metab. 2013 May;98(5):E811-9. doi: 10.1210/jc.2012-2672. Epub 2013 Mar 22."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0003379	TEK	Q02763	TIE2_HUMAN	inhibitor			Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	23430109	"Smith CC, Lasater EA, Zhu X, Lin KC, Stewart WK, Damon LE, Salerno S, Shah NP: Activity of ponatinib against clinically-relevant AC220-resistant kinase domain mutants of FLT3-ITD. Blood. 2013 Apr 18;121(16):3165-71. doi: 10.1182/blood-2012-07-442871. Epub 2013  Feb 21."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	23563700; 23468082	"Ren M, Hong M, Liu G, Wang H, Patel V, Biddinger P, Silva J, Cowell J, Hao Z: Novel FGFR inhibitor ponatinib suppresses the growth of non-small cell lung cancer cells overexpressing FGFR1. Oncol Rep. 2013 Jun;29(6):2181-90. doi: 10.3892/or.2013.2386. Epub 2013 Apr 4.@@Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	23468082	"Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	23468082	"Gozgit JM, Squillace RM, Wongchenko MJ, Miller D, Wardwell S, Mohemmad Q, Narasimhan NI, Wang F, Clackson T, Rivera VM: Combined targeting of FGFR2 and mTOR by ponatinib and ridaforolimus results in synergistic antitumor activity in FGFR2 mutant endometrial cancer models. Cancer Chemother Pharmacol. 2013 May;71(5):1315-23. doi: 10.1007/s00280-013-2131-z. Epub 2013 Mar 7."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	19878872	"O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	19878872	"O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08901	Ponatinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	19878872	"O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08906	Fluticasone furoate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist			Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					20155	175427145	D06315				Fluticasone_furoate	CHEMBL1676	705022
DB08906	Fluticasone furoate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	16507850	"Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					20155	175427145	D06315				Fluticasone_furoate	CHEMBL1676	705022
DB08906	Fluticasone furoate	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	16507850	"Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; P-glycoprotein inducers; Cytochrome P-450 CYP3A5 Inhibitors; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Agents to Treat Airway Disease; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					20155	175427145	D06315				Fluticasone_furoate	CHEMBL1676	705022
DB08908	Dimethyl fumarate	BE0004756	KEAP1	Q14145	KEAP1_HUMAN	binder	23056222	"Oh CJ, Kim JY, Choi YK, Kim HJ, Jeong JY, Bae KH, Park KG, Lee IK: Dimethylfumarate attenuates renal fibrosis via NF-E2-related factor 2-mediated inhibition of transforming growth factor-beta/Smad signaling. PLoS One. 2012;7(10):e45870. doi: 10.1371/journal.pone.0045870. Epub 2012 Oct 8."	Approved; Investigational	Fatty acid esters	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters	"Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Dicarboxylic Acids; Immunologic Factors; Anti-Inflammatory Agents; Fumarates; Acids, Acyclic; Dermatologicals; Cytoprotective Agent; Radiation-Sensitizing Agents; Miscellaneous Central Nervous System Agents"	[H]\C(=C(\[H])C(=O)OC)C(=O)OC					22048	347827812	D03846	PA166152838			Dimethyl_fumarate	CHEMBL2107333	1373478
DB08910	Pomalidomide	BE0004755	CRBN	Q96SW2	CRBN_HUMAN	inhibitor	23730498; 20223979; 22552008	"McCurdy AR, Lacy MQ: Pomalidomide and its clinical potential for relapsed or refractory multiple myeloma: an update for the hematologist. Ther Adv Hematol. 2013 Jun;4(3):211-6. doi: 10.1177/2040620713480155.@@Ito T, Ando H, Suzuki T, Ogura T, Hotta K, Imamura Y, Yamaguchi Y, Handa H: Identification of a primary target of thalidomide teratogenicity. Science. 2010 Mar 12;327(5971):1345-50. doi: 10.1126/science.1177319.@@Lopez-Girona A, Mendy D, Ito T, Miller K, Gandhi AK, Kang J, Karasawa S, Carmel G, Jackson P, Abbasian M, Mahmoudi A, Cathers B, Rychak E, Gaidarova S, Chen R, Schafer PH, Handa H, Daniel TO, Evans JF, Chopra R: Cereblon is a direct protein target for immunomodulatory and antiproliferative activities of lenalidomide and pomalidomide. Leukemia. 2012 Nov;26(11):2326-35. doi: 10.1038/leu.2012.119. Epub 2012 May 3."	Approved	Phthalimides	Organic compounds; Organoheterocyclic compounds; Isoindoles and derivatives; Isoindolines	"Myelosuppressive Agents; Cancer immunotherapy; Growth Substances; Angiogenesis Inhibitors; Cytochrome P-450 CYP3A Substrates; Tumor Necrosis Factor Blockers; Piperidones; Immunotherapy; Central Nervous System Depressants; Cytochrome P-450 Substrates; Angiogenesis Modulating Agents; Immunologic Factors; Phthalic Acids; Thalidomide Analog; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Drugs that are Mainly Renally Excreted; Phthalimides; P-glycoprotein substrates; Antineoplastic Agents; Growth Inhibitors; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Piperidines; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Isoindoles; Narrow Therapeutic Index Drugs; Imides; Cytochrome P-450 CYP1A2 Substrates"	NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O					22238	175427148	D08976				Pomalidomide	CHEMBL43452	1369713
DB08911	Trametinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN	inhibitor	23432625; 23971497	"Salama AK, Kim KB: Trametinib (GSK1120212) in the treatment of melanoma. Expert Opin Pharmacother. 2013 Apr;14(5):619-27. doi: 10.1517/14656566.2013.770475. Epub 2013 Feb 23.@@Ho MY, Morris MJ, Pirhalla JL, Bauman JW, Pendry CB, Orford KW, Morrison RA, Cox DS: Trametinib, a first-in-class oral MEK inhibitor mass balance study with limited enrollment of two male subjects with advanced cancers. Xenobiotica. 2014 Apr;44(4):352-68. doi: 10.3109/00498254.2013.831143. Epub 2013 Aug 23."	Approved	Pyridopyrimidines	Organic compounds; Organoheterocyclic compounds; Pyridopyrimidines	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Cytochrome P-450 CYP3A4 Substrates; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Pyrimidines; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1					22128	175427149	D10175	PA166115364			Trametinib	CHEMBL2103875	1425099
DB08912	Dabrafenib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor	23621583	"Gibney GT, Zager JS: Clinical development of dabrafenib in BRAF mutant melanoma and other malignancies. Expert Opin Drug Metab Toxicol. 2013 Jul;9(7):893-9. doi: 10.1517/17425255.2013.794220. Epub 2013 Apr 29."	Approved; Investigational	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1					22126	175427150	D10064				Dabrafenib	CHEMBL2028663	1424911
DB08912	Dabrafenib	BE0000036	RAF1	P04049	RAF1_HUMAN	inhibitor			Approved; Investigational	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1					22126	175427150	D10064				Dabrafenib	CHEMBL2028663	1424911
DB08912	Dabrafenib	BE0004758	NEK11	Q8NG66	NEK11_HUMAN	inhibitor			Approved; Investigational	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1					22126	175427150	D10064				Dabrafenib	CHEMBL2028663	1424911
DB08912	Dabrafenib	BE0004759	LIMK1	P53667	LIMK1_HUMAN	inhibitor			Approved; Investigational	Sulfanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; OCT2 Inhibitors; Amines; Enzyme Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; OATP1B1/SLCO1B1 Substrates; Hydroxylamines; Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Organic Anion Transporter 1 Inhibitors; Cytochrome P-450 Substrates; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Cytochrome P-450 CYP2C8 Inducers (weak); Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Proto-Oncogene Proteins B-raf, antagonists & inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strong); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors (strong)"	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1					22126	175427150	D10064				Dabrafenib	CHEMBL2028663	1424911
DB08915	Aleglitazar	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	20653327; 10592235	"Cavender MA, Lincoff AM: Therapeutic potential of aleglitazar, a new dual PPAR-alpha/gamma agonist: implications for cardiovascular disease in patients with diabetes mellitus. Am J Cardiovasc Drugs. 2010;10(4):209-16. doi: 10.2165/11539500-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	Sulfur Compounds	CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O						175427152	D08845				Aleglitazar	CHEMBL519504	
DB08915	Aleglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	20653327; 10592235	"Cavender MA, Lincoff AM: Therapeutic potential of aleglitazar, a new dual PPAR-alpha/gamma agonist: implications for cardiovascular disease in patients with diabetes mellitus. Am J Cardiovasc Drugs. 2010;10(4):209-16. doi: 10.2165/11539500-000000000-00000.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	Sulfur Compounds	CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O						175427152	D08845				Aleglitazar	CHEMBL519504	
DB08915	Aleglitazar	BE0003728	NCOA1	Q15788	NCOA1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	Sulfur Compounds	CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O						175427152	D08845				Aleglitazar	CHEMBL519504	
DB08916	Afatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	31558282; 34104899	"Masood A, Kancha RK, Subramanian J: Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors in non-small cell lung cancer harboring uncommon EGFR mutations: Focus on afatinib. Semin Oncol. 2019 Jun;46(3):271-283. doi: 10.1053/j.seminoncol.2019.08.004. Epub 2019 Sep 11.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13."	Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1					22160	175427153	D09724	PA165981154			Afatinib	CHEMBL1173655	1430438
DB08916	Afatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	inhibitor			Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1					22160	175427153	D09724	PA165981154			Afatinib	CHEMBL1173655	1430438
DB08916	Afatinib	BE0004772	ERBB4	Q15303	ERBB4_HUMAN	inhibitor			Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1					22160	175427153	D09724	PA165981154			Afatinib	CHEMBL1173655	1430438
DB08918	Levomilnacipran	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor			Approved; Investigational	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Cyclopropanes; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Miscellaneous Antidepressants; Cycloparaffins; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System	CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1					22602	175427154	D10072				Levomilnacipran	CHEMBL99946	1433212
DB08918	Levomilnacipran	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor			Approved; Investigational	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Cyclopropanes; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Miscellaneous Antidepressants; Cycloparaffins; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP2D6 Substrates; Serotonin and Noradrenaline Reuptake Inhibitors; Norepinephrine Uptake Inhibitors; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Hypoglycemia-Associated Agents; Neurotransmitter Agents; Nervous System	CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1					22602	175427154	D10072				Levomilnacipran	CHEMBL99946	1433212
DB08922	Perospirone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	9595296	"Tanaka H, Ohno Y, Nakamura M: Localization and pharmacological characterization of [3H]perospirone-binding sites in rat brain. Gen Pharmacol. 1998 Jul;31(1):159-64."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Antipsychotic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP3A Substrates; Sulfur Compounds; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates"	[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O						310264903					Perospirone	CHEMBL1472975	
DB08922	Perospirone	BE0000442	HRH1	P35367	HRH1_HUMAN	inverse agonist	23812802	"Kishi T, Iwata N: Efficacy and tolerability of perospirone in schizophrenia: a systematic review and meta-analysis of randomized controlled trials. CNS Drugs. 2013 Sep;27(9):731-41. doi: 10.1007/s40263-013-0085-7."	Experimental	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Antipsychotic Agents; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Tranquilizing Agents; Cytochrome P-450 CYP3A Substrates; Sulfur Compounds; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Dopamine D2 Receptor Antagonists; Cytochrome P-450 CYP2C8 Substrates"	[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O						310264903					Perospirone	CHEMBL1472975	
DB08931	Riociguat	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	agonist	22044316; 26219978	"Soeiro-Pereira PV, Falcai A, Kubo CA, Oliveira-Junior EB, Marques OC, Antunes E, Condino-Neto A: BAY 41-2272, a soluble guanylate cyclase agonist, activates human mononuclear phagocytes. Br J Pharmacol. 2012 Jul;166(5):1617-30. doi: 10.1111/j.1476-5381.2011.01764.x.@@Humbert M, Ghofrani HA: The molecular targets of approved treatments for pulmonary arterial hypertension. Thorax. 2016 Jan;71(1):73-83. doi: 10.1136/thoraxjnl-2015-207170. Epub 2015 Jul 28."	Approved	Pyrazolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrazolopyridines	BCRP/ABCG2 Substrates; Hypotensive Agents; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 Substrates; Soluble Guanylate Cyclase Stimulator; Vasodilating Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Guanylate Cyclase; Guanylate Cyclase Stimulators; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Enzyme Activators; Cytochrome P-450 CYP2C8 Substrates	COC(=O)N(C)C1=C(N)N=C(N=C1N)C1=NN(CC2=C(F)C=CC=C2)C2=C1C=CC=N2					22148	310264904	D09572				Riociguat	CHEMBL2107834	1439816
DB08932	Macitentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN	antagonist	22862294; 29719121; 29540357	"Bolli MH, Boss C, Binkert C, Buchmann S, Bur D, Hess P, Iglarz M, Meyer S, Rein J, Rey M, Treiber A, Clozel M, Fischli W, Weller T: The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-p ropylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. J Med Chem. 2012 Sep 13;55(17):7849-61. doi: 10.1021/jm3009103. Epub 2012 Aug 16.@@Bedan M, Grimm D, Wehland M, Simonsen U, Infanger M, Kruger M: A Focus on Macitentan in the Treatment of Pulmonary Arterial Hypertension. Basic Clin Pharmacol Toxicol. 2018 Aug;123(2):103-113. doi: 10.1111/bcpt.13033. Epub 2018 Jun 5.@@Thenappan T, Ormiston ML, Ryan JJ, Archer SL: Pulmonary arterial hypertension: pathogenesis and clinical management. BMJ. 2018 Mar 14;360:j5492. doi: 10.1136/bmj.j5492."	Approved	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Endothelin A Receptor Antagonists; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Endothelin B Receptor Antagonists; Sulfones; Vasodilating Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Endothelin Receptor Antagonists; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C19 Substrates	CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1					22162	175427162	D10135				Macitentan	CHEMBL2103873	1442132
DB08932	Macitentan	BE0000043	EDNRB	P24530	EDNRB_HUMAN	antagonist	22862294; 29719121; 29540357	"Bolli MH, Boss C, Binkert C, Buchmann S, Bur D, Hess P, Iglarz M, Meyer S, Rein J, Rey M, Treiber A, Clozel M, Fischli W, Weller T: The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-p ropylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. J Med Chem. 2012 Sep 13;55(17):7849-61. doi: 10.1021/jm3009103. Epub 2012 Aug 16.@@Bedan M, Grimm D, Wehland M, Simonsen U, Infanger M, Kruger M: A Focus on Macitentan in the Treatment of Pulmonary Arterial Hypertension. Basic Clin Pharmacol Toxicol. 2018 Aug;123(2):103-113. doi: 10.1111/bcpt.13033. Epub 2018 Jun 5.@@Thenappan T, Ormiston ML, Ryan JJ, Archer SL: Pulmonary arterial hypertension: pathogenesis and clinical management. BMJ. 2018 Mar 14;360:j5492. doi: 10.1136/bmj.j5492."	Approved	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Endothelin A Receptor Antagonists; Antihypertensives for Pulmonary Arterial Hypertension; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Endothelin B Receptor Antagonists; Sulfones; Vasodilating Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Endothelin Receptor Antagonists; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C19 Substrates	CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1					22162	175427162	D10135				Macitentan	CHEMBL2103873	1442132
DB08935	Obinutuzumab	BE0000066	MS4A1	P11836	CD20_HUMAN	antibody	19513948; 21317446; 33807678	"Robak T: GA-101, a third-generation, humanized and glyco-engineered anti-CD20 mAb for the treatment of B-cell lymphoid malignancies. Curr Opin Investig Drugs. 2009 Jun;10(6):588-96.@@Schnaiter A, Stilgenbauer S: Refractory chronic lymphocytic leukemia--new therapeutic strategies. Oncotarget. 2010 Nov;1(7):472-82. doi: 10.18632/oncotarget.101103.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Myelosuppressive Agents; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; CD20 (Clusters of Differentiation 20) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Hypotensive Agents; Immunotherapy; Proteins; Antineoplastic Agents; Antigens, CD20; Immunoglobulins; CD20-directed Antibody Interactions; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; CD20-directed Cytolytic Antibody; Blood Proteins"						22546	347910388	D09321				Obinutuzumab		974779
DB08936	Chlorcyclizine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	21058326	"Enright BP, Gu YZ, Snyder RD, Dugyala RR, Obert LA, Treinen KA, McIntyre BS, Veneziale RW: Effects of the histamine H1 antagonist chlorcyclizine on rat fetal palate development. Birth Defects Res B Dev Reprod Toxicol. 2010 Dec;89(6):474-84. doi: 10.1002/bdrb.20261."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Potential QTc-Prolonging Agents; Piperazine Derivatives; QTc Prolonging Agents; Histamine Antagonists; Histamine H1 Antagonists; Antihistamines for Systemic Use	CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1		Chlorcyclizine H1-Antihistamine Action	drug_action			175427165					Chlorcyclizine	CHEMBL22150	2354
DB08950	Indoramin	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	7536677; 8183249	"Foglar R, Shibata K, Horie K, Hirasawa A, Tsujimoto G: Use of recombinant alpha 1-adrenoceptors to characterize subtype selectivity of drugs for the treatment of prostatic hypertrophy. Eur J Pharmacol. 1995 Jan 16;288(2):201-7.@@Forray C, Bard JA, Wetzel JM, Chiu G, Shapiro E, Tang R, Lepor H, Hartig PR, Weinshank RL, Branchek TA, et al.: The alpha 1-adrenergic receptor that mediates smooth muscle contraction in human prostate has the pharmacological properties of the cloned human alpha 1c subtype. Mol Pharmacol. 1994 Apr;45(4):703-8."	Approved; Withdrawn	Tryptamines and derivatives	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives	"Peripheral alpha-1 blockers; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Adrenergic alpha-Antagonists; Amides; Benzene Derivatives; Indoles; Hypotensive Agents; Cardiovascular Agents; Benzoates; Antiadrenergic Agents, Peripherally Acting; Benzamides and benzamide derivatives; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Adrenergic Antagonists; Agents that produce hypertension; Piperidines; Neurotransmitter Agents; Adrenergic Agents"	O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1						310264915	D04531				Indoramin	CHEMBL279516	5784
DB08954	Ifenprodil	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	3365283; 27135925; 25462287; 7901753	"Seppala T, Stromberg C, Mattila MJ: Effects of the novel 5-hydroxytryptamine reuptake inhibitor indalpine and ethanol on psychomotor performance. Arzneimittelforschung. 1988 Jan;38(1):98-102.@@Tajima N, Karakas E, Grant T, Simorowski N, Diaz-Avalos R, Grigorieff N, Furukawa H: Activation of NMDA receptors and the mechanism of inhibition by ifenprodil. Nature. 2016 Jun 2;534(7605):63-8. doi: 10.1038/nature17679. Epub 2016 May 2.@@Zhu S, Paoletti P: Allosteric modulators of NMDA receptors: multiple sites and mechanisms. Curr Opin Pharmacol. 2015 Feb;20:14-23. doi: 10.1016/j.coph.2014.10.009. Epub 2014 Nov 12.@@Williams K: Ifenprodil discriminates subtypes of the N-methyl-D-aspartate receptor: selectivity and mechanisms at recombinant heteromeric receptors. Mol Pharmacol. 1993 Oct;44(4):851-9."	Investigational; Withdrawn	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists	CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1						310264919	D08064				Ifenprodil	CHEMBL305187	27403
DB08954	Ifenprodil	BE0001028	KCNJ3	P48549	KCNJ3_HUMAN	antagonist	16123769	"Kobayashi T, Washiyama K, Ikeda K: Inhibition of G protein-activated inwardly rectifying K+ channels by ifenprodil. Neuropsychopharmacology. 2006 Mar;31(3):516-24. doi: 10.1038/sj.npp.1300844."	Investigational; Withdrawn	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists	CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1						310264919	D08064				Ifenprodil	CHEMBL305187	27403
DB08954	Ifenprodil	BE0001030	KCNJ6	P48051	KCNJ6_HUMAN	antagonist	16123769	"Kobayashi T, Washiyama K, Ikeda K: Inhibition of G protein-activated inwardly rectifying K+ channels by ifenprodil. Neuropsychopharmacology. 2006 Mar;31(3):516-24. doi: 10.1038/sj.npp.1300844."	Investigational; Withdrawn	4-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	Excitatory Amino Acid Agents; Peripheral Vasodilators; Cardiovascular Agents; Anti-Parkinson Drugs; Central Nervous System Depressants; Experimental Unapproved Treatments for COVID-19; Excitatory Amino Acid Antagonists; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Adrenergic alpha-Antagonists; Agents that produce hypertension; Adrenergic Agents; Anticonvulsants; NMDA Receptor Antagonists	CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1						310264919	D08064				Ifenprodil	CHEMBL305187	27403
DB08960	Hexamethonium	BE0000738	CHRNA2	Q15822	ACHA2_HUMAN	antagonist	12183644; 8232788	"Zhou X, Ren J, Brown E, Schneider D, Caraballo-Lopez Y, Galligan JJ: Pharmacological properties of nicotinic acetylcholine receptors expressed by guinea pig small intestinal myenteric neurons. J Pharmacol Exp Ther. 2002 Sep;302(3):889-97. doi: 10.1124/jpet.102.033548.@@Loiacono R, Stephenson J, Stevenson J, Mitchelson F: Multiple binding sites for nicotine receptor antagonists in inhibiting [3H](-)-nicotine binding in rat cortex. Neuropharmacology. 1993 Sep;32(9):847-53."	Experimental	Hexamethonium compounds	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Anticholinergic Agents; Cardiovascular Agents; Quaternary Ammonium Compounds; Nicotinic Antagonists; Amines; Central Nervous System Depressants; Muscle Relaxants; Onium Compounds; Antihypertensive Agents; Neurotransmitter Agents; Ganglion Blockers; Bis-Trimethylammonium Compounds; Cholinergic Agents; Hexamethonium Compounds; Muscle Relaxants, Peripherally Acting Agents; Peripheral Nervous System Agents; Autonomic Agents"	C[N+](C)(C)CCCCCC[N+](C)(C)C						310264925					Hexamethonium	CHEMBL100622	
DB08964	Gemeprost	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	7834185; 28439968	"Qian YM, Jones RL, Chan KM, Stock AI, Ho JK: Potent contractile actions of prostanoid EP3-receptor agonists on human isolated pulmonary artery. Br J Pharmacol. 1994 Oct;113(2):369-74.@@Matsuya H, Sekido N, Kida J, Mashimo H, Wakamatsu D, Okada H: Effects of an EP2 and EP3 Receptor Dual Agonist, ONO-8055, on a Radical Hysterectomy-Induced Underactive Bladder Model in Monkeys. Low Urin Tract Symptoms. 2017 Apr 25. doi: 10.1111/luts.12166."	Approved; Withdrawn	Fatty alcohols	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols	"Reproductive Control Agents; Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Uterotonic agents; Prostaglandins; Lipids; Autacoids; Abortifacient Agents; Prostaglandins E, Synthetic; Fatty Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Eicosanoids; Fatty Acids, Unsaturated; Abortifacient Agents, Nonsteroidal"	CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC						310264927	D02073				Gemeprost	CHEMBL1908315	12449
DB08995	Diosmin	BE0003721	AHR	P35869	AHR_HUMAN	agonist	14644660; 9661887; 33302042	"Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82.@@Ciolino HP, Wang TT, Yeh GC: Diosmin and diosmetin are agonists of the aryl hydrocarbon receptor that differentially affect cytochrome P450 1A1 activity. Cancer Res. 1998 Jul 1;58(13):2754-60.@@Lee J, Song KM, Jung CH: Diosmin restores the skin barrier by targeting the aryl hydrocarbon receptor in atopic dermatitis. Phytomedicine. 2021 Jan;81:153418. doi: 10.1016/j.phymed.2020.153418. Epub 2020 Nov 25."	Approved; Investigational	Flavonoid-7-O-glycosides	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides	"OATP1B1/SLCO1B1 Inhibitors; Benzopyrans; Pyrans; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Flavonoids; Cytochrome P-450 CYP2E1 Inhibitors; Flavones; Capillary Stabilizing Agents; Vasoprotectives"	COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1						310264956	D07858				Diosmin	CHEMBL231884	3489
DB09006	Clinofibrate	BE0000071	PPARA	Q07869	PPARA_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates"	CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O						310264965	D01300				Clinofibrate	CHEMBL1897738	
DB09006	Clinofibrate	BE0000215	PPARG	P37231	PPARG_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates"	CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O						310264965	D01300				Clinofibrate	CHEMBL1897738	
DB09006	Clinofibrate	BE0001007	PPARD	Q03181	PPARD_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Hydroxy Acids; Acids, Acyclic; Acetates; Glycolates"	CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O						310264965	D01300				Clinofibrate	CHEMBL1897738	
DB09014	Captodiame	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	23863923	"Ring RM, Regan CM: Captodiamine, a putative antidepressant, enhances hypothalamic BDNF expression in vivo by synergistic 5-HT2c receptor antagonism and sigma-1 receptor agonism. J Psychopharmacol. 2013 Oct;27(10):930-9. doi: 10.1177/0269881113497614. Epub 2013 Jul 17."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Psycholeptics; Anti-Anxiety Agents; Serotonin Agents; Diphenylmethane Derivatives; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Serotonin Receptor Antagonists; Antidepressive Agents	CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1						310264972	D07316				Captodiame	CHEMBL2110809	89812
DB09014	Captodiame	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	23863923	"Ring RM, Regan CM: Captodiamine, a putative antidepressant, enhances hypothalamic BDNF expression in vivo by synergistic 5-HT2c receptor antagonism and sigma-1 receptor agonism. J Psychopharmacol. 2013 Oct;27(10):930-9. doi: 10.1177/0269881113497614. Epub 2013 Jul 17."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Psycholeptics; Anti-Anxiety Agents; Serotonin Agents; Diphenylmethane Derivatives; Central Nervous System Depressants; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Nervous System; Serotonin Receptor Antagonists; Antidepressive Agents	CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1						310264972	D07316				Captodiame	CHEMBL2110809	89812
DB09016	Butriptyline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	antagonist	6086881; 3816971; 9537821	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Wander TJ, Nelson A, Okazaki H, Richelson E: Antagonism by antidepressants of serotonin S1 and S2 receptors of normal human brain in vitro. Eur J Pharmacol. 1986 Dec 16;132(2-3):115-21.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Withdrawn	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Psychoanaleptics; Benzocycloheptenes; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs"							347910390	D07601				Butriptyline	CHEMBL2110816	19895
DB09016	Butriptyline	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	6086881; 3816971; 9537821	"Richelson E, Nelson A: Antagonism by antidepressants of neurotransmitter receptors of normal human brain in vitro. J Pharmacol Exp Ther. 1984 Jul;230(1):94-102.@@Wander TJ, Nelson A, Okazaki H, Richelson E: Antagonism by antidepressants of serotonin S1 and S2 receptors of normal human brain in vitro. Eur J Pharmacol. 1986 Dec 16;132(2-3):115-21.@@Tatsumi M, Groshan K, Blakely RD, Richelson E: Pharmacological profile of antidepressants and related compounds at human monoamine transporters. Eur J Pharmacol. 1997 Dec 11;340(2-3):249-58."	Approved; Withdrawn	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Central Nervous System Depressants; Histamine Antagonists; Psychoanaleptics; Benzocycloheptenes; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System; Narrow Therapeutic Index Drugs"							347910390	D07601				Butriptyline	CHEMBL2110816	19895
DB09017	Brotizolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Investigational; Withdrawn	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics	CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl						310264974	D01744				Brotizolam	CHEMBL32479	19790
DB09017	Brotizolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Investigational; Withdrawn	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Hypnotics and Sedatives; Cytochrome P-450 CYP3A Substrates; Benzodiazepine hypnotics and sedatives; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics	CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl						310264974	D01744				Brotizolam	CHEMBL32479	19790
DB09018	Bromopride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	14871277	"Tonini M, Cipollina L, Poluzzi E, Crema F, Corazza GR, De Ponti F: Review article: clinical implications of enteric and central D2 receptor blockade by antidopaminergic gastrointestinal prokinetics. Aliment Pharmacol Ther. 2004 Feb 15;19(4):379-90."	Investigational	Aminophenyl ethers	Organic compounds; Benzenoids; Phenol ethers; Aminophenyl ethers	"Hydroxybenzoate Ethers; Amides; Hydroxybenzoates; Benzene Derivatives; Gastrointestinal Agents; Autonomic Agents; Benzoates; Hydroxy Acids; Phenols; Benzamides and benzamide derivatives; Dopamine Antagonists; Alimentary Tract and Metabolism; Dopamine D2 Receptor Antagonists; Aminobenzoates; Acids, Carbocyclic; Propulsives; para-Aminobenzoates; Peripheral Nervous System Agents; Phenyl Ethers; Chlorobenzoates; Central Nervous System Agents; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Antiemetics; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(Br)=C(N)C=C1OC						310264975	D07101				Bromopride	CHEMBL399510	19768
DB09019	Bromhexine	BE0000982	ACE2	Q9BYF1	ACE2_HUMAN	binder	32995775; 33045350	"Olaleye OA, Kaur M, Onyenaka CC: Ambroxol Hydrochloride Inhibits the Interaction between Severe Acute Respiratory Syndrome Coronavirus 2 Spike Protein's Receptor Binding Domain and Recombinant Human ACE2. bioRxiv. 2020 Sep 14. doi: 10.1101/2020.09.13.295691.@@Alkotaji M: Azithromycin and ambroxol as potential pharmacotherapy for SARS-CoV-2. Int J Antimicrob Agents. 2020 Dec;56(6):106192. doi: 10.1016/j.ijantimicag.2020.106192. Epub 2020 Oct 10."	Approved	Phenylmethylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	Aniline Compounds; Cycloparaffins; Amines; Cough and Cold Preparations; Respiratory System Agents; Cyclohexanes; Expectorants; Cyclohexylamines	CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1						310264976	D07542				Bromhexine	CHEMBL253376	1753
DB09020	Bisacodyl	BE0010055	ATP1A1	P54710	ATNG_HUMAN	inhibitor	6253843	"Schreiner J, Nell G, Loeschke K: Effect of diphenolic laxatives on Na+-K+-activated ATPase and cyclic nucleotide content of rat colon mucosa in vivo. Naunyn Schmiedebergs Arch Pharmacol. 1980 Sep;313(3):249-55. doi: 10.1007/BF00505741."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Contact Laxatives; Enemas; Increased Large Intestinal Motility; Stimulation Large Intestine Fluid/Electrolyte Secretion; Cresols; Laxatives; Phenols; Benzene Derivatives; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation	CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1					10193	310264977	D00245				Bisacodyl	CHEMBL942	1596
DB09026	Aliskiren	BE0000270	REN	P00797	RENI_HUMAN	inhibitor	11799102; 12927775; 16467656; 16508564; 16965731; 21687346	"Nussberger J, Wuerzner G, Jensen C, Brunner HR: Angiotensin II suppression in humans by the orally active renin inhibitor Aliskiren (SPP100): comparison with enalapril. Hypertension. 2002 Jan;39(1):E1-8.@@Wood JM, Maibaum J, Rahuel J, Grutter MG, Cohen NC, Rasetti V, Ruger H, Goschke R, Stutz S, Fuhrer W, Schilling W, Rigollier P, Yamaguchi Y, Cumin F, Baum HP, Schnell CR, Herold P, Mah R, Jensen C, O'Brien E, Stanton A, Bedigian MP: Structure-based design of aliskiren, a novel orally effective renin inhibitor. Biochem Biophys Res Commun. 2003 Sep 5;308(4):698-705.@@Menard J, Guyene TT, Peyrard S, Azizi M: Conformational changes in prorenin during renin inhibition in vitro and in vivo. J Hypertens. 2006 Mar;24(3):529-34.@@Azizi M, Webb R, Nussberger J, Hollenberg NK: Renin inhibition with aliskiren: where are we now, and where are we going? J Hypertens. 2006 Feb;24(2):243-56.@@Gradman AH, Vivas Y: New drugs for hypertension: what do they offer? Curr Hypertens Rep. 2006 Oct;8(5):425-32.@@Wal P, Wal A, Rai AK, Dixit A: Aliskiren: An orally active renin inhibitor. J Pharm Bioallied Sci. 2011 Apr;3(2):189-93. doi: 10.4103/0975-7406.80764."	Approved; Investigational	Delta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Protease Inhibitors; Dicarboxylic Acids; Methyl Ethers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Ethers; Acids, Acyclic; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Renin Inhibitors"	COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1					20175	310264980	D03208	PA143487910			Aliskiren	CHEMBL1639	325646
DB09028	Cytisine	BE0000849	CHRNA4	P43681	ACHA4_HUMAN	agonist	25517706; 11553677	"Walker N, Howe C, Glover M, McRobbie H, Barnes J, Nosa V, Parag V, Bassett B, Bullen C: Cytisine versus nicotine for smoking cessation. N Engl J Med. 2014 Dec 18;371(25):2353-62. doi: 10.1056/NEJMoa1407764.@@Houlihan LM, Slater Y, Guerra DL, Peng JH, Kuo YP, Lukas RJ, Cassels BK, Bermudez I: Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43."	Experimental	Cytisine and derivatives	Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives	"Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors"	O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12						310264982	D07770				Cytisine	CHEMBL497939	1723152
DB09028	Cytisine	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	agonist	25517706; 11553677	"Walker N, Howe C, Glover M, McRobbie H, Barnes J, Nosa V, Parag V, Bassett B, Bullen C: Cytisine versus nicotine for smoking cessation. N Engl J Med. 2014 Dec 18;371(25):2353-62. doi: 10.1056/NEJMoa1407764.@@Houlihan LM, Slater Y, Guerra DL, Peng JH, Kuo YP, Lukas RJ, Cassels BK, Bermudez I: Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. J Neurochem. 2001 Sep;78(5):1029-43."	Experimental	Cytisine and derivatives	Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives	"Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors"	O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12						310264982	D07770				Cytisine	CHEMBL497939	1723152
DB09028	Cytisine	BE0000850	CHRNB2	P17787	ACHB2_HUMAN	partial agonist	20331614	"Rollema H, Shrikhande A, Ward KM, Tingley FD 3rd, Coe JW, O'Neill BT, Tseng E, Wang EQ, Mather RJ, Hurst RS, Williams KE, de Vries M, Cremers T, Bertrand S, Bertrand D: Pre-clinical properties of the alpha4beta2 nicotinic acetylcholine receptor partial agonists varenicline, cytisine and dianicline translate to clinical efficacy for nicotine dependence. Br J Pharmacol. 2010 May;160(2):334-45. doi: 10.1111/j.1476-5381.2010.00682.x. Epub 2010 Mar 22."	Experimental	Cytisine and derivatives	Organic compounds; Alkaloids and derivatives; Lupin alkaloids; Cytisine and derivatives	"Drugs Used in Addictive Disorders; Heterocyclic Compounds, Fused-Ring; Drugs Used in Nicotine Dependence; Alkaloids; Quinolizidines; Nervous System; Quinolizines; Nicotine, antagonists & inhibitors"	O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12						310264982	D07770				Cytisine	CHEMBL497939	1723152
DB09031	Miltefosine	BE0001032	ABCB1	P08183	MDR1_HUMAN		11355955	"Rybczynska M, Liu R, Lu P, Sharom FJ, Steinfels E, Pietro AD, Spitaler M, Grunicke H, Hofmann J: MDR1 causes resistance to the antitumour drug miltefosine. Br J Cancer. 2001 May 18;84(10):1405-11."	Approved; Investigational	Phosphocholines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts	"Quaternary Ammonium Compounds; Anti-Infective Agents; Onium Compounds; Amines; Trimethyl Ammonium Compounds; Antifungal Agents; Antileishmanial; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Agents Against Leishmaniasis and Trypanosomiasis; Antiparasitic Agents; Antineoplastic Agents"	CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C						310264984	D02494				Miltefosine	CHEMBL125	1494066
DB09033	Vedolizumab	BE0000590	ITGA4	P13612	ITA4_HUMAN	antibody	19509315	"Soler D, Chapman T, Yang LL, Wyant T, Egan R, Fedyk ER: The binding specificity and selective antagonism of vedolizumab, an anti-alpha4beta7 integrin therapeutic antibody in development for inflammatory bowel diseases. J Pharmacol Exp Ther. 2009 Sep;330(3):864-75. doi: 10.1124/jpet.109.153973. Epub  2009 Jun 9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Integrin Receptor Antagonist; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antibodies; Immunotherapy; Proteins; Miscellaneous GI Drugs; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins"						22569	347910392	D08083				Vedolizumab	CHEMBL1743087	1538097
DB09033	Vedolizumab	BE0003414	ITGB7	P26010	ITB7_HUMAN	antibody	19509315	"Soler D, Chapman T, Yang LL, Wyant T, Egan R, Fedyk ER: The binding specificity and selective antagonism of vedolizumab, an anti-alpha4beta7 integrin therapeutic antibody in development for inflammatory bowel diseases. J Pharmacol Exp Ther. 2009 Sep;330(3):864-75. doi: 10.1124/jpet.109.153973. Epub  2009 Jun 9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Integrin Receptor Antagonist; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antibodies; Immunotherapy; Proteins; Miscellaneous GI Drugs; Immunoglobulins; Selective Immunosuppressants; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Blood Proteins"						22569	347910392	D08083				Vedolizumab	CHEMBL1743087	1538097
DB09034	Suvorexant	BE0005865	HCRTR2	O43614	OX2R_HUMAN	antagonist	23702225	"Palasz A, Lapray D, Peyron C, Rojczyk-Golebiewska E, Skowronek R, Markowski G, Czajkowska B, Krzystanek M, Wiaderkiewicz R: Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders. Int J Neuropsychopharmacol. 2014 Jan;17(1):157-68. doi: 10.1017/S1461145713000552. Epub 2013 May 23."	Approved; Investigational	"N,N-dialkyl-m-toluamides"	Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes	"Orexin Receptor Antagonists; P-glycoprotein inhibitors; Sleep Aids, Pharmaceutical; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Hypnotics and Sedatives; Miscellaneous Anxiolytics Sedatives and Hypnotics; Neurotransmitter Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Psycholeptics"	[H][C@@]1(C)CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2					23022	310264985	D10082				Suvorexant	CHEMBL1083659	1547099
DB09035	Nivolumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	33807678	"Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Adjuvants, Immunologic; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Immunoglobulin G; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Blood Proteins"						22643	347910393	D10316				Nivolumab	CHEMBL2108738	1597876
DB09037	Pembrolizumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	33807678	"Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Blood Proteins"						22604	347910395	D10574				Pembrolizumab	CHEMBL3137343	1547545
DB09039	Eliglustat	BE0000477	UGCG	Q16739	CEGT_HUMAN	inhibitor	25239269	Poole RM: Eliglustat: first global approval. Drugs. 2014 Oct;74(15):1829-36. doi: 10.1007/s40265-014-0296-3.	Approved; Investigational	"Benzo-1,4-dioxanes"	"Organic compounds; Organoheterocyclic compounds; Benzodioxanes; Benzo-1,4-dioxanes"	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Glucosylceramide Synthase Inhibitors; P-glycoprotein substrates; Alimentary Tract and Metabolism; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Glucosylceramide Synthase Inhibitor; Gaucher Disease; Various Alimentary Tract and Metabolism Products; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Highest Risk QTc-Prolonging Agents; Other Miscellaneous Therapeutic Agents	CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1					22865	310264987	D09893	PA166123486			Eliglustat	CHEMBL2110588	1547220
DB09046	Metreleptin	BE0003376	LEPR	P48357	LEPR_HUMAN	agonist	25249580	"Moon HS, Huh JY, Dincer F, Schneider BE, Hasselgren PO, Mantzoros CS: Identification and saturable nature of signaling pathways induced by metreleptin in humans: comparative evaluation of in vivo, ex vivo, and in vitro administration. Diabetes. 2015 Mar;64(3):828-39. doi: 10.2337/db14-0625. Epub 2014 Sep 23."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Analogs/Derivatives; Obesity, drug therapy; Biological Factors; Intercellular Signaling Peptides and Proteins; Peptide Hormones; Adipokines; Leptin Analog; Amino Acids and Derivatives; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347910398	D05014		P41159		Metreleptin	CHEMBL2107857	1491625
DB09048	Netupitant	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	25687374	"Darmani NA, Zhong W, Chebolu S, Mercadante F: Differential and additive suppressive effects of 5-HT3 (palonosetron)- and NK1 (netupitant)-receptor antagonists on cisplatin-induced vomiting and ERK1/2, PKA and PKC activation. Pharmacol Biochem Behav. 2015 Apr;131:104-11. doi: 10.1016/j.pbb.2015.02.010. Epub 2015 Feb 14."	Approved; Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Acetamides; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Netupitant and prodrug; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Neurokinin 1 Antagonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1					22906	310264992	D10572				Netupitant	CHEMBL206253	1552337
DB09054	Idelalisib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor			Approved	6-alkylaminopurines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Class Ia Phosphatidylinositol 3-Kinase, antagonists & inhibitors; OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Cancer immunotherapy; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; UGT1A4 Inhibitors; Hepatotoxic Agents; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates; Quinazolines; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1					22590	310264996	D10560				Idelalisib	CHEMBL2216870	1544460
DB09059	Atosiban	BE0000844	OXTR	P30559	OXYR_HUMAN	antagonist	12763125; 26586210; 15705593; 10519430; 21079937; 18492294	"Lamont RF: The development and introduction of anti-oxytocic tocolytics. BJOG. 2003 Apr;110 Suppl 20:108-12.@@Kim SH, MacIntyre DA, Hanyaloglu AC, Blanks AM, Thornton S, Bennett PR, Terzidou V: The oxytocin receptor antagonist, Atosiban, activates pro-inflammatory pathways in human amnion via G(alphai) signalling. Mol Cell Endocrinol. 2016 Jan 15;420:11-23. doi: 10.1016/j.mce.2015.11.012. Epub  2015 Nov 14.@@Reversi A, Rimoldi V, Marrocco T, Cassoni P, Bussolati G, Parenti M, Chini B: The oxytocin receptor antagonist atosiban inhibits cell growth via a ""biased agonist"" mechanism. J Biol Chem. 2005 Apr 22;280(16):16311-8. doi: 10.1074/jbc.M409945200. Epub 2005  Feb 10.@@Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53.@@Fabry I, De Paepe P, Kips J, Vermeersch S, Van Bortel L: Different effects of tocolytic medication on blood pressure and blood pressure amplification. Eur J Clin Pharmacol. 2011 Jan;67(1):11-7. doi: 10.1007/s00228-010-0926-y. Epub 2010 Nov 16.@@de Heus R, Mulder EJ, Derks JB, Visser GH: Acute tocolysis for uterine activity reduction in term labor: a review. Obstet Gynecol Surv. 2008 Jun;63(6):383-8; quiz 405. doi: 10.1097/OGX.0b013e31816ff75b."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Peptide Hormones; Peptides; Pituitary Hormones, Posterior; Genito Urinary System and Sex Hormones; Hormone Antagonists; Pituitary Hormones; Tocolytic Agents; Amino Acids, Peptides, and Proteins; Reproductive Control Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O							D03008				Atosiban	CHEMBL382301	59639
DB09061	Cannabidiol	BE0000095	CNR2	P34972	CNR2_HUMAN	antagonist			Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000433	GLRA1	P23415	GLRA1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0004857	GLRA1	P48167	GLRB_HUMAN	allosteric modulator	26264914; 19204413	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Ahrens J, Demir R, Leuwer M, de la Roche J, Krampfl K, Foadi N, Karst M, Haeseler G: The nonpsychotropic cannabinoid cannabidiol modulates and directly activates alpha-1 and alpha-1-Beta glycine receptor function. Pharmacology. 2009;83(4):217-22. doi: 10.1159/000201556. Epub 2009 Feb 10."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000414	GLRA3	O75311	GLRA3_HUMAN	potentiator	26264914; 22585736	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Xiong W, Cui T, Cheng K, Yang F, Chen SR, Willenbring D, Guan Y, Pan HL, Ren K, Xu Y, Zhang L: Cannabinoids suppress inflammatory and neuropathic pain by targeting alpha3 glycine receptors. J Exp Med. 2012 Jun 4;209(6):1121-34. doi: 10.1084/jem.20120242. Epub 2012 May 14."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0005802	GPR55	Q9Y2T6	GPR55_HUMAN	antagonist	26264914; 17876302	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Ryberg E, Larsson N, Sjogren S, Hjorth S, Hermansson NO, Leonova J, Elebring T, Nilsson K, Drmota T, Greasley PJ: The orphan receptor GPR55 is a novel cannabinoid receptor. Br J Pharmacol. 2007 Dec;152(7):1092-101. doi: 10.1038/sj.bjp.0707460. Epub 2007 Sep 17."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	26264914; 24288245	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Scuderi C, Steardo L, Esposito G: Cannabidiol promotes amyloid precursor protein ubiquitination and reduction of beta amyloid expression in SHSY5YAPP+ cells through PPARgamma involvement. Phytother Res. 2014 Jul;28(7):1007-13. doi: 10.1002/ptr.5095. Epub 2013 Nov 28."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	activator	26264914; 11606325; 25029033; 21175579	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Bisogno T, Hanus L, De Petrocellis L, Tchilibon S, Ponde DE, Brandi I, Moriello AS, Davis JB, Mechoulam R, Di Marzo V: Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide. Br J Pharmacol. 2001 Oct;134(4):845-52. doi: 10.1038/sj.bjp.0704327.@@Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000483	CACNA1G	O43497	CAC1G_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0001122	TRPA1	O75762	TRPA1_HUMAN	agonist	26264914; 21175579	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN	activator	26264914; 21726418	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@De Petrocellis L, Orlando P, Moriello AS, Aviello G, Stott C, Izzo AA, Di Marzo V: Cannabinoid actions at TRPV channels: effects on TRPV3 and TRPV4 and their potential relevance to gastrointestinal inflammation. Acta Physiol (Oxf). 2012 Feb;204(2):255-66. doi: 10.1111/j.1748-1716.2011.02338.x. Epub 2011 Aug 12."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0009159	TRPV4	Q9HBA0	TRPV4_HUMAN	activator	21726418	"De Petrocellis L, Orlando P, Moriello AS, Aviello G, Stott C, Izzo AA, Di Marzo V: Cannabinoid actions at TRPV channels: effects on TRPV3 and TRPV4 and their potential relevance to gastrointestinal inflammation. Acta Physiol (Oxf). 2012 Feb;204(2):255-66. doi: 10.1111/j.1748-1716.2011.02338.x. Epub 2011 Aug 12."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0002468	VDAC1	P21796	VDAC1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000013	ADORA1	P30542	AA1R_HUMAN	activator	24853683	"Gonca E, Darici F: The effect of cannabidiol on ischemia/reperfusion-induced ventricular arrhythmias: the role of adenosine A1 receptors. J Cardiovasc Pharmacol Ther. 2015 Jan;20(1):76-83. doi: 10.1177/1074248414532013. Epub 2014 May 22."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000069	ACAT1	P24752	THIL_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000574	HMGCR	P04035	HMDH_HUMAN	stimulator	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0000648	GSR	P00390	GSHR_HUMAN	stimulator	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN	inhibitor	26264914; 24160757	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Stout SM, Cimino NM: Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic review. Drug Metab Rev. 2014 Feb;46(1):86-95. doi: 10.3109/03602532.2013.849268. Epub 2013 Oct 25."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0002390	SOD1	P00441	SODC_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0003612	CYP3A7	P24462	CP3A7_HUMAN	inhibitor	26264914; 24160757	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Stout SM, Cimino NM: Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic review. Drug Metab Rev. 2014 Feb;46(1):86-95. doi: 10.3109/03602532.2013.849268. Epub 2013 Oct 25."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09061	Cannabidiol	BE0009156	NAAA	Q02083	NAAA_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Approved; Investigational	Aromatic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Agonists; Cannabinoids and similars; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Serotonin 5-HT1 Receptor Agonists; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Serotonin 5-HT2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Terpenes; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Agents that produce hypertension; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2A6 Inhibitors (weak); Serotonin Agents; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1					14448	347827820					Cannabidiol	CHEMBL190461	2045371
DB09063	Ceritinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	antagonist	17185414; 23742252	"Galkin AV, Melnick JS, Kim S, Hood TL, Li N, Li L, Xia G, Steensma R, Chopiuk G, Jiang J, Wan Y, Ding P, Liu Y, Sun F, Schultz PG, Gray NS, Warmuth M: Identification of NVP-TAE684, a potent, selective, and efficacious inhibitor of NPM-ALK. Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):270-5. Epub 2006 Dec 21.@@Marsilje TH, Pei W, Chen B, Lu W, Uno T, Jin Y, Jiang T, Kim S, Li N, Warmuth M, Sarkisova Y, Sun F, Steffy A, Pferdekamper AC, Li AG, Joseph SB, Kim Y, Liu B, Tuntland T, Cui X, Gray NS, Steensma R, Wan Y, Jiang J, Chopiuk G, Li J, Gordon WP, Richmond W, Johnson K, Chang J, Groessl T, He YQ, Phimister A, Aycinena A, Lee CC, Bursulaya B, Karanewsky DS, Seidel HM, Harris JL, Michellys PY: Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulf onyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase 2 clinical trials. J Med Chem. 2013 Jul 25;56(14):5675-90. doi: 10.1021/jm400402q. Epub 2013 Jun 26."	Approved	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Receptor Protein-Tyrosine Kinases, antagonists & inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC(C)OC1=C(NC2=NC=C(Cl)C(N2)=NC2=CC=CC=C2S(=O)(=O)C(C)C)C=C(C)C(=C1)C1CCNCC1					22568	310264998	D10551				Ceritinib	CHEMBL2403108	1535457
DB09064	Ciprofibrate	BE0000071	PPARA	Q07869	PPARA_HUMAN		16731579	"Vanden Heuvel JP, Thompson JT, Frame SR, Gillies PJ: Differential activation of nuclear receptors by perfluorinated fatty acid analogs and natural fatty acids: a comparison of human, mouse, and rat peroxisome proliferator-activated receptor-alpha, -beta, and -gamma, liver X receptor-beta, and retinoid X receptor-alpha. Toxicol Sci. 2006 Aug;92(2):476-89. Epub 2006 May 26."	Approved; Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Fibric Acids; Agents Causing Muscle Toxicity; Lipid Modifying Agents, Plain; Phenyl Ethers; Phenols; Carcinogens; Ethers; Acids, Acyclic; Noxae; Isobutyrates; Benzene Derivatives; Lipid Modifying Agents; Peroxisome Proliferators; Toxic Actions; Hypolipidemic Agents; Butyrates; Lipid Regulating Agents"	CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O							D03521				Ciprofibrate	CHEMBL557555	21149
DB09065	Cobicistat	BE0003612	CYP3A7	P24462	CP3A7_HUMAN	inhibitor	28627229; 20043009	"Tseng A, Hughes CA, Wu J, Seet J, Phillips EJ: Cobicistat Versus Ritonavir: Similar Pharmacokinetic Enhancers But Some Important Differences. Ann Pharmacother. 2017 Nov;51(11):1008-1022. doi: 10.1177/1060028017717018. Epub 2017 Jun 19.@@Mathias AA, German P, Murray BP, Wei L, Jain A, West S, Warren D, Hui J, Kearney BP: Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity. Clin Pharmacol Ther. 2010 Mar;87(3):322-9. doi: 10.1038/clpt.2009.228. Epub 2009  Dec 30."	Approved	N-carbamoyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strong); Thiazoles; BCRP/ABCG2 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Carbamates; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Antivirals used in combination for the treatment of HIV infections; Anti-HIV Agents; Acids, Acyclic; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong); Sulfur Compounds; Other Miscellaneous Therapeutic Agents; Cytochrome P-450 CYP3A7 Substrates"	CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1					21508	310264999	D09881	PA166165092			Cobicistat	CHEMBL2095208	1306284
DB09066	Corifollitropin alfa	BE0000387	FSHR	P23945	FSHR_HUMAN	agonist	19337959; 21850281	"Loutradis D, Drakakis P, Vlismas A, Antsaklis A: Corifollitropin alfa, a long-acting follicle-stimulating hormone agonist for the treatment of infertility. Curr Opin Investig Drugs. 2009 Apr;10(4):372-80.@@de Lartigue J: Corifollitropin alfa: a new option to treat female infertility. Drugs Today (Barc). 2011 Aug;47(8):583-90. doi: 10.1358/dot.2011.47.8.1635872."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Peptide Hormones; Pituitary Hormones, Anterior; Gonadotropins; Follicle Stimulating Hormone; Hormones; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Drugs that are Mainly Renally Excreted; Pituitary Hormones; Gonadotropins, Pituitary; Hormones, Hormone Substitutes, and Hormone Antagonists"												Gonadotropin_preparations		
DB09067	Corticorelin ovine triflutate	BE0008658	CRHR1	P34998	CRFR1_HUMAN	ligand			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Pituitary Hormone-Releasing Hormones; Diagnostic Agents; Peptide Hormones; Nerve Tissue Proteins; Hypothalamic Hormones; Neuropeptides; Peptides; Proteins; Tests for Pituitary Function; Amino Acids, Peptides, and Proteins; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							310265000	D03592				Corticorelin	CHEMBL1201591	74671
DB09068	Vortioxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	21486038	"Bang-Andersen B, Ruhland T, Jorgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, Mork A, Stensbol TB: Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21. doi: 10.1021/jm101459g. Epub 2011 Apr 12."	Approved; Investigational			Piperazines; Serotonin 5-HT1 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System	CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1					22527	310265001	D10184	PA166122595			Vortioxetine	CHEMBL2104993	1455099
DB09068	Vortioxetine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	21486038	"Bang-Andersen B, Ruhland T, Jorgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, Mork A, Stensbol TB: Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21. doi: 10.1021/jm101459g. Epub 2011 Apr 12."	Approved; Investigational			Piperazines; Serotonin 5-HT1 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System	CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1					22527	310265001	D10184	PA166122595			Vortioxetine	CHEMBL2104993	1455099
DB09068	Vortioxetine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	blocker	21486038	"Bang-Andersen B, Ruhland T, Jorgensen M, Smith G, Frederiksen K, Jensen KG, Zhong H, Nielsen SM, Hogg S, Mork A, Stensbol TB: Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder. J Med Chem. 2011 May 12;54(9):3206-21. doi: 10.1021/jm101459g. Epub 2011 Apr 12."	Approved; Investigational			Piperazines; Serotonin 5-HT1 Receptor Antagonists; Serotonin Receptor Agonists; Cytochrome P-450 CYP3A Substrates; Serotonin 5-HT3 Receptor Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP2C19 Substrates; Serotonin Modulators; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antidepressive Agents Indicated for Depression; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Serotonin Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Tranquilizing Agents; Neurotransmitter Agents; Nervous System	CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1					22527	310265001	D10184	PA166122595			Vortioxetine	CHEMBL2104993	1455099
DB09070	Tibolone	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist	19464167	"Escande A, Servant N, Rabenoelina F, Auzou G, Kloosterboer H, Cavailles V, Balaguer P, Maudelonde T: Regulation of activities of steroid hormone receptors by tibolone and its primary metabolites. J Steroid Biochem Mol Biol. 2009 Aug;116(1-2):8-14. doi: 10.1016/j.jsbmb.2009.03.008. Epub 2009 Apr 2."	Approved; Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Fused-Ring Compounds; Estrogens, Antiestrogens, and Estrogen Agonist-Antagonists; Cardiovascular Agents; Norpregnanes; Norsteroids; Estrogens; Antineoplastic Agents, Hormonal; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Anabolic Agents; Hormone Antagonists; Steroids; Hormones, Hormone Substitutes, and Hormone Antagonists; Hormones; Estrogen Receptor Modulators"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)CC3)C[C@@]([H])(C)[C@@]21[H]					1251	347827821	D01639				Tibolone	CHEMBL2103774	38260
DB09071	Tasimelteon	BE0000515	MTNR1A	P48039	MTR1A_HUMAN	agonist	25534555	"Lavedan C, Forsberg M, Gentile AJ: Tasimelteon: a selective and unique receptor binding profile. Neuropharmacology. 2015 Apr;91:142-7. doi: 10.1016/j.neuropharm.2014.12.004. Epub 2014 Dec 19."	Approved; Investigational	Coumarans	Organic compounds; Organoheterocyclic compounds; Coumarans	"Melatonin Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Cycloparaffins; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Receptors, Melatonin, agonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Psycholeptics"	CCC(=O)NC[C@@H]1C[C@H]1C1=CC=CC2=C1CCO2						310265003	D09388				Tasimelteon	CHEMBL2103822	1490468
DB09071	Tasimelteon	BE0000327	MTNR1B	P49286	MTR1B_HUMAN	agonist	25534555	"Lavedan C, Forsberg M, Gentile AJ: Tasimelteon: a selective and unique receptor binding profile. Neuropharmacology. 2015 Apr;91:142-7. doi: 10.1016/j.neuropharm.2014.12.004. Epub 2014 Dec 19."	Approved; Investigational	Coumarans	Organic compounds; Organoheterocyclic compounds; Coumarans	"Melatonin Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Cycloparaffins; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Drugs that are Mainly Renally Excreted; Receptors, Melatonin, agonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Psycholeptics"	CCC(=O)NC[C@@H]1C[C@H]1C1=CC=CC2=C1CCO2						310265003	D09388				Tasimelteon	CHEMBL2103822	1490468
DB09072	Sodium oxybate	BE0010194	GABBR1	O75899	GABR2_HUMAN	agonist	15538955; 18536781	"Brenneisen R, Elsohly MA, Murphy TP, Passarelli J, Russmann S, Salamone SJ, Watson DE: Pharmacokinetics and excretion of gamma-hydroxybutyrate (GHB) in healthy subjects. J Anal Toxicol. 2004 Nov-Dec;28(8):625-30.@@Owen RT: Sodium oxybate: efficacy, safety and tolerability in the treatment of narcolepsy with or without cataplexy. Drugs Today (Barc). 2008 Mar;44(3):197-204. doi: 10.1358/dot.2008.44.3.1162240."	Approved	Short-chain hydroxy acids and derivatives	Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Short-chain hydroxy acids and derivatives	"Adjuvants, Anesthesia; Hydroxybutyrates; Anesthetics, General; Central Nervous System Agents; Central Nervous System Depressants; Hydroxy Acids; Anesthetics, Intravenous; Anesthetics; Nervous System; Acids, Acyclic; Miscellaneous Central Nervous System Agents; Butyrates"	[Na+].OCCCC([O-])=O					15411	347827822					Sodium_oxybate	CHEMBL1200682	9899
DB09073	Palbociclib	BE0002216	CDK4	P11802	CDK4_HUMAN	inhibitor	15542782; 28203301	"Fry DW, Harvey PJ, Keller PR, Elliott WL, Meade M, Trachet E, Albassam M, Zheng X, Leopold WR, Pryer NK, Toogood PL: Specific inhibition of cyclin-dependent kinase 4/6 by PD 0332991 and associated antitumor activity in human tumor xenografts. Mol Cancer Ther. 2004 Nov;3(11):1427-38.@@Rocca A, Schirone A, Maltoni R, Bravaccini S, Cecconetto L, Farolfi A, Bronte G, Andreis D: Progress with palbociclib in breast cancer: latest evidence and clinical considerations. Ther Adv Med Oncol. 2017 Feb;9(2):83-105. doi: 10.1177/1758834016677961. Epub 2016 Nov 21."	Approved; Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cyclin-Dependent Kinases, antagonists & inhibitors; OCT1 inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Narrow Therapeutic Index Drugs"	CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O					22703	310265004	D10372	PA166153469			Palbociclib	CHEMBL189963	1601374
DB09073	Palbociclib	BE0002212	CDK6	Q00534	CDK6_HUMAN	inhibitor	15542782; 28203301	"Fry DW, Harvey PJ, Keller PR, Elliott WL, Meade M, Trachet E, Albassam M, Zheng X, Leopold WR, Pryer NK, Toogood PL: Specific inhibition of cyclin-dependent kinase 4/6 by PD 0332991 and associated antitumor activity in human tumor xenografts. Mol Cancer Ther. 2004 Nov;3(11):1427-38.@@Rocca A, Schirone A, Maltoni R, Bravaccini S, Cecconetto L, Farolfi A, Bronte G, Andreis D: Progress with palbociclib in breast cancer: latest evidence and clinical considerations. Ther Adv Med Oncol. 2017 Feb;9(2):83-105. doi: 10.1177/1758834016677961. Epub 2016 Nov 21."	Approved; Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Myelosuppressive Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cyclin-Dependent Kinases, antagonists & inhibitors; OCT1 inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Narrow Therapeutic Index Drugs"	CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O					22703	310265004	D10372	PA166153469			Palbociclib	CHEMBL189963	1601374
DB09074	Olaparib	BE0001717	PARP1	P09874	PARP1_HUMAN	inhibitor	25981132; 33114555; 30069770	"Verhagen CV, de Haan R, Hageman F, Oostendorp TP, Carli AL, O'Connor MJ, Jonkers J, Verheij M, van den Brekel MW, Vens C: Extent of radiosensitization by the PARP inhibitor olaparib depends on its dose, the radiation dose and the integrity of the homologous recombination pathway of tumor cells. Radiother Oncol. 2015 Sep;116(3):358-65. doi: 10.1016/j.radonc.2015.03.028. Epub  2015 May 13.@@Tavares TS, Hofman J, Lekesova A, Zelazkova J, Wsol V: Olaparib Synergizes the Anticancer Activity of Daunorubicin via Interaction with AKR1C3. Cancers (Basel). 2020 Oct 26;12(11). pii: cancers12113127. doi: 10.3390/cancers12113127.@@Bochum S, Berger S, Martens UM: Olaparib. Recent Results Cancer Res. 2018;211:217-233. doi: 10.1007/978-3-319-91442-8_15."	Approved	Phthalazinones	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP3A5 Inducers; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1					22712		D09730				Olaparib	CHEMBL521686	1597582
DB09074	Olaparib	BE0000592	AKR1C3	P42330	AK1C3_HUMAN	inhibitor	33114555	"Tavares TS, Hofman J, Lekesova A, Zelazkova J, Wsol V: Olaparib Synergizes the Anticancer Activity of Daunorubicin via Interaction with AKR1C3. Cancers (Basel). 2020 Oct 26;12(11). pii: cancers12113127. doi: 10.3390/cancers12113127."	Approved	Phthalazinones	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	OATP1B1/SLCO1B1 Inhibitors; Myelosuppressive Agents; OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Pyridazines; Cytochrome P-450 CYP3A5 Inducers; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown)	FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1					22712		D09730				Olaparib	CHEMBL521686	1597582
DB09076	Umeclidinium	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	23435542	"Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub  2013 Feb 22."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates"	OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2					22230	347827824	D10180				Umeclidinium_bromide	CHEMBL1187833	1487514
DB09076	Umeclidinium	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	23435542	"Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub  2013 Feb 22."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates"	OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2					22230	347827824	D10180				Umeclidinium_bromide	CHEMBL1187833	1487514
DB09076	Umeclidinium	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	23435542	"Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ, Slack RJ, Sarau HM, Palovich MR, Laine DI, Hay DW, Rumsey WL: Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases. J Pharmacol Exp Ther. 2013 May;345(2):260-70. doi: 10.1124/jpet.112.202051. Epub  2013 Feb 22."	Approved	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"OCT1 substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; Agents to Treat Airway Disease; Adrenergics, Inhalants; Drugs for Obstructive Airway Diseases; Agents producing tachycardia; P-glycoprotein substrates; Antimuscarinics Antispasmodics; Pulmonary Disease, Chronic Obstructive, drug therapy; OCT2 Substrates"	OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2					22230	347827824	D10180				Umeclidinium_bromide	CHEMBL1187833	1487514
DB09078	Lenvatinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09078	Lenvatinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	17943726	"Matsui J, Yamamoto Y, Funahashi Y, Tsuruoka A, Watanabe T, Wakabayashi T, Uenaka T, Asada M: E7080, a novel inhibitor that targets multiple kinases, has potent antitumor activities against stem cell factor producing human small cell lung cancer H146, based on angiogenesis inhibition. Int J Cancer. 2008 Feb 1;122(3):664-71."	Approved; Investigational	Quinoline carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; Receptor Tyrosine Kinase Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O					22675	310265006	D09919	PA166153472			Lenvatinib	CHEMBL1289601	1603296
DB09079	Nintedanib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09079	Nintedanib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09085	Tetracaine	BE0000739	RYR1	P21817	RYR1_HUMAN	modulator	21624373; 20961976	"Laver DR, van Helden DF: Three independent mechanisms contribute to tetracaine inhibition of cardiac calcium release channels. J Mol Cell Cardiol. 2011 Sep;51(3):357-69. doi: 10.1016/j.yjmcc.2011.05.009. Epub 2011 May 19.@@Lanner JT, Georgiou DK, Joshi AD, Hamilton SL: Ryanodine receptors: structure, expression, molecular details, and function in calcium release. Cold Spring Harb Perspect Biol. 2010 Nov;2(11):a003996. doi: 10.1101/cshperspect.a003996. Epub 2010 Oct 20."	Approved; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives"	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C					2958	310265012	D00551	PA451638			Tetracaine	CHEMBL698	10391
DB09085	Tetracaine	BE0005295	RYR2	Q92736	RYR2_HUMAN	modulator	21624373; 20961976	"Laver DR, van Helden DF: Three independent mechanisms contribute to tetracaine inhibition of cardiac calcium release channels. J Mol Cell Cardiol. 2011 Sep;51(3):357-69. doi: 10.1016/j.yjmcc.2011.05.009. Epub 2011 May 19.@@Lanner JT, Georgiou DK, Joshi AD, Hamilton SL: Ryanodine receptors: structure, expression, molecular details, and function in calcium release. Cold Spring Harb Perspect Biol. 2010 Nov;2(11):a003996. doi: 10.1101/cshperspect.a003996. Epub 2010 Oct 20."	Approved; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives"	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C					2958	310265012	D00551	PA451638			Tetracaine	CHEMBL698	10391
DB09085	Tetracaine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	blocker	22053156; 23888118	"Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011.@@Gammaitoni AR, Goitz HT, Marsh S, Marriott TB, Galer BS: Heated lidocaine/tetracaine patch for treatment of patellar tendinopathy pain. J Pain Res. 2013 Jul 19;6:565-70. doi: 10.2147/JPR.S46239. Print 2013."	Approved; Vet_approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, General; Esters of Aminobenzoic Acid; Dermatologicals; Benzene Derivatives; Dental Agents; Central Nervous System Depressants; Benzoates; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Aminobenzoates; Local Anesthesia; Anesthetics, Local; Acids, Carbocyclic; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Local Anesthetics (Ester); para-Aminobenzoates; Peripheral Nervous System Agents; Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Ophthalmologicals; Central Nervous System Agents; Nervous System; Sensory Organs; Vasoprotectives"	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C					2958	310265012	D00551	PA451638			Tetracaine	CHEMBL698	10391
DB09086	Eugenol	BE0000123	ESR1	P03372	ESR1_HUMAN		12495555	"Howes MJ, Houghton PJ, Barlow DJ, Pocock VJ, Milligan SR: Assessment of estrogenic activity in some common essential oil constituents. J Pharm Pharmacol. 2002 Nov;54(11):1521-8."	Approved	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	COC1=C(O)C=CC(CC=C)=C1					9699	310265013					Eugenol	CHEMBL42710	4186
DB09086	Eugenol	BE0000792	ESR2	Q92731	ESR2_HUMAN		12495555	"Howes MJ, Houghton PJ, Barlow DJ, Pocock VJ, Milligan SR: Assessment of estrogenic activity in some common essential oil constituents. J Pharm Pharmacol. 2002 Nov;54(11):1521-8."	Approved	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	COC1=C(O)C=CC(CC=C)=C1					9699	310265013					Eugenol	CHEMBL42710	4186
DB09086	Eugenol	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN		21593771	"Borbiro I, Lisztes E, Toth BI, Czifra G, Olah A, Szollosi AG, Szentandrassy N, Nanasi PP, Peter Z, Paus R, Kovacs L, Biro T: Activation of transient receptor potential vanilloid-3 inhibits human hair growth. J Invest Dermatol. 2011 Aug;131(8):1605-14. doi: 10.1038/jid.2011.122. Epub 2011  May 19."	Approved	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Hydrocarbons, Acyclic; Caffeic Acids; Anti-Infective Agents; Cell-mediated Immunity; Alkenes; Acids, Carbocyclic; Allyl Compounds; Allylbenzene Derivatives; Cinnamates; Benzene Derivatives; Standardized Chemical Allergen; Solvents; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	COC1=C(O)C=CC(CC=C)=C1					9699	310265013					Eugenol	CHEMBL42710	4186
DB09088	Amylocaine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	blocker	2157353; 22053156	"Butterworth JF 4th, Strichartz GR: Molecular mechanisms of local anesthesia: a review. Anesthesiology. 1990 Apr;72(4):711-34.@@Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Acids, Carbocyclic; Benzene Derivatives"	CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1					6734	310265015	D07454				Amylocaine	CHEMBL1740065	40660
DB09089	Trimebutine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	inhibitor	8220900; 26424038	"Nagasaki M, Komori S, Ohashi H: Effect of trimebutine on voltage-activated calcium current in rabbit ileal smooth muscle cells. Br J Pharmacol. 1993 Sep;110(1):399-403.@@Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061."	Approved	Gallic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents"	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1					1925	310265016					Trimebutine	CHEMBL190044	10819
DB09089	Trimebutine	BE0004906	KCNMA1	Q9UGI6	KCNN3_HUMAN	inhibitor	26424038; 21725804	"Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061.@@Lee HT, Kim BJ: Trimebutine as a modulator of gastrointestinal motility. Arch Pharm Res. 2011 Jun;34(6):861-4. doi: 10.1007/s12272-011-0600-7."	Approved	Gallic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents"	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1					1925	310265016					Trimebutine	CHEMBL190044	10819
DB09089	Trimebutine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	8822036	"Eglen RM, Watson N: Selective muscarinic receptor agonists and antagonists. Pharmacol Toxicol. 1996 Feb;78(2):59-68."	Approved	Gallic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents"	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1					1925	310265016					Trimebutine	CHEMBL190044	10819
DB09089	Trimebutine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	8822036	"Eglen RM, Watson N: Selective muscarinic receptor agonists and antagonists. Pharmacol Toxicol. 1996 Feb;78(2):59-68."	Approved	Gallic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents"	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1					1925	310265016					Trimebutine	CHEMBL190044	10819
DB09089	Trimebutine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	activator	26424038	"Radulovic M, Anand P, Korsten MA, Gong B: Targeting Ion Channels: An Important Therapeutic Implication in Gastrointestinal Dysmotility in Patients With Spinal Cord Injury. J Neurogastroenterol Motil. 2015 Oct 1;21(4):494-502. doi: 10.5056/jnm15061."	Approved	Gallic acid and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Hydroxybenzoate Ethers; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Hydroxybenzoates; Agents producing tachycardia; Benzene Derivatives; Autonomic Agents; Gastrointestinal Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Benzoates; Hydroxy Acids; Calcium Channel Blockers; Phenols; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Potential QTc-Prolonging Agents; Anticholinergic Agents; Acids, Carbocyclic; Prokinetic Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Phenyl Ethers; Antiarrhythmic agents; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Bradycardia-Causing Agents"	CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1					1925	310265016					Trimebutine	CHEMBL190044	10819
DB09091	Tixocortol	BE0000794	NR3C1	P04150	GCR_HUMAN	binder	16604091	Barnes PJ: How corticosteroids control inflammation: Quintiles Prize Lecture 2005. Br J Pharmacol. 2006 Jun;148(3):245-54. doi: 10.1038/sj.bjp.0706736.	Approved; Withdrawn	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Pregnenes; 17-Hydroxycorticosteroids; Increased Histamine Release; Cell-mediated Immunity; Corticosteroids Acting Locally; Hydroxycorticosteroids; Drugs that are Mainly Renally Excreted; Steroids; 11-Hydroxycorticosteroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Standardized Chemical Allergen; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7505	310265018					Tixocortol		57257
DB09091	Tixocortol	BE0002366	HDAC2	Q92769	HDAC2_HUMAN	stimulator	16604091	Barnes PJ: How corticosteroids control inflammation: Quintiles Prize Lecture 2005. Br J Pharmacol. 2006 Jun;148(3):245-54. doi: 10.1038/sj.bjp.0706736.	Approved; Withdrawn	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Pregnenes; 17-Hydroxycorticosteroids; Increased Histamine Release; Cell-mediated Immunity; Corticosteroids Acting Locally; Hydroxycorticosteroids; Drugs that are Mainly Renally Excreted; Steroids; 11-Hydroxycorticosteroids; Nasal Preparations; Alimentary Tract and Metabolism; Hormones; Fused-Ring Compounds; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Adrenal Cortex Hormones; Standardized Chemical Allergen; Intestinal Antiinflammatory Agents; Immunosuppressive Agents; Corticosteroids; Pregnenediones; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7505	310265018					Tixocortol		57257
DB09092	Xanthinol	BE0000008	NNT	Q13423	NNTM_HUMAN	cofactor	3936095	"Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5."	Approved; Withdrawn	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines"	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C					5957	310265019					Xanthinol	CHEMBL1624126	89795
DB09092	Xanthinol	BE0000162	OGDH	Q02218	ODO1_HUMAN	cofactor	3936095	"Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5."	Approved; Withdrawn	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines"	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C					5957	310265019					Xanthinol	CHEMBL1624126	89795
DB09092	Xanthinol	BE0000780	MDH2	P40926	MDHM_HUMAN	cofactor	3936095	"Loriaux SM, Deijen JB, Orlebeke JF, De Swart JH: The effects of nicotinic acid and xanthinol nicotinate on human memory in different categories of age. A double blind study. Psychopharmacology (Berl). 1985;87(4):390-5."	Approved; Withdrawn	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines"	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C					5957	310265019					Xanthinol	CHEMBL1624126	89795
DB09093	Chlortetracycline	BE0009441	EPHB1	P54762	EPHB1_HUMAN	inhibitor	33627480	"Ahmed MS, Wang P, Nguyen NUN, Nakada Y, Menendez-Montes I, Ismail M, Bachoo R, Henkemeyer M, Sadek HA, Kandil ES: Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc Natl Acad Sci U S A. 2021 Mar 9;118(10). pii: 2016265118. doi: 10.1073/pnas.2016265118."	Approved; Investigational; Vet_approved	Tetracyclines	Organic compounds; Phenylpropanoids and polyketides; Tetracyclines	Agents that produce neuromuscular block (indirect); Enzyme Inhibitors; Naphthacenes; Anti-Bacterial Agents; Dermatologicals; Antiinfectives for Systemic Use; Antiinfectives and Antiseptics for Local Oral Treatment; Protein Synthesis Inhibitors; Antiprotozoals; Stomatological Preparations; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiparasitic Agents; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Tetracyclines; Sensory Organs	[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O					8668	310265020	D07689				Chlortetracycline	CHEMBL404520	2408
DB09093	Chlortetracycline	BE0001092	PADI4	Q9UM07	PADI4_HUMAN	inhibitor	17964793	"Knuckley B, Luo Y, Thompson PR: Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem. 2008 Jan 15;16(2):739-45. Epub 2007 Oct 13."	Approved; Investigational; Vet_approved	Tetracyclines	Organic compounds; Phenylpropanoids and polyketides; Tetracyclines	Agents that produce neuromuscular block (indirect); Enzyme Inhibitors; Naphthacenes; Anti-Bacterial Agents; Dermatologicals; Antiinfectives for Systemic Use; Antiinfectives and Antiseptics for Local Oral Treatment; Protein Synthesis Inhibitors; Antiprotozoals; Stomatological Preparations; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiparasitic Agents; Anti-Infective Agents; Ophthalmologicals; Antibiotics for Topical Use; Tetracyclines; Sensory Organs	[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O					8668	310265020	D07689				Chlortetracycline	CHEMBL404520	2408
DB09095	Difluocortolone	BE0003201	ANXA3	P12429	ANXA3_HUMAN	inducer	23213332	"Uva L, Miguel D, Pinheiro C, Antunes J, Cruz D, Ferreira J, Filipe P: Mechanisms of action of topical corticosteroids in psoriasis. Int J Endocrinol. 2012;2012:561018. doi: 10.1155/2012/561018. Epub 2012 Nov 5."	Approved; Investigational; Withdrawn	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					7507	310265022					Diflucortolone	CHEMBL509924	3392
DB09095	Difluocortolone	BE0000794	NR3C1	P04150	GCR_HUMAN	binder	23213332	"Uva L, Miguel D, Pinheiro C, Antunes J, Cruz D, Ferreira J, Filipe P: Mechanisms of action of topical corticosteroids in psoriasis. Int J Endocrinol. 2012;2012:561018. doi: 10.1155/2012/561018. Epub 2012 Nov 5."	Approved; Investigational; Withdrawn	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Pregnadienediols; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C					7507	310265022					Diflucortolone	CHEMBL509924	3392
DB09096	Benzoyl peroxide	BE0009997	GPX5	Q8TED1	GPX8_HUMAN	inhibitor	10753220	"Zhao J, Lahiri-Chatterjee M, Sharma Y, Agarwal R: Inhibitory effect of a flavonoid antioxidant silymarin on benzoyl peroxide-induced tumor promotion, oxidative stress and inflammatory responses in SENCAR mouse skin. Carcinogenesis. 2000 Apr;21(4):811-6. doi: 10.1093/carcin/21.4.811."	Approved	Benzoyl peroxides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents"	O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1					6850	310265023	D03093				Benzoyl_peroxide	CHEMBL1200370	1418
DB09096	Benzoyl peroxide	BE0010057	SOD3	P04179	SODM_HUMAN	inhibitor	10753220	"Zhao J, Lahiri-Chatterjee M, Sharma Y, Agarwal R: Inhibitory effect of a flavonoid antioxidant silymarin on benzoyl peroxide-induced tumor promotion, oxidative stress and inflammatory responses in SENCAR mouse skin. Carcinogenesis. 2000 Apr;21(4):811-6. doi: 10.1093/carcin/21.4.811."	Approved	Benzoyl peroxides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl peroxides	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Peroxides; Benzoates; Acids, Carbocyclic; Dermatologicals; Benzene Derivatives; Keratolytic Agents"	O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1					6850	310265023	D03093				Benzoyl_peroxide	CHEMBL1200370	1418
DB09097	Quinagolide	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist			Approved; Investigational	Benzoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines	"Dopamine D2 Receptor Agonists; Heterocyclic Compounds, Fused-Ring; Miscellaneous Therapeutic Agents; Neurotransmitter Agents; Prolactine Inhibitors; Genito Urinary System and Sex Hormones; Quinolines; Dopamine Agents; Dopamine Agonists"	[H][C@]12C[C@@H](CN(CCC)[C@]1([H])CC1=CC=CC(O)=C1C2)NS(=O)(=O)N(CC)CC					13315	310265024					Quinagolide	CHEMBL290962	76887
DB09098	Somatrem	BE0000075	GHR	P10912	GHR_HUMAN	agonist			Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7359	347910403	D05884				Somatrem		56570
DB09098	Somatrem	BE0000858	IGF1R	P08069	IGF1R_HUMAN				Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						7359	347910403	D05884				Somatrem		56570
DB09099	Somatostatin	BE0003528	SSTR2	P30874	SSR2_HUMAN	agonist	25956467	"Rai U, Thrimawithana TR, Valery C, Young SA: Therapeutic uses of somatostatin and its analogues: Current view and potential applications. Pharmacol Ther. 2015 Aug;152:98-110. doi: 10.1016/j.pharmthera.2015.05.007. Epub  2015 May 5."	Approved; Investigational			"Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Enzyme Inhibitors; Nerve Tissue Proteins; Cytochrome P-450 CYP3A Inhibitors; Proteins; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Somatostatin, agonists; Neuropeptides; Peptides; Pancreatic Hormones; Pituitary Hormone Release Inhibiting Hormones; Peptide Hormones; Hypothalamic Hormones; Somatostatin and Analogues; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O					11700	310265025	D07431				Somatostatin	CHEMBL1823872	9939
DB09100	"Thyroid, porcine"	BE0000315	THRB	P10828	THB_HUMAN	substrate	25135573	"Ortiga-Carvalho TM, Sidhaye AR, Wondisford FE: Thyroid hormone receptors and resistance to thyroid hormone disorders. Nat Rev Endocrinol. 2014 Oct;10(10):582-91. doi: 10.1038/nrendo.2014.143. Epub 2014 Aug 19."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Thyroid Products; Agents used to treat hypothyroidism						6617	347910404							235479
DB09103	Ancestim	BE0000453	KIT	P10721	KIT_HUMAN	agonist	15526160	Ronnstrand L: Signal transduction via the stem cell factor receptor/c-Kit. Cell Mol Life Sci. 2004 Oct;61(19-20):2535-48. doi: 10.1007/s00018-004-4189-6.	Approved; Investigational; Withdrawn	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antineoplastic and Immunomodulating Agents; Biological Factors; Colony-Stimulating Factors; Intercellular Signaling Peptides and Proteins; Peptides; Adjuvants, Immunologic; Proteins; Cytokines; Drugs that are Mainly Renally Excreted; Hematopoietic Cell Growth Factors; Amino Acids, Peptides, and Proteins"						11881	347910405					Ancestim		140502
DB09108	Simoctocog alfa	BE0001043	VWF	P04275	VWF_HUMAN	binding			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Carbohydrates; Proteins; Glycoconjugates; Amino Acids, Peptides, and Proteins"						22528	347910409					Factor_VIII_(medication)		1729084
DB09109	Turoctocog alfa	BE0000364	F9	P00740	FA9_HUMAN	activator	24797664; 26761578	"Ezban M, Vad K, Kjalke M: Turoctocog alfa (NovoEight(R))--from design to clinical proof of concept. Eur J Haematol. 2014 Nov;93(5):369-76. doi: 10.1111/ejh.12366. Epub 2014 May 28.@@Ahmadian H, Hansen EB, Faber JH, Sejergaard L, Karlsson J, Bolt G, Hansen JJ, Thim L: Molecular design and downstream processing of turoctocog alfa (NovoEight), a B-domain truncated factor VIII molecule. Blood Coagul Fibrinolysis. 2016 Jul;27(5):568-75. doi: 10.1097/MBC.0000000000000477."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						22548	347910410					Turoctocog_alfa		1737557
DB09112	Nitrous acid	BE0004467	MB	P02144	MYG_HUMAN	oxidizer	1569239	"Baskin SI, Horowitz AM, Nealley EW: The antidotal action of sodium nitrite and sodium thiosulfate against cyanide poisoning. J Clin Pharmacol. 1992 Apr;32(4):368-75."	Approved; Investigational			"Nitrogen Compounds; Acids; Food Ingredients; Electrolytes; Hypotensive Agents; Indicators and Reagents; Sodium Compounds; Nitrites; Anions; Antidotes; Ions; Diet, Food, and Nutrition; Food; Laboratory Chemicals; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Food Preservatives; Food Additives; Acids, Noncarboxylic"	ON=O					9134	310265030		PA166115361			Nitrous_acid	CHEMBL1161681	
DB09118	Stiripentol	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	agonist	18585399	Fisher JL: The anti-convulsant stiripentol acts directly on the GABA(A) receptor as a positive allosteric modulator. Neuropharmacology. 2009 Jan;56(1):190-7. doi: 10.1016/j.neuropharm.2008.06.004. Epub 2008 Jun 10.	Approved	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dioxoles; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1					21532	310265035					Stiripentol	CHEMBL1983350	2054968
DB09118	Stiripentol	BE0000068	LDHB	P07195	LDHB_HUMAN	inhibitor	25792327	"Sada N, Lee S, Katsu T, Otsuki T, Inoue T: Epilepsy treatment. Targeting LDH enzymes with a stiripentol analog to treat epilepsy. Science. 2015 Mar 20;347(6228):1362-7. doi: 10.1126/science.aaa1299."	Approved	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Miscellaneous Anticonvulsants; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inhibitors (strong); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dioxoles; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Cytochrome P-450 CYP1A2 Substrates; Anticonvulsants; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1					21532	310265035					Stiripentol	CHEMBL1983350	2054968
DB09120	Zucapsaicin	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	26053297; 26884754	"Yang F, Xiao X, Cheng W, Yang W, Yu P, Song Z, Yarov-Yarovoy V, Zheng J: Structural mechanism underlying capsaicin binding and activation of the TRPV1 ion channel. Nat Chem Biol. 2015 Jul;11(7):518-24. doi: 10.1038/nchembio.1835. Epub 2015 Jun 8.@@Smutzer G, Devassy RK: Integrating TRPV1 Receptor Function with Capsaicin Psychophysics. Adv Pharmacol Sci. 2016;2016:1512457. doi: 10.1155/2016/1512457. Epub 2016 Jan 14."	Approved; Investigational	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Fatty Acids, Monounsaturated; Capsaicin and Similar Agents; Polyunsaturated Alkamides; Topical Products for Joint and Muscular Pain; Amides; Other Nonsteroidal Anti-inflammatory Agents; Benzene Derivatives; Hydrocarbons, Acyclic; Alkenes; Cytochrome P-450 Enzyme Inhibitors; Phenols; Alkaloids; Solanaceous Alkaloids; Cytochrome P-450 CYP1A2 Inhibitors; Fatty Acids; Cytochrome P-450 CYP2C9 Inhibitors; Musculo-Skeletal System; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2E1 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (weak); Alkynes; Lipids; Analgesics; Cytochrome P-450 CYP2E1 Inhibitors; Catechols; Cytochrome P-450 CYP2C19 Inhibitors (moderate); Cytochrome P-450 CYP2C19 Inhibitors; Fatty Acids, Unsaturated"	COC1=C(O)C=CC(CNC(=O)CCCC\C=C/C(C)C)=C1					20612	310265037					Zucapsaicin	CHEMBL313971	
DB09121	Aurothioglucose	BE0000269	ADCY1	Q08828	ADCY1_HUMAN				Approved; Withdrawn	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O					1247	310265038	D00991				Aurothioglucose		4980
DB09121	Aurothioglucose	BE0003732	ADCY2	Q08462	ADCY2_HUMAN				Approved; Withdrawn	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O					1247	310265038	D00991				Aurothioglucose		4980
DB09121	Aurothioglucose	BE0003733	ADCY5	O95622	ADCY5_HUMAN				Approved; Withdrawn	Hexoses	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Organogold Compounds; Organometallic Compounds; Musculo-Skeletal System; Gold Preparations; Specific Antirheumatic Agents; Antiinflammatory and Antirheumatic Products; Drugs that are Mainly Renally Excreted; Antirheumatic Agents	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O					1247	310265038	D00991				Aurothioglucose		4980
DB09122	Peginterferon beta-1a	BE0000661	IFNAR1	P17181	INAR1_HUMAN	activator	25265472; 2441659; 27348209; 25187030; 3068316	"Hu X, Cui Y, White J, Zhu Y, Deykin A, Nestorov I, Hung S: Pharmacokinetics and pharmacodynamics of peginterferon beta-1a in patients with relapsing-remitting multiple sclerosis in the randomized ADVANCE study. Br J Clin Pharmacol. 2015 Mar;79(3):514-22. doi: 10.1111/bcp.12521.@@Pestka S, Langer JA, Zoon KC, Samuel CE: Interferons and their actions. Annu Rev Biochem. 1987;56:727-77. doi: 10.1146/annurev.bi.56.070187.003455.@@Mastrangeli R, Iozzino L, Lanzoni L, Angiuoni G, Ferrao C, Izzo A, Fiumi S, Camerini F, Mascia M, Palinsky W, Bierau H: Biological Functions of Interferon beta-1a Are Enhanced By Deamidation. J Interferon Cytokine Res. 2016 Sep;36(9):534-41. doi: 10.1089/jir.2016.0025. Epub 2016 Jun 27.@@Hu X, Seddighzadeh A, Stecher S, Zhu Y, Goyal J, Matson M, Marbury T, Smith W, Nestorov I, Hung S: Pharmacokinetics, pharmacodynamics, and safety of peginterferon beta-1a in subjects with normal or impaired renal function. J Clin Pharmacol. 2015 Feb;55(2):179-88. doi: 10.1002/jcph.390. Epub 2014 Sep 23.@@Liberati AM, Fizzotti M, Proietti MG, Di Marzio R, Schippa M, Biscottini B, Senatore M, Berruto P, Canali S, Peretti G, et al.: Biochemical host response to interferon-beta. J Interferon Res. 1988 Dec;8(6):765-77. doi: 10.1089/jir.1988.8.765."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunosuppressive Agents; Myelosuppressive Agents; Antineoplastic and Immunomodulating Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Polymers; Peptides; Adjuvants, Immunologic; Interferon Type I; Proteins; Macromolecular Substances; Interferon-beta; Interferons; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"						22631	347910413	D10483				Peginterferon_beta-1a		1546168
DB09123	Dienogest	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	18061638	"Sasagawa S, Shimizu Y, Kami H, Takeuchi T, Mita S, Imada K, Kato S, Mizuguchi K: Dienogest is a selective progesterone receptor agonist in transactivation analysis with potent oral endometrial activity due to its efficient pharmacokinetic profile. Steroids. 2008 Feb;73(2):222-31. Epub 2007 Oct 22."	Approved	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Hormone Antagonists; Progestins; Estrenes; Contraceptive Agents, Male; Cytochrome P-450 Substrates; Estranes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Steroids; Antineoplastic Agents; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Gonadal Steroid Hormones; Pregnadien Derivatives; Antineoplastic Agents, Hormonal; Combination Contraceptives (with Estrogen and derivatives); Contraceptive Agents, Female; Testosterone Congeners; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H]					21018	310265039					Dienogest	CHEMBL1201864	22968
DB09124	Medrogestone	BE0000557	PGR	P06401	PRGR_HUMAN	ligand			Approved; Withdrawn	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Pregnadien Derivatives; Cytochrome P-450 CYP3A Substrates; Progestogens and Estrogens, Sequential Preparations; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; Steroids; Progestins; Pregnanes"	[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C					7536	310265040					Medrogestone	CHEMBL2106825	6690
DB09126	Chorionic Gonadotropin (Human)	BE0000134	LHCGR	P22888	LSHR_HUMAN	ligand			Approved; Vet_approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Fertility Agents, Female; Pregnancy Proteins; Amino Acids, Peptides, and Proteins; Gonadotropins, Pituitary; Chorionic Gonadotropin; Gonadotropins; Proteins; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Fertility Agents; Hormones; Complex Mixtures; Peptides; Gonadotropins and Antigonadotropins; Placental Hormones; Biological Products; Peptide Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"						7358	347910414	D06457				Human_chorionic_gonadotropin	CHEMBL1201509	340705
DB09128	Brexpiprazole	BE0000756	DRD2	P14416	DRD2_HUMAN	partial agonist	24947465; 26310190	"Maeda K, Sugino H, Akazawa H, Amada N, Shimada J, Futamura T, Yamashita H, Ito N, McQuade RD, Mork A, Pehrson AL, Hentzer M, Nielsen V, Bundgaard C, Arnt J, Stensbol TB, Kikuchi T: Brexpiprazole I: in vitro and in vivo characterization of a novel serotonin-dopamine activity modulator. J Pharmacol Exp Ther. 2014 Sep;350(3):589-604. doi: 10.1124/jpet.114.213793. Epub 2014 Jun 19.@@Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09128	Brexpiprazole	BE0000581	DRD3	P35462	DRD3_HUMAN	partial agonist			Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09128	Brexpiprazole	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	26310190	Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2.	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09128	Brexpiprazole	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	26310190	Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2.	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09128	Brexpiprazole	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	25225185; 26310190	"Oosterhof CA, El Mansari M, Blier P: Acute effects of brexpiprazole on serotonin, dopamine, and norepinephrine systems: an in vivo electrophysiologic characterization. J Pharmacol Exp Ther. 2014 Dec;351(3):585-95. doi: 10.1124/jpet.114.218578. Epub  2014 Sep 15.@@Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09128	Brexpiprazole	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	26913177; 29955525; 26310190	"Das S, Barnwal P, Winston A B, Mondal S, Saha I: Brexpiprazole: so far so good. Ther Adv Psychopharmacol. 2016 Feb;6(1):39-54. doi: 10.1177/2045125315614739.@@Diefenderfer LA, Iuppa C: Brexpiprazole: A review of a new treatment option for schizophrenia and major depressive disorder. Ment Health Clin. 2018 Mar 23;7(5):207-212. doi: 10.9740/mhc.2017.09.207. eCollection 2017 Sep.@@Greig SL: Brexpiprazole: First Global Approval. Drugs. 2015 Sep;75(14):1687-97. doi: 10.1007/s40265-015-0462-2."	Approved; Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Serotonin Receptor Agonists; Adrenergic alpha-Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psycholeptics; Dopamine D2 Receptor Agonists; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Antidepressive Agents Indicated for Depression; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Dopamine Agonists; Neurotoxic agents; Serotonin Agents; MATE 2 Inhibitors; Neurotransmitter Agents; Nervous System; Sulfur Compounds; Quinolines; Dopamine Agents"	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1					22853	310265043	D10309	PA166160053			Brexpiprazole	CHEMBL2105760	1658314
DB09129	Chromic chloride	BE0000033	INSR	P06213	INSR_HUMAN	activator			Approved	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Minerals; Antioxidants; Anions; Biological Factors; Ions; Replacement Preparations; Protective Agents; Chlorine Compounds; Drugs that are Mainly Renally Excreted; Electrolytes; Compounds used in a research, industrial, or household setting"	[Cl-].[Cl-].[Cl-].[Cr+3]					2021	310265044					Chromium(III)_chloride		21009
DB09130	Copper	BE0003392	APP	P05067	A4_HUMAN	binder	14652164; 11467850; 11784781; 7913895	"Tapiero H, Townsend DM, Tew KD: Trace elements in human physiology and pathology. Copper. Biomed Pharmacother. 2003 Nov;57(9):386-98.@@Suzuki K, Miura T, Takeuchi H: Inhibitory effect of copper(II) on zinc(II)-induced aggregation of amyloid beta-peptide. Biochem Biophys Res Commun. 2001 Jul 27;285(4):991-6.@@White AR, Multhaup G, Galatis D, McKinstry WJ, Parker MW, Pipkorn R, Beyreuther K, Masters CL, Cappai R: Contrasting, species-dependent modulation of copper-mediated neurotoxicity by the Alzheimer's disease amyloid precursor protein. J Neurosci. 2002 Jan 15;22(2):365-76.@@Hesse L, Beher D, Masters CL, Multhaup G: The beta A4 amyloid precursor protein binding to copper. FEBS Lett. 1994 Jul 25;349(1):109-16."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005156	HIST1H2BC	P62807	H2B1C_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005844	PRDX1	Q06830	PRDX1_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005013	ACTG1	P63261	ACTG_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005807	ENO1	P06733	ENOA_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0002105	KRT8	P05787	K2C8_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0002467	P4HB	P07237	PDIA1_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008956	HSPD1	P10809	CH60_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008957	HSPA13	P48723	HSP13_HUMAN		14534351; 15359738	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7.@@Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008959	RPS2	P15880	RS2_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009139	SRSF1	Q07955	SRSF1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008960	HNRNPA2B1	P22626	ROA2_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008962	HNRNPH3	P31942	HNRH3_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008966	SF3A2	Q15428	SF3A2_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008967	RACK1	P63244	RACK1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008968	ACTN1	P12814	ACTN1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008969	ANXA4	P09525	ANXA4_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0004352	AKR1A1	P14550	AK1A1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000648	GSR	P00390	GSHR_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0001120	HSP90AA1	P07900	HS90A_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0002480	PTGES3	Q15185	TEBP_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008970	STIP1	P31948	STIP1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008973	EIF4A1	P60842	IF4A1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0001199	GPI	P06744	G6PI_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000143	TUBB	P07437	TBB5_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0004174	CFL1	P23528	COF1_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008974	YWHAB	P31946	1433B_HUMAN		15359738	"Smith SD, She YM, Roberts EA, Sarkar B: Using immobilized metal affinity chromatography, two-dimensional electrophoresis and mass spectrometry to identify hepatocellular proteins with copper-binding ability. J Proteome Res. 2004 Jul-Aug;3(4):834-40."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000433	GLRA1	P23415	GLRA1_HUMAN		16842826	"Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008995	HTT	P42858	HD_HUMAN		17396163	"Fox JH, Kama JA, Lieberman G, Chopra R, Dorsey K, Chopra V, Volitakis I, Cherny RA, Bush AI, Hersch S: Mechanisms of copper ion mediated Huntington's disease progression. PLoS One. 2007 Mar 28;2(3):e334."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005816	HEPHL1	Q6MZM0	HPHL1_HUMAN	cofactor	15778082	"Petrak J, Vyoral D: Hephaestin--a ferroxidase of cellular iron export. Int J Biochem Cell Biol. 2005 Jun;37(6):1173-8. Epub 2005 Jan 26."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000878	SNCA	P37840	SYUA_HUMAN		22355530	"Rose F, Hodak M, Bernholc J: Mechanism of copper(II)-induced misfolding of Parkinson's disease protein. Sci Rep. 2011;1:11. doi: 10.1038/srep00011. Epub 2011 Jun 14."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0003394	BDNF	P23560	BDNF_HUMAN	cofactor	23135810	"Travaglia A, La Mendola D, Magri A, Nicoletti VG, Pietropaolo A, Rizzarelli E: Copper, BDNF and Its N-terminal domain: inorganic features and biological perspectives. Chemistry. 2012 Dec 3;18(49):15618-31. doi: 10.1002/chem.201202775. Epub 2012 Nov 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009046	TAC3	Q9UHF0	TKNK_HUMAN		23875773	"Russino D, McDonald E, Hejazi L, Hanson GR, Jones CE: The tachykinin peptide neurokinin B binds copper forming an unusual [CuII(NKB)2] complex and inhibits copper uptake into 1321N1 astrocytoma cells. ACS Chem Neurosci. 2013 Oct 16;4(10):1371-81. doi: 10.1021/cn4000988. Epub 2013 Aug 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009047	A1BG	P04217	A1BG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0008979	AFM	P43652	AFAM_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0005852	APOBR	Q0VD83	APOBR_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0003455	C3	P01024	CO3_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000855	C5	P01031	CO5_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009052	C9	P02748	CO9_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009053	CFH	P08603	CFAH_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009054	CFI	P05156	CFAI_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0002104	CLEC3B	P05452	TETN_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0004161	GSN	P06396	GELS_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009056	CBX5	P45973	CBX5_HUMAN		1268189	"Bryan SE, Simons SJ, Vizard DL, Hardy KJ: Interactions of mercury and copper with constitutive heterochromatin and euchromatin in vivo and in vitro. Biochemistry. 1976 Apr 20;15(8):1667-76."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009060	ITIH2	P19823	ITIH2_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009062	KRT10	P13645	K1C10_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0009064	KRT9	P35527	K1C9_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000211	PLG	P00747	PLMN_HUMAN		8364203	"Lind SE, McDonagh JR, Smith CJ: Oxidative inactivation of plasmin and other serine proteases by copper and ascorbate. Blood. 1993 Sep 1;82(5):1522-31."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000209	SERPINA6	P08185	CBG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0002458	SERPING1	P05155	IC1_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09130	Copper	BE0000337	TTR	P02766	TTHY_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09142	Sincalide	BE0001158	CCKBR	P32239	GASR_HUMAN	agonist			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Diagnostic Agents; OATP1B3 substrates; Cholecystokinin Analog; Peptides; Hormones, Hormone Substitutes, and Hormone Antagonists; Tests for Bile Duct Patency; Amino Acids, Peptides, and Proteins; Hormones; Gallbladder Function"						2111	310265055	D05845				Sincalide	CHEMBL1121	9800
DB09143	Sonidegib	BE0004659	SMO	Q99835	SMO_HUMAN	antagonist	26323341	Burness CB: Sonidegib: First Global Approval. Drugs. 2015 Sep;75(13):1559-66. doi: 10.1007/s40265-015-0458-y.	Approved; Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Hedgehog pathway inhibitors; Narrow Therapeutic Index Drugs; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Antineoplastic Agents	[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1					23471	310265056	D10119				Sonidegib	CHEMBL2105737	1659191
DB09148	Florbetaben F-18	BE0003392	APP	P05067	A4_HUMAN	binder			Approved	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	Diagnostic Radiopharmaceuticals; Amines; Fluorine Radioisotopes; Benzylidene Compounds; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Positron Emitting Activity; Central Nervous System; Radioactive Diagnostic Agent	CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1						310265061	D10002				Florbetaben_(18F)	CHEMBL566752	1492940
DB09149	Florbetapir (18F)	BE0003392	APP	P05067	A4_HUMAN	binder	19837759	"Choi SR, Golding G, Zhuang Z, Zhang W, Lim N, Hefti F, Benedum TE, Kilbourn MR, Skovronsky D, Kung HF: Preclinical properties of 18F-AV-45: a PET agent for Abeta plaques in the brain. J Nucl Med. 2009 Nov;50(11):1887-94. doi: 10.2967/jnumed.109.065284. Epub 2009 Oct 16."	Approved; Investigational	Styrenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes	Diagnostic Radiopharmaceuticals; Amines; Glycols; Fluorine Radioisotopes; Alcohols; Drugs that are Mainly Renally Excreted; Positron Emitting Activity; Central Nervous System; Radioactive Diagnostic Agent	[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H]						310265062	D09617				Florbetapir_(18F)	CHEMBL1774461	1427224
DB09151	Flutemetamol (18F)	BE0003392	APP	P05067	A4_HUMAN	binder	27031469	"Beach TG, Thal DR, Zanette M, Smith A, Buckley C: Detection of Striatal Amyloid Plaques with [18F]flutemetamol: Validation with Postmortem Histopathology. J Alzheimers Dis. 2016 Mar 31;52(3):863-73. doi: 10.3233/JAD-150732."	Approved; Investigational	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Indicators and Reagents; Diagnostic Uses of Chemicals; Diagnostic Radiopharmaceuticals; Radiopharmaceutical Activity; Contrast Media; Heterocyclic Compounds, Fused-Ring; Amines; Thiazoles; Radiopharmaceuticals; Radioactive Diagnostic Agent; Sulfur Compounds; Laboratory Chemicals; Central Nervous System; Compounds used in a research, industrial, or household setting"	CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1						310265064	D10231				Flutemetamol_(18F)	CHEMBL2042122	1486025
DB09166	Etizolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System"	CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl						310265075	D01514				Etizolam	CHEMBL1289779	
DB09166	Etizolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System"	CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl						310265075	D01514				Etizolam	CHEMBL1289779	
DB09166	Etizolam	BE0005561	PTAFR	P25105	PTAFR_HUMAN	antagonist	2890779	"Mikashima H, Takehara S, Muramoto Y, Khomaru T, Terasawa M, Tahara T, Maruyama Y: An antagonistic activity of etizolam on platelet-activating factor (PAF). In vitro effects on platelet aggregation and PAF receptor binding. Jpn J Pharmacol. 1987 Aug;44(4):387-91."	Experimental	Thienodiazepines	Organic compounds; Organoheterocyclic compounds; Thienodiazepines	"Cytochrome P-450 CYP3A Substrates; Muscle Relaxants, Centrally Acting Agents; Hypnotics and Sedatives; Benzodiazepinones; Central Nervous System Depressants; Cytochrome P-450 Substrates; Muscle Relaxants; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Nervous System"	CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl						310265075	D01514				Etizolam	CHEMBL1289779	
DB09167	Dosulepin	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17471183	Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09167	Dosulepin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17471183	Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09167	Dosulepin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17471183	Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09167	Dosulepin	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	17471183	Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09167	Dosulepin	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	17471183; 18293180	"Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.@@Wille SM, Cooreman SG, Neels HM, Lambert WE: Relevant issues in the monitoring and the toxicology of antidepressants. Crit Rev Clin Lab Sci. 2008;45(1):25-89. doi: 10.1080/10408360701713112 ."	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09167	Dosulepin	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	inhibitor	17471183; 18293180	"Gillman PK: Tricyclic antidepressant pharmacology and therapeutic drug interactions updated. Br J Pharmacol. 2007 Jul;151(6):737-48. Epub 2007 Apr 30.@@Wille SM, Cooreman SG, Neels HM, Lambert WE: Relevant issues in the monitoring and the toxicology of antidepressants. Crit Rev Clin Lab Sci. 2008;45(1):25-89. doi: 10.1080/10408360701713112 ."	Approved	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Cytochrome P-450 CYP2D6 Inhibitors; Serotonin 5-HT2A Receptor Antagonists; Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Dibenzothiepins; QTc Prolonging Agents; Serotonin 5-HT2 Receptor Antagonists; Non-Selective Monoamine Reuptake Inhibitors; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Cytochrome P-450 CYP2D6 Inhibitors (weak); Serotonin 5-HT1 Receptor Antagonists; Histamine H1 Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Agents producing tachycardia; Neurotransmitter Uptake Inhibitors; Serotonin Receptor Antagonists; Antidepressive Agents; Serotonin 5-HT1A Receptor Antagonists; Thiepins; Cytochrome P-450 CYP2B6 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Histamine Antagonists; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Serotonin Modulators; Potential QTc-Prolonging Agents; Anticholinergic Agents; Antidepressive Agents, Tricyclic; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Agents that reduce seizure threshold; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tertiary amine tricyclic antidepressants; Agents that produce hypertension; Neurotoxic agents; Muscarinic Antagonists; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Neurotransmitter Agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs; Adrenergic Agents"	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12						310265076	D07872				Dosulepin	CHEMBL1492500	3634
DB09173	Butyrfentanyl	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	28807672	"Baumann MH, Majumdar S, Le Rouzic V, Hunkele A, Uprety R, Huang XP, Xu J, Roth BL, Pan YX, Pasternak GW: Pharmacological characterization of novel synthetic opioids (NSO) found in the recreational drug marketplace. Neuropharmacology. 2018 May 15;134(Pt A):101-107. doi: 10.1016/j.neuropharm.2017.08.016. Epub 2017 Aug 12."	Illicit	Fentanyls	Organic compounds; Organoheterocyclic compounds; Piperidines; Fentanyls	Piperidines; Cytochrome P-450 CYP2D6 Substrates; Street Drugs; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Illicit Drugs; Cytochrome P-450 CYP3A4 Substrates	CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1						310265082					Butyrfentanyl		
DB09185	Viloxazine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	27230580; 32943948	"Zheng G, Xue W, Wang P, Yang F, Li B, Li X, Li Y, Yao X, Zhu F: Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study. Sci Rep. 2016 May 27;6:26883. doi: 10.1038/srep26883.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	32943948	"Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	34003459	"Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	34003459; 32943948	"Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	34003459; 32943948	"Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	34003459; 32943948	"Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	34003459; 32943948	"Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18.@@Yu C, Garcia-Olivares J, Candler S, Schwabe S, Maletic V: New Insights into the Mechanism of Action of Viloxazine: Serotonin and Norepinephrine Modulating Properties. J Exp Pharmacol. 2020 Aug 25;12:285-300. doi: 10.2147/JEP.S256586. eCollection 2020."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09185	Viloxazine	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	2425816; 34003459	"Martinez C, Dominiak P, Kees F, Grobecker H: Inhibition of monoamine oxidase by viloxazine in rats. Arzneimittelforschung. 1986 May;36(5):800-3.@@Findling RL, Candler SA, Nasser AF, Schwabe S, Yu C, Garcia-Olivares J, O'Neal W, Newcorn JH: Viloxazine in the Management of CNS Disorders: A Historical Overview and Current Status. CNS Drugs. 2021 Jun;35(6):643-653. doi: 10.1007/s40263-021-00825-w. Epub 2021 May 18."	Approved; Investigational; Withdrawn	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Adrenergic alpha-1 Receptor Antagonists; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Monoamine Oxidase B Inhibitors; Neurotransmitter Uptake Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Monoamine Oxidase A Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Histamine H2 Antagonists; Cytochrome P-450 CYP1A2 Inhibitors (strong); Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 Substrates; Histamine Antagonists; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Psychoanaleptics; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Histamine H3 Antagonists; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Anticholinergic Agents; Cytochrome P-450 CYP2D6 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Morpholines; Norepinephrine Uptake Inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Norepinephrine Reuptake Inhibitor; Muscarinic Antagonists; Monoamine Oxidase Inhibitors; Psychotropic Drugs; Central Nervous System Agents; Adrenergic beta-Antagonists; UGT1A9 Substrates; Neurotransmitter Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Adrenergic Agents; Antidepressive Agents, Second-Generation; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CCOC1=CC=CC=C1OCC1CNCCO1						310265093	D08673				Viloxazine	CHEMBL306700	11196
DB09186	Nisoxetine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN		16871320	Zhou J: Norepinephrine transporter inhibitors and their therapeutic potential. Drugs Future. 2004 Dec;29(12):1235-1244.	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Amines; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Propylamines; Antidepressive Agents; Norepinephrine, antagonists & inhibitors"	CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1						310265094	D05173				Nisoxetine	CHEMBL295467	
DB09194	Etoperidone	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators	CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC						310265102					Etoperidone	CHEMBL1743259	
DB09194	Etoperidone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators	CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC						310265102					Etoperidone	CHEMBL1743259	
DB09194	Etoperidone	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	7855217	"Cusack B, Nelson A, Richelson E: Binding of antidepressants to human brain receptors: focus on newer generation compounds. Psychopharmacology (Berl). 1994 May;114(4):559-65."	Withdrawn	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Piperazines; Central Nervous System Depressants; Pyridones; Serotonin 5-HT2 Receptor Antagonists; Combined Inhibitors of Serotonin/Norepinephrine Reuptake; Psychoanaleptics; Nervous System; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Serotonin Receptor Antagonists; Antidepressive Agents; Pyridines; Serotonin Modulators	CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC						310265102					Etoperidone	CHEMBL1743259	
DB09195	Lorpiprazole	BE0000533	HTR2C	P28335	5HT2C_HUMAN	antagonist	22232986	"Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25."	Approved	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators	[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2						310265103					Lorpiprazole		
DB09195	Lorpiprazole	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	22232986	"Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25."	Approved	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators	[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2						310265103					Lorpiprazole		
DB09195	Lorpiprazole	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	antagonist	22232986	"Jarema M, Dudek D, Landowski J, Heitzman J, Rabe-Jablonska J, Rybakowski J: [Trazodon--the antidepressant: mechanism of action and its position in the treatment of depression]. Psychiatr Pol. 2011 Jul-Aug;45(4):611-25."	Approved	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Cytochrome P-450 CYP2D6 Substrates; Serotonin 5-HT2A Receptor Antagonists; Serotonin Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Serotonin 5-HT2C Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonin Receptor Antagonists; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Antidepressive Agents; Serotonin Modulators	[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2						310265103					Lorpiprazole		
DB09198	Lobeglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	25648999	"Lee JH, Noh CK, Yim CS, Jeong YS, Ahn SH, Lee W, Kim DD, Chung SJ: Kinetics of the Absorption, Distribution, Metabolism, and Excretion of Lobeglitazone, a Novel Activator of Peroxisome Proliferator-Activated Receptor Gamma in Rats. J Pharm Sci. 2015 Sep;104(9):3049-59. doi: 10.1002/jps.24378. Epub 2015 Feb 3."	Experimental	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Alimentary Tract and Metabolism; Cytochrome P-450 CYP1A2 Inhibitors (moderate); PPAR gamma, agonists; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Drugs Used in Diabetes; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; PPAR alpha, agonists"	COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1						310265106					Lobeglitazone	CHEMBL3585580	
DB09201	Ciglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	12391285; 12604364	"Wick M, Hurteau G, Dessev C, Chan D, Geraci MW, Winn RA, Heasley LE, Nemenoff RA: Peroxisome proliferator-activated receptor-gamma is a target of nonsteroidal anti-inflammatory drugs mediating cyclooxygenase-independent inhibition of lung cancer cell growth. Mol Pharmacol. 2002 Nov;62(5):1207-14.@@Hinz B, Brune K, Pahl A: 15-Deoxy-Delta(12,14)-prostaglandin J2 inhibits the expression of proinflammatory genes in human blood monocytes via a PPAR-gamma-independent mechanism. Biochem Biophys Res Commun. 2003 Mar 7;302(2):415-20. doi: 10.1016/s0006-291x(03)00195-5."	Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Cytochrome P-450 CYP2C8 Inhibitors; Thiazoles; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Substrates; Thiazolidinediones; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates; Blood Glucose Lowering Agents; Cytochrome P-450 CYP2C8 Substrates	CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1						310265109	D03493				Ciglitazone	CHEMBL7002	
DB09202	Cirazoline	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist	8564227; 6123592	"Horie K, Obika K, Foglar R, Tsujimoto G: Selectivity of the imidazoline alpha-adrenoceptor agonists (oxymetazoline and cirazoline) for human cloned alpha 1-adrenoceptor subtypes. Br J Pharmacol. 1995 Sep;116(1):1611-8.@@Ruffolo RR Jr, Waddell JE: Receptor interactions of imidazolines. IX. Cirazoline is an alpha-1 adrenergic agonist and an alpha-2 adrenergic antagonist. J Pharmacol Exp Ther. 1982 Jul;222(1):29-36."	Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Respiratory System Agents; Cardiovascular Agents; Adrenergic Agonists; Adrenergic alpha-Agonists; Neurotransmitter Agents; Vasoconstrictor Agents; Agents that produce hypertension; Agents producing tachycardia; Nasal Decongestants; Adrenergic Agents; Adrenergic alpha-1 Receptor Agonists	[H]N1CCN=C1COC1=CC=CC=C1C1CC1						310265110					Cirazoline	CHEMBL13852	
DB09202	Cirazoline	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	partial agonist	8564227; 6123592	"Horie K, Obika K, Foglar R, Tsujimoto G: Selectivity of the imidazoline alpha-adrenoceptor agonists (oxymetazoline and cirazoline) for human cloned alpha 1-adrenoceptor subtypes. Br J Pharmacol. 1995 Sep;116(1):1611-8.@@Ruffolo RR Jr, Waddell JE: Receptor interactions of imidazolines. IX. Cirazoline is an alpha-1 adrenergic agonist and an alpha-2 adrenergic antagonist. J Pharmacol Exp Ther. 1982 Jul;222(1):29-36."	Experimental	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Respiratory System Agents; Cardiovascular Agents; Adrenergic Agonists; Adrenergic alpha-Agonists; Neurotransmitter Agents; Vasoconstrictor Agents; Agents that produce hypertension; Agents producing tachycardia; Nasal Decongestants; Adrenergic Agents; Adrenergic alpha-1 Receptor Agonists	[H]N1CCN=C1COC1=CC=CC=C1C1CC1						310265110					Cirazoline	CHEMBL13852	
DB09207	AS-8112	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	11350861	"Yoshikawa T, Yoshida N, Oka M: The broad-spectrum anti-emetic activity of AS-8112, a novel dopamine D2, D3 and 5-HT3 receptors antagonist. Br J Pharmacol. 2001 May;133(2):253-60."	Experimental	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Neurotransmitter Agents; Dopamine Antagonists; Dopamine Agents; Dopamine D2 Receptor Antagonists	[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1						310265115					AS-8112		
DB09207	AS-8112	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	11350861	"Yoshikawa T, Yoshida N, Oka M: The broad-spectrum anti-emetic activity of AS-8112, a novel dopamine D2, D3 and 5-HT3 receptors antagonist. Br J Pharmacol. 2001 May;133(2):253-60."	Experimental	Aminobenzamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Neurotransmitter Agents; Dopamine Antagonists; Dopamine Agents; Dopamine D2 Receptor Antagonists	[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1						310265115					AS-8112		
DB09209	Pholcodine	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist			Approved; Illicit	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Morphine Derivatives; Respiratory System Agents; Phenanthrenes; Antitussive Agents; Sensory System Agents; Heterocyclic Compounds, Fused-Ring; Morphinans; Central Nervous System Agents; Opium Alkaloids and Derivatives; Oxazines; Alkaloids; Cough and Cold Preparations; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Peripheral Nervous System Agents; Analgesics"	[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O						310265116	D07385				Pholcodine	CHEMBL2105224	33431
DB09211	Limaprost	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist			Investigational	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Inflammation Mediators; Fatty Acids, Monounsaturated; Biological Factors; Prostaglandins E; Prostaglandins; Lipids; Autacoids; Fatty Acids; Eicosanoids; Fatty Acids, Unsaturated"	CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O						310265118	D02722					CHEMBL2107456	
DB09213	Dexibuprofen	BE0000246	BCL2	P10415	BCL2_HUMAN	negative modulator	22668799	"Palayoor ST, J-Aryankalayil M, Makinde AY, Cerna D, Falduto MT, Magnuson SR, Coleman CN: Gene expression profile of coronary artery cells treated with nonsteroidal anti-inflammatory drugs reveals off-target effects. J Cardiovasc Pharmacol. 2012 Jun;59(6):487-99. doi: 10.1097/FJC.0b013e31824ba6b5."	Approved; Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates"	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O						310265120	D03715	PA166049174			Dexibuprofen	CHEMBL175	
DB09213	Dexibuprofen	BE0000215	PPARG	P37231	PPARG_HUMAN	activator	20089905	"Dill J, Patel AR, Yang XL, Bachoo R, Powell CM, Li S: A molecular mechanism for ibuprofen-mediated RhoA inhibition in neurons. J Neurosci. 2010 Jan 20;30(3):963-72. doi: 10.1523/JNEUROSCI.5045-09.2010."	Approved; Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates"	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O						310265120	D03715	PA166049174			Dexibuprofen	CHEMBL175	
DB09213	Dexibuprofen	BE0001195	CFTR	P13569	CFTR_HUMAN	inhibitor	9710435	"Devor DC, Schultz BD: Ibuprofen inhibits cystic fibrosis transmembrane conductance regulator-mediated Cl- secretion. J Clin Invest. 1998 Aug 15;102(4):679-87."	Approved; Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates"	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O						310265120	D03715	PA166049174			Dexibuprofen	CHEMBL175	
DB09213	Dexibuprofen	BE0001018	SLC15A1	P46059	S15A1_HUMAN		21147219	"Omkvist DH, Trangbaek DJ, Mildon J, Paine JS, Brodin B, Begtrup M, Nielsen CU: Affinity and translocation relationships via hPEPT1 of H-X aa-Ser-OH dipeptides: evaluation of H-Phe-Ser-OH as a pro-moiety for ibuprofen and benzoic acid prodrugs. Eur J Pharm Biopharm. 2011 Feb;77(2):327-31. doi: 10.1016/j.ejpb.2010.12.009. Epub 2010 Dec 13."	Approved; Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates"	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O						310265120	D03715	PA166049174			Dexibuprofen	CHEMBL175	
DB09213	Dexibuprofen	BE0000071	PPARA	Q07869	PPARA_HUMAN		9013583	"Lehmann JM, Lenhard JM, Oliver BB, Ringold GM, Kliewer SA: Peroxisome proliferator-activated receptors alpha and gamma are activated by indomethacin and other non-steroidal anti-inflammatory drugs. J Biol Chem. 1997 Feb 7;272(6):3406-10."	Approved; Investigational	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids	"Non COX-2 selective NSAIDS; UGT2B7 substrates; Anti-Inflammatory Agents; Nephrotoxic agents; Cytochrome P-450 CYP2C8 Substrates; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 CYP2C19 Substrates; Phenylpropionates; Musculo-Skeletal System; UGT1A3 substrates; Acids, Carbocyclic; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Agents that produce hypertension; Propionates; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Anti-Inflammatory Agents, Non-Steroidal (Non-Selective); UGT1A1 Substrates"	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O						310265120	D03715	PA166049174			Dexibuprofen	CHEMBL175	
DB09220	Nicorandil	BE0000469	ABCC9	O60706	ABCC9_HUMAN	activator	12770942	"Russ U, Lange U, Loffler-Walz C, Hambrock A, Quast U: Binding and effect of K ATP channel openers in the absence of Mg2+. Br J Pharmacol. 2003 May;139(2):368-80."	Approved; Investigational	Nicotinamides	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	Antiarrhythmic agents; Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Agents causing hyperkalemia; Vasodilating Agents; Potassium Channel Opener; Antihypertensive Agents; Nitrates; Nicotinic Acids; Drugs that are Mainly Renally Excreted; Pyridines; Micronutrients	[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1						310265127	D01810				Nicorandil	CHEMBL284906	31748
DB09221	Polaprezinc	BE0000029	FLT1	P17948	VGFR1_HUMAN	agonist			Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides"	NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1						310265128	D01611				Zinc_L-carnosine	CHEMBL3184454	2179843
DB09221	Polaprezinc	BE0001094	NGF	P01138	NGF_HUMAN	agonist			Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides"	NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1						310265128	D01611				Zinc_L-carnosine	CHEMBL3184454	2179843
DB09221	Polaprezinc	BE0001120	HSP90AA1	P07900	HS90A_HUMAN	agonist			Experimental	Hybrid peptides	Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides	"Anti-Ulcer Agents; Zinc Compounds; Oligopeptides; Metal divalent cations; Nerve Tissue Proteins; Neuropeptides; Peptides; Proteins; Tumor Necrosis Factor Blockers; Metal cations; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Dipeptides"	NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1						310265128	D01611				Zinc_L-carnosine	CHEMBL3184454	2179843
DB09223	Blonanserin	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	20030420	"Deeks ED, Keating GM: Blonanserin: a review of its use in the management of schizophrenia. CNS Drugs. 2010 Jan;24(1):65-84. doi: 10.2165/11202620-000000000-00000."	Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antipsychotic Agents; Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Neurotoxic agents; Dopamine D2 Receptor Antagonists	CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1						310265129	D01176				Blonanserin	CHEMBL178803	
DB09223	Blonanserin	BE0000581	DRD3	P35462	DRD3_HUMAN	antagonist	20030420	"Deeks ED, Keating GM: Blonanserin: a review of its use in the management of schizophrenia. CNS Drugs. 2010 Jan;24(1):65-84. doi: 10.2165/11202620-000000000-00000."	Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antipsychotic Agents; Serotonin Agents; Serotonin 5-HT2A Receptor Antagonists; Central Nervous System Depressants; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 Substrates; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Cytochrome P-450 CYP3A4 Substrates; Serotonin Receptor Antagonists; Antidepressive Agents; Neurotoxic agents; Dopamine D2 Receptor Antagonists	CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1						310265129	D01176				Blonanserin	CHEMBL178803	
DB09224	Melperone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist			Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Antiarrhythmic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Moderate Risk QTc-Prolonging Agents; Nervous System	CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1						310265130	D07309				Melperone	CHEMBL1531134	29961
DB09225	Zotepine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	23427194	"Suzuki H, Gen K, Inoue Y: Comparison of the anti-dopamine D(2) and anti-serotonin 5-HT(2A) activities of chlorpromazine, bromperidol, haloperidol and second-generation antipsychotics parent compounds and metabolites thereof. J Psychopharmacol. 2013 Apr;27(4):396-400. doi: 10.1177/0269881113478281. Epub 2013 Feb 20."	Approved; Investigational; Withdrawn	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thiepins; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12						310265131	D01321				Zotepine	CHEMBL285802	40003
DB09225	Zotepine	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist			Approved; Investigational; Withdrawn	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thiepins; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12						310265131	D01321				Zotepine	CHEMBL285802	40003
DB09225	Zotepine	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	antagonist			Approved; Investigational; Withdrawn	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thiepins; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12						310265131	D01321				Zotepine	CHEMBL285802	40003
DB09225	Zotepine	BE0000749	SLC6A4	P31645	SC6A4_HUMAN	antagonist			Approved; Investigational; Withdrawn	Dibenzothiepins	Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins	"Serotonin 5-HT2A Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Thiepins; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates"	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12						310265131	D01321				Zotepine	CHEMBL285802	40003
DB09227	Barnidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	7760349; 19416978; 11022040	"Kwan YW, Bangalore R, Lakitsh M, Glossmann H, Kass RS: Inhibition of cardiac L-type calcium channels by quaternary amlodipine: implications for pharmacokinetics and access to dihydropyridine binding site. J Mol Cell Cardiol. 1995 Jan;27(1):253-62.@@Tikhonov DB, Zhorov BS: Structural model for dihydropyridine binding to L-type calcium channels. J Biol Chem. 2009 Jul 10;284(28):19006-17. doi: 10.1074/jbc.M109.011296. Epub 2009 May 5.@@Yamaguchi S, Okamura Y, Nagao T, Adachi-Akahane S: Serine residue in the IIIS5-S6 linker of the L-type Ca2+ channel alpha 1C subunit is the critical determinant of the action of dihydropyridine Ca2+ channel agonists. J Biol Chem. 2000 Dec 29;275(52):41504-11. doi: 10.1074/jbc.M007165200."	Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1						310265132					Barnidipine	CHEMBL2103761	39879
DB09227	Barnidipine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	antagonist	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1						310265132					Barnidipine	CHEMBL2103761	39879
DB09228	Conestat alfa	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	6184384	"van der Graaf F, Koedam JA, Bouma BN: Inactivation of kallikrein in human plasma. J Clin Invest. 1983 Jan;71(1):149-58."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Protease Inhibitors; Enzyme Inhibitors; Carbohydrates; Immunoproteins; Complement C1 Inactivator Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins; Drugs Used in Hereditary Angioedema; Angioedemas, Hereditary, drug therapy; Proteins; Glycoconjugates; Complement System Proteins; C1 inhibitors; Blood and Blood Forming Organs; Serpins; Peptides; Complement Inactivator Proteins; Serine Protease Inhibitors; Blood Proteins"							347910420			P05155		C1-inhibitor		1599831
DB09229	Aranidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist			Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O						310265133	D01562				Aranidipine	CHEMBL2104030	
DB09229	Aranidipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	antagonist			Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O						310265133	D01562				Aranidipine	CHEMBL2104030	
DB09229	Aranidipine	BE0002357	CACNA1F	O60840	CAC1F_HUMAN	antagonist			Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O						310265133	D01562				Aranidipine	CHEMBL2104030	
DB09231	Benidipine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	antagonist	16565579	"Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25."	Experimental	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1						310265135					Benidipine	CHEMBL2105555	
DB09231	Benidipine	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	antagonist	16565579	"Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25."	Experimental	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1						310265135					Benidipine	CHEMBL2105555	
DB09231	Benidipine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	antagonist	16565579	"Yao K, Nagashima K, Miki H: Pharmacological, pharmacokinetic, and clinical properties of benidipine hydrochloride, a novel, long-acting calcium channel blocker. J Pharmacol Sci. 2006 Apr;100(4):243-61. Epub 2006 Mar 25."	Experimental	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	QTc Prolonging Agents; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1						310265135					Benidipine	CHEMBL2105555	
DB09232	Cilnidipine	BE0002226	CACNA1B	Q00975	CAC1B_HUMAN	antagonist	25336921	"Lee J, Lee H, Jang K, Lim KS, Shin D, Yu KS: Evaluation of the pharmacokinetic and pharmacodynamic drug interactions between cilnidipine and valsartan, in healthy volunteers. Drug Des Devel Ther. 2014 Oct 8;8:1781-8. doi: 10.2147/DDDT.S68574. eCollection 2014."	Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Bradycardia-Causing Agents; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridine Derivatives; Pyridines	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1						310265136	D01173				Cilnidipine	CHEMBL452076	
DB09232	Cilnidipine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	antagonist	25336921	"Lee J, Lee H, Jang K, Lim KS, Shin D, Yu KS: Evaluation of the pharmacokinetic and pharmacodynamic drug interactions between cilnidipine and valsartan, in healthy volunteers. Drug Des Devel Ther. 2014 Oct 8;8:1781-8. doi: 10.2147/DDDT.S68574. eCollection 2014."	Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Bradycardia-Causing Agents; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridine Derivatives; Pyridines	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1						310265136	D01173				Cilnidipine	CHEMBL452076	
DB09235	Efonidipine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	antagonist	12070536	"Tanaka H, Shigenobu K: Efonidipine hydrochloride: a dual blocker of L- and T-type ca(2+) channels. Cardiovasc Drug Rev. 2002 Winter;20(1):81-92."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09235	Efonidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		12070536	"Tanaka H, Shigenobu K: Efonidipine hydrochloride: a dual blocker of L- and T-type ca(2+) channels. Cardiovasc Drug Rev. 2002 Winter;20(1):81-92."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09235	Efonidipine	BE0009739	CACNA1C	O00305	CACB4_HUMAN	blocker	16398057	Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002.	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09235	Efonidipine	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inhibitor	18091748	"Shima E, Katsube M, Kato T, Kitagawa M, Hato F, Hino M, Takahashi T, Fujita H, Kitagawa S: Calcium channel blockers suppress cytokine-induced activation of human neutrophils. Am J Hypertens. 2008 Jan;21(1):78-84. doi: 10.1038/ajh.2007.13."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09235	Efonidipine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	inhibitor	16398057	Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002.	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09235	Efonidipine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09236	Lacidipine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	antagonist	9051306	"Cerbai E, Giotti A, Mugelli A: Characteristics of L-type calcium channel blockade by lacidipine in guinea-pig ventricular myocytes. Br J Pharmacol. 1997 Feb;120(4):667-75. doi: 10.1038/sj.bjp.0700951."	Approved; Investigational	Cinnamic acid esters	Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acid esters	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Mutagens; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC						310265140	D04657				Lacidipine	CHEMBL460291	28382
DB09237	Levamlodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	25966690; 30645721	"Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22.@@Johnson R, Dludla P, Mabhida S, Benjeddou M, Louw J, February F: Pharmacogenomics of amlodipine and hydrochlorothiazide therapy and the quest for improved control of hypertension: a mini review. Heart Fail Rev. 2019 May;24(3):343-357. doi: 10.1007/s10741-018-09765-y."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC						310265141					Levamlodipine	CHEMBL2111097	2376944
DB09237	Levamlodipine	BE0002359	CACNA1D	Q01668	CAC1D_HUMAN	antagonist	30645721	"Johnson R, Dludla P, Mabhida S, Benjeddou M, Louw J, February F: Pharmacogenomics of amlodipine and hydrochlorothiazide therapy and the quest for improved control of hypertension: a mini review. Heart Fail Rev. 2019 May;24(3):343-357. doi: 10.1007/s10741-018-09765-y."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC						310265141					Levamlodipine	CHEMBL2111097	2376944
DB09237	Levamlodipine	BE0000263	NOS3	P29474	NOS3_HUMAN	agonist	23959544	"He Y, Si D, Yang C, Ni L, Li B, Ding M, Yang P: The effects of amlodipine and S(-)-amlodipine on vascular endothelial function in patients with hypertension. Am J Hypertens. 2014 Jan;27(1):27-31. doi: 10.1093/ajh/hpt138. Epub 2013 Aug 19."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC						310265141					Levamlodipine	CHEMBL2111097	2376944
DB09238	Manidipine	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	blocker	15329044	"McKeage K, Scott LJ: Manidipine: a review of its use in the management of hypertension. Drugs. 2004;64(17):1923-40."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1						347827830					Manidipine	CHEMBL1085699	29275
DB09238	Manidipine	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	inhibitor	15329044; 16398057	"McKeage K, Scott LJ: Manidipine: a review of its use in the management of hypertension. Drugs. 2004;64(17):1923-40.@@Richard S: Vascular effects of calcium channel antagonists: new evidence. Drugs. 2005;65 Suppl 2:1-10. doi: 10.2165/00003495-200565002-00002."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1						347827830					Manidipine	CHEMBL1085699	29275
DB09238	Manidipine	BE0000483	CACNA1G	O43497	CAC1G_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1						347827830					Manidipine	CHEMBL1085699	29275
DB09238	Manidipine	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN	inhibitor	19401195	"Furukawa T, Nukada T, Namiki Y, Miyashita Y, Hatsuno K, Ueno Y, Yamakawa T, Isshiki T: Five different profiles of dihydropyridines in blocking T-type Ca(2+) channel subtypes (Ca(v)3.1 (alpha(1G)), Ca(v)3.2 (alpha(1H)), and Ca(v)3.3 (alpha(1I))) expressed in Xenopus oocytes. Eur J Pharmacol. 2009 Jun 24;613(1-3):100-7. doi: 10.1016/j.ejphar.2009.04.036. Epub 2009 May 3."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Benzene Derivatives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Pyridines; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Nitro Compounds; Cytochrome P-450 CYP2B6 Inhibitors (weak); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1						347827830					Manidipine	CHEMBL1085699	29275
DB09239	Niguldipine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	8183249	"Forray C, Bard JA, Wetzel JM, Chiu G, Shapiro E, Tang R, Lepor H, Hartig PR, Weinshank RL, Branchek TA, et al.: The alpha 1-adrenergic receptor that mediates smooth muscle contraction in human prostate has the pharmacological properties of the cloned human alpha 1c subtype. Mol Pharmacol. 1994 Apr;45(4):703-8."	Experimental	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Pyridines; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; Antineoplastic Agents; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	[H]N1C(C)=C([C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC						310265142					Niguldipine	CHEMBL405355	
DB09241	Methylene blue	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	inhibitor	21547182; 27047301; 10439772; 19760660	"Ginimuge PR, Jyothi SD: Methylene blue: revisited. J Anaesthesiol Clin Pharmacol. 2010 Oct;26(4):517-20.@@Evora PR: Methylene Blue Is a Guanylate Cyclase Inhibitor That Does Not Interfere with Nitric Oxide Synthesis. Tex Heart Inst J. 2016 Feb 1;43(1):103. doi: 10.14503/THIJ-15-5629. eCollection 2016 Feb.@@Masaki E, Kondo I: Methylene blue, a soluble guanylyl cyclase inhibitor, reduces the sevoflurane minimum alveolar anesthetic concentration and decreases the brain cyclic guanosine monophosphate content in rats. Anesth Analg. 1999 Aug;89(2):484-9. doi: 10.1097/00000539-199908000-00045.@@Oz M, Lorke DE, Hasan M, Petroianu GA: Cellular and molecular actions of Methylene Blue in the nervous system. Med Res Rev. 2011 Jan;31(1):93-117. doi: 10.1002/med.20177."	Approved; Investigational	Benzothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; OCT2 Inhibitors; Enzyme Inhibitors; Gastric Function; Cytochrome P-450 CYP1A2 Inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Oxidation-Reduction Agent; UGT1A9 Inhibitors; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Tests for Gastric Secretion; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Antidotes; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; UGT1A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Monoamine Oxidase Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1					7160	310265144					Methylene_blue	CHEMBL405110	6878
DB09241	Methylene blue	BE0000067	NOS1	P29475	NOS1_HUMAN	inhibitor	7679577; 21547182; 10224309; 19760660	"Mayer B, Brunner F, Schmidt K: Inhibition of nitric oxide synthesis by methylene blue. Biochem Pharmacol. 1993 Jan 26;45(2):367-74. doi: 10.1016/0006-2952(93)90072-5.@@Ginimuge PR, Jyothi SD: Methylene blue: revisited. J Anaesthesiol Clin Pharmacol. 2010 Oct;26(4):517-20.@@Volke V, Wegener G, Vasar E, Rosenberg R: Methylene blue inhibits hippocampal nitric oxide synthase activity in vivo. Brain Res. 1999 May 1;826(2):303-5. doi: 10.1016/s0006-8993(99)01253-6.@@Oz M, Lorke DE, Hasan M, Petroianu GA: Cellular and molecular actions of Methylene Blue in the nervous system. Med Res Rev. 2011 Jan;31(1):93-117. doi: 10.1002/med.20177."	Approved; Investigational	Benzothiazines	Organic compounds; Organoheterocyclic compounds; Benzothiazines	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Phenothiazines; OCT2 Inhibitors; Enzyme Inhibitors; Gastric Function; Cytochrome P-450 CYP1A2 Inducers; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Cytochrome P-450 CYP3A5 Inhibitors; Antidepressive Agents; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Antipsychotic Agents; Cytochrome P-450 Enzyme Inducers; Oxidation-Reduction Agent; UGT1A9 Inhibitors; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Tests for Gastric Secretion; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2D6 Substrates; Diagnostic Agents; Antidotes; Heterocyclic Compounds, Fused-Ring; Agents that reduce seizure threshold; UGT1A4 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Drugs causing inadvertant photosensitivity; MATE inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotoxic agents; Monoamine Oxidase Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Sulfur Compounds; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1					7160	310265144					Methylene_blue	CHEMBL405110	6878
DB09242	Moxonidine	BE0003580	NISCH	Q9Y2I1	NISCH_HUMAN	agonist	8380858; 7791087	"Ernsberger P, Damon TH, Graff LM, Schafer SG, Christen MO: Moxonidine, a centrally acting antihypertensive agent, is a selective ligand for I1-imidazoline sites. J Pharmacol Exp Ther. 1993 Jan;264(1):172-82.@@Buccafusco JJ, Lapp CA, Westbrooks KL, Ernsberger P: Role of medullary I1-imidazoline and alpha 2-adrenergic receptors in the antihypertensive responses evoked by central administration of clonidine analogs in conscious spontaneously hypertensive rats. J Pharmacol Exp Ther. 1995 Jun;273(3):1162-71."	Approved; Investigational	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Hypotensive Agents; Cardiovascular Agents; Antiadrenergic Agents, Centrally Acting; Imidazoline Receptor Agonists; Adrenergic Agonists; Adrenergic alpha-Agonists; Sympatholytics; Antihypertensive Agents; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Agents that produce hypertension"	COC1=NC(C)=NC(Cl)=C1NC1=NCCN1						310265145	D05087				Moxonidine	CHEMBL19236	30257
DB09257	Gimeracil	BE0000960	DPYD	Q12882	DPYD_HUMAN	inhibitor			Approved	Pyridinones	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Drugs that are Mainly Renally Excreted	OC1=CC(=O)NC=C1Cl						310265159	D01846					CHEMBL1730601	
DB09262	Imidafenacin	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	27430986	"Kuraoka S, Ito Y, Wakuda H, Shinozuka K, Onoue S, Yamada S: Characterization of muscarinic receptor binding by the novel radioligand, [(3)H]imidafenacin, in the bladder and other tissues of rats. J Pharmacol Sci. 2016 Jul;131(3):184-9. doi: 10.1016/j.jphs.2016.06.002. Epub 2016 Jun 23."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 Substrates; UGT1A4 substrates; Cytochrome P-450 CYP3A Substrates; Urologicals; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Genito Urinary System and Sex Hormones	CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1						310265160					Imidafenacin	CHEMBL53366	
DB09262	Imidafenacin	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	27430986	"Kuraoka S, Ito Y, Wakuda H, Shinozuka K, Onoue S, Yamada S: Characterization of muscarinic receptor binding by the novel radioligand, [(3)H]imidafenacin, in the bladder and other tissues of rats. J Pharmacol Sci. 2016 Jul;131(3):184-9. doi: 10.1016/j.jphs.2016.06.002. Epub 2016 Jun 23."	Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	Anticholinergic Agents; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Cytochrome P-450 Substrates; UGT1A4 substrates; Cytochrome P-450 CYP3A Substrates; Urologicals; Agents producing tachycardia; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP3A4 Substrates; Genito Urinary System and Sex Hormones	CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1						310265160					Imidafenacin	CHEMBL53366	
DB09266	Technetium Tc-99m tilmanocept	BE0009334	MRC1	P22897	MRC1_HUMAN	ligand			Approved; Investigational			Diagnostic Radiopharmaceuticals; Technetium (99Mtc) Compounds; Tumour Detection; Radiopharmaceutical Activity; Radioactive Diagnostic Agent							347910428							1373391
DB09270	Ubidecarenone	BE0000176	SDHA	P31040	SDHA_HUMAN	cofactor	16551570	"Bhagavan HN, Chopra RK: Coenzyme Q10: absorption, tissue uptake, metabolism and pharmacokinetics. Free Radic Res. 2006 May;40(5):445-53. doi: 10.1080/10715760600617843."	Approved; Investigational; Nutraceutical	Ubiquinones	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Agents Causing Muscle Toxicity; Benzoquinones; Quinones; Physiological Phenomena; Vitamins; Coenzymes; Cardiac Therapy; Diet, Food, and Nutrition; Hypoglycemia-Associated Agents; Enzymes and Coenzymes; Food; Electron Transport Chain Complex Proteins; Ubiquinone; Other Nutritional Agents; P-glycoprotein substrates; Micronutrients"	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O					1357	310265165	D01065				Coenzyme_Q10	CHEMBL454801	21406
DB09272	Eluxadoline	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist			Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; OATP1B1/SLCO1B1 Substrates; Opioid Antagonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Antipropulsives; Amino Acids, Aromatic; Miscellaneous GI Drugs; Alimentary Tract and Metabolism; Amino Acids; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Receptors, Opioid, delta, antagonists & inhibitors; mu-Opioid Receptor Agonist; Amino Acids, Cyclic; Mixed Agonist / Antagonist Opioids; Opioids"	COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O					22846	310265167	D10403				Eluxadoline	CHEMBL2159122	1653781
DB09280	Lumacaftor	BE0001195	CFTR	P13569	CFTR_HUMAN	modulator	26416827	"Kuk K, Taylor-Cousar JL: Lumacaftor and ivacaftor in the management of patients with cystic fibrosis: current evidence and future prospects. Ther Adv Respir Dis. 2015 Dec;9(6):313-26. doi: 10.1177/1753465815601934. Epub 2015 Sep 28."	Approved	Phenylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Phenylpyridines	"Amines; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (strong); Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dioxoles; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers"	CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O					22685	310265173	D10134	PA166114483			Lumacaftor	CHEMBL2103870	1655922
DB09282	Molsidomine	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	agonist	2983523	"Kukovetz WR, Holzmann S: Mechanism of vasodilation by molsidomine. Am Heart J. 1985 Mar;109(3 Pt 2):637-40."	Approved; Investigational	Morpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	Cardiovascular Agents; Nitric Oxide Donors; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Vasodilating Agents; Oxazines; Morpholines; Sydnones; Oxadiazoles; Oxazoles	CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1						310265175	D01320				Molsidomine	CHEMBL1329455	7023
DB09283	Trapidil	BE0004922	PDE1A	P35913	PDE6B_HUMAN	inhibitor	6086387	"Mazurov AV, Menshikov MYu, Leytin VL, Tkachuk VA, Repin VS: Decrease of platelet aggregation and spreading via inhibition of the cAMP phosphodiesterase by trapidil. FEBS Lett. 1984 Jul 9;172(2):167-71."	Experimental	Triazolopyrimidines	Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines	Cardiovascular Agents; Vasodilators Used in Cardiac Diseases; Cardiac Therapy; Enzyme Inhibitors; Vasodilating Agents; Hematologic Agents; Pyrimidines; Triazoles; Antiplatelet agents; Phosphodiesterase Inhibitors	CCN(CC)C1=CC(C)=NC2=NC=NN12						310265176					Trapidil	CHEMBL132767	10735
DB09285	Morniflumate	BE0000759	TBXA2R	P21731	TA2R_HUMAN				Experimental	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"UGT1A9 Inhibitors; Musculo-Skeletal System; Anti-Inflammatory Agents, Non-Steroidal; Agents causing hyperkalemia; Acids, Carbocyclic; Anti-Inflammatory Agents; Benzoates; ortho-Aminobenzoates; Pyridines; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Nephrotoxic agents; Nicotinic Acids; Agents that produce hypertension; Benzene Derivatives; Fenamates; Aminobenzoates"	FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1						310265178	D05078				Morniflumate	CHEMBL2105059	30225
DB09286	Pipamperone	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	8935801	"Schotte A, Janssen PF, Gommeren W, Luyten WH, Van Gompel P, Lesage AS, De Loore K, Leysen JE: Risperidone compared with new and reference antipsychotic drugs: in vitro and in vivo receptor binding. Psychopharmacology (Berl). 1996 Mar;124(1-2):57-73."	Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System	NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1						310265179	D02622				Pipamperone	CHEMBL440294	33739
DB09286	Pipamperone	BE0000581	DRD3	P35462	DRD3_HUMAN				Investigational	Alkyl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Hypotensive Agents; Butyrophenone Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Ketones; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System	NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1						310265179	D02622				Pipamperone	CHEMBL440294	33739
DB09288	Propacetamol	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	antagonist			Experimental	Alpha amino acid esters	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Non COX-2 selective NSAIDS; Sensory System Agents; Amines; Acetaminophen and Prodrugs; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Nephrotoxic agents; Amides; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Anti-Inflammatory Agents, Non-Steroidal; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Prodrugs; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Analgesics, Non-Narcotic; Agents that produce hypertension; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Aniline Compounds; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cholinesterase substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System; Acetanilides; Antirheumatic Agents; Cytochrome P-450 CYP1A2 Substrates; UGT1A6 substrate"	CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1						310265180	D07294				Propacetamol	CHEMBL1851805	
DB09289	Tianeptine	BE0000640	GRIA1	P42261	GRIA1_HUMAN	modulator	19704408	"McEwen BS, Chattarji S, Diamond DM, Jay TM, Reagan LP, Svenningsson P, Fuchs E: The neurobiological properties of tianeptine (Stablon): from monoamine hypothesis to glutamatergic modulation. Mol Psychiatry. 2010 Mar;15(3):237-49. doi: 10.1038/mp.2009.80. Epub 2009 Aug 25."	Investigational	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Azepines; Thiepins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Serotonin Modulators; Agents Causing Muscle Toxicity; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs"	CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O						310265181	D02575				Tianeptine	CHEMBL1289110	38252
DB09289	Tianeptine	BE0000581	DRD3	P35462	DRD3_HUMAN	agonist	11981225	"Dziedzicka-Wasylewska M, Rogoz Z, Skuza G, Dlaboga D, Maj J: Effect of repeated treatment with tianeptine and fluoxetine on central dopamine D(2) /D(3) receptors. Behav Pharmacol. 2002 Mar;13(2):127-38."	Investigational	Medium-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Azepines; Thiepins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Serotonin Modulators; Agents Causing Muscle Toxicity; Antidepressive Agents, Tricyclic; Agents that reduce seizure threshold; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Analgesics; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Central Nervous System Agents; Nervous System; Sulfur Compounds; Narrow Therapeutic Index Drugs"	CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O						310265181	D02575				Tianeptine	CHEMBL1289110	38252
DB09291	Rolapitant	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	22497992	"Duffy RA, Morgan C, Naylor R, Higgins GA, Varty GB, Lachowicz JE, Parker EM: Rolapitant (SCH 619734): a potent, selective and orally active neurokinin NK1 receptor antagonist with centrally-mediated antiemetic effects in ferrets. Pharmacol Biochem Behav. 2012 Jul;102(1):95-100. doi: 10.1016/j.pbb.2012.03.021.  Epub 2012 Mar 31."	Approved; Investigational	Delta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; BCRP/ABCG2 Inhibitors; Antiemetics and Antinauseants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Neurokinin 1 Antagonists; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP3A4 Substrates; Alimentary Tract and Metabolism	C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F						310265183	D10742				Rolapitant	CHEMBL3707331	1665496
DB09292	Sacubitril	BE0000266	MME	P08473	NEP_HUMAN	antagonist			Approved	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	"Hypotensive Agents; OATP1B1/SLCO1B1 Inhibitors; Amino Acids; OATP1B3 inhibitors; Pharmaceutical Preparations; Amino Acids, Essential; Tetrazoles; Agents causing angioedema; Amino Acids, Branched-Chain; Neprilysin, antagonists & inhibitors; Acids, Acyclic; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Butyrates; Neprilysin Inhibitor"	CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O					22647	310265184	D10225	PA166131580			Sacubitril	CHEMBL3137301	1656328
DB09300	Butylscopolamine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17547475	Tytgat GN: Hyoscine butylbromide: a review of its use in the treatment of abdominal cramping and pain. Drugs. 2007;67(9):1343-57.	Approved; Investigational; Vet_approved			"Quaternary Ammonium Compounds; Amines; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Belladonna and Derivatives, Plain; Alkaloids; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Scopolamine Derivatives; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds"	CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9008	310265192	D01451				Hyoscine_butylbromide	CHEMBL1618102	1085787
DB09300	Butylscopolamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	17547475	Tytgat GN: Hyoscine butylbromide: a review of its use in the treatment of abdominal cramping and pain. Drugs. 2007;67(9):1343-57.	Approved; Investigational; Vet_approved			"Quaternary Ammonium Compounds; Amines; Agents producing tachycardia; Cholinergic Agents; Azabicyclo Compounds; Autonomic Agents; Aza Compounds; Belladonna and Derivatives, Plain; Alkaloids; Alimentary Tract and Metabolism; Tropanes; Anticholinergic Agents; Scopolamine Derivatives; Peripheral Nervous System Agents; Antimuscarinics Antispasmodics; Parasympatholytics; Muscarinic Antagonists; Drugs for Functional Gastrointestinal Disorders; Neurotransmitter Agents; Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds"	CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1					9008	310265192	D01451				Hyoscine_butylbromide	CHEMBL1618102	1085787
DB09301	Chondroitin sulfate	BE0003394	BDNF	P23560	BDNF_HUMAN		15385557	"Nandini CD, Mikami T, Ohta M, Itoh N, Akiyama-Nambu F, Sugahara K: Structural and functional characterization of oversulfated chondroitin sulfate/dermatan sulfate hybrid chains from the notochord of hagfish. Neuritogenic and binding activities for growth factors and neurotrophic factors. J Biol Chem. 2004 Dec 3;279(49):50799-809. Epub 2004 Sep 22."	Approved; Investigational; Nutraceutical			"Glycosaminoglycans; Musculo-Skeletal System; Polysaccharides; Carbohydrates; Chondroitin; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs that are Mainly Renally Excreted"							347910430	D00080				Chondroitin_sulfate		2473
DB09301	Chondroitin sulfate	BE0002486	GDNF	P39905	GDNF_HUMAN		15385557	"Nandini CD, Mikami T, Ohta M, Itoh N, Akiyama-Nambu F, Sugahara K: Structural and functional characterization of oversulfated chondroitin sulfate/dermatan sulfate hybrid chains from the notochord of hagfish. Neuritogenic and binding activities for growth factors and neurotrophic factors. J Biol Chem. 2004 Dec 3;279(49):50799-809. Epub 2004 Sep 22."	Approved; Investigational; Nutraceutical			"Glycosaminoglycans; Musculo-Skeletal System; Polysaccharides; Carbohydrates; Chondroitin; Antiinflammatory and Antirheumatic Products; Antiinflammatory and Antirheumatic Products, Non-Steroids; Drugs that are Mainly Renally Excreted"							347910430	D00080				Chondroitin_sulfate		2473
DB09304	Setiptiline	BE0004862	HTR1A	P34969	5HT7R_HUMAN	antagonist	2806365	"Tohda M, Takasu T, Nomura Y: Effects of antidepressants on serotonin-evoked current in Xenopus oocytes injected with rat brain mRNA. Eur J Pharmacol. 1989 Jul 4;166(1):57-63."	Experimental	Dibenzocycloheptenes	Organic compounds; Benzenoids; Dibenzocycloheptenes	"Dibenzazepines; Antidepressive Agents, Tetracyclic; Heterocyclic Compounds, Fused-Ring"	CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21						310265193	D08511				Setiptiline	CHEMBL2104895	
DB09317	"Synthetic Conjugated Estrogens, A"	BE0000123	ESR1	P03372	ESR1_HUMAN	ligand			Approved			"Gonadal Steroid Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Estrogens; Cytochrome P-450 CYP3A Substrates; Drugs that are Mainly Renally Excreted; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347910437					Conjugated_estrogen	CHEMBL1201649	253166
DB09318	"Synthetic Conjugated Estrogens, B"	BE0000123	ESR1	P03372	ESR1_HUMAN	ligand			Approved			"Gonadal Steroid Hormones; Cytochrome P-450 Substrates; Gonadal Hormones; Estrogens; Cytochrome P-450 CYP3A Substrates; Drugs that are Mainly Renally Excreted; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347910438	D05987				Conjugated_estrogen	CHEMBL1201467	618365
DB09327	Tegafur-uracil	BE0000960	DPYD	Q12882	DPYD_HUMAN	antagonist	12950123	"Kim DJ, Kim TI, Suh JH, Cho YS, Shin SK, Kang JK, Kim NK, Kim WH: Oral tegafur-uracil plus folinic acid versus intravenous 5-fluorouracil plus folinic acid as adjuvant chemotherapy of colon cancer. Yonsei Med J. 2003 Aug 30;44(4):665-75. doi: 10.3349/ymj.2003.44.4.665."	Approved; Investigational	Halopyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates	O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O						310265209					Tegafur-uracil		
DB09329	"Antihemophilic factor (recombinant), PEGylated"	BE0001043	VWF	P04275	VWF_HUMAN	binder	6424437; 23398640	"Chavin SI: Factor VIII: structure and function in blood clotting. Am J Hematol. 1984 Apr;16(3):297-306.@@Tiede A, Brand B, Fischer R, Kavakli K, Lentz SR, Matsushita T, Rea C, Knobe K, Viuff D: Enhancing the pharmacokinetic properties of recombinant factor VIII: first-in-human trial of glycoPEGylated recombinant factor VIII in patients with hemophilia A. J Thromb Haemost. 2013 Apr;11(4):670-8. doi: 10.1111/jth.12161."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Protein Precursors; Biological Factors; Glycols; Hemostatics; Polymers; Alcohols; Pegylated agents; Proteins; Blood Coagulation Factors; Drugs that are Mainly Renally Excreted; Ethylene Glycols; Blood Proteins; Human Antihemophilic Factors; Macromolecular Substances; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"						22819	347910440							1741397
DB09330	Osimertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26522274; 34104899	"Yosaatmadja Y, Silva S, Dickson JM, Patterson AV, Smaill JB, Flanagan JU, McKeage MJ, Squire CJ: Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed. J Struct Biol. 2015 Dec;192(3):539-44. doi: 10.1016/j.jsb.2015.10.018. Epub 2015  Nov 2.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13."	Approved	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Amines; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Heterocyclic Compounds, Fused-Ring; Acrylates; Acids, Acyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C					22731	310265210		PA166131626			Osimertinib	CHEMBL3353410	1721560
DB09332	Kappadione	BE0000364	F9	P00740	FA9_HUMAN	agonist			Approved	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes		[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1						310265211					Kappadione		
DB09334	Seractide acetate	BE0000848	MC2R	Q01718	ACTHR_HUMAN	agonist			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"														CHEMBL1201489	1999801
DB09336	Technetium Tc-99m nofetumomab merpentan	BE0000066	MS4A1	P11836	CD20_HUMAN	binder			Approved; Withdrawn			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Organometallic Compounds; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347910442							
DB09338	Mersalyl	BE0003546	ALPL	P05186	PPBT_HUMAN	antagonist			Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Mercurial Diuretics; Organometallic Compounds; Enzyme Inhibitors; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Alkylmercury Compounds; Organomercury Compounds; Drugs that are Mainly Renally Excreted"	COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O						310265214					Mersalyl	CHEMBL1201330	6774
DB09338	Mersalyl	BE0000669	SLC16A1	P53985	MOT1_HUMAN	antagonist			Experimental	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Mercurial Diuretics; Organometallic Compounds; Enzyme Inhibitors; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Alkylmercury Compounds; Organomercury Compounds; Drugs that are Mainly Renally Excreted"	COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O						310265214					Mersalyl	CHEMBL1201330	6774
DB09342	Propoxycaine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	blocker	22053156	"Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011."	Approved	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, Local; Hydroxybenzoate Ethers; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Anesthetics; Hydroxybenzoates; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC						310265217					Propoxycaine	CHEMBL1195	
DB09345	Pramocaine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	blocker	22053156	"Fozzard HA, Sheets MF, Hanck DA: The sodium channel as a target for local anesthetic drugs. Front Pharmacol. 2011 Nov 1;2:68. doi: 10.3389/fphar.2011.00068. eCollection 2011."	Approved	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Antipruritics and Local Anesthetics; Oxazines; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Dermatologicals; Peripheral Nervous System Agents; Vasoprotectives; Anesthetics for Topical Use"	CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1					6343	310265219					Pramocaine	CHEMBL1198	34347
DB09369	Polyestradiol phosphate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	10230677	"Mikkola A, Ruutu M, Aro J, Rannikko S, Salo J: The role of parenteral polyestradiol phosphate in the treatment of advanced prostatic cancer on the threshold of the new millennium. Ann Chir Gynaecol. 1999;88(1):18-21."	Approved			"Fused-Ring Compounds; Steroids; Antineoplastic and Immunomodulating Agents; Gonadal Steroid Hormones; Endocrine Therapy; Gonadal Hormones; Estrogens; Hormones and Related Agents; Estranes; Hormones; Estradiol Congeners; Estrenes; Hormones, Hormone Substitutes, and Hormone Antagonists"								D07434				Polyestradiol_phosphate	CHEMBL1201477	34120
DB09371	Norethynodrel	BE0000123	ESR1	P03372	ESR1_HUMAN		20362049; 20435135	"Witters H, Freyberger A, Smits K, Vangenechten C, Lofink W, Weimer M, Bremer S, Ahr PH, Berckmans P: The assessment of estrogenic or anti-estrogenic activity of chemicals by the human stably transfected estrogen sensitive MELN cell line: results of test performance and transferability. Reprod Toxicol. 2010 Aug;30(1):60-72. doi: 10.1016/j.reprotox.2010.02.008. Epub 2010 Mar 31.@@van der Burg B, Winter R, Weimer M, Berckmans P, Suzuki G, Gijsbers L, Jonas A, van der Linden S, Witters H, Aarts J, Legler J, Kopp-Schneider A, Bremer S: Optimization and prevalidation of the in vitro ERalpha CALUX method to test estrogenic and antiestrogenic activity of compounds. Reprod Toxicol. 2010 Aug;30(1):73-80. doi: 10.1016/j.reprotox.2010.04.007. Epub 2010 May 8."	Approved	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3							D05207				Norethynodrel	CHEMBL1387	7515
DB09389	Norgestrel	BE0000557	PGR	P06401	PRGR_HUMAN	binder	11521119	"Hammond GL, Rabe T, Wagner JD: Preclinical profiles of progestins used in formulations of oral contraceptives and hormone replacement therapy. Am J Obstet Gynecol. 2001 Aug;185(2 Suppl):S24-31."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C					7503	347827838	D00954				Norgestrel	CHEMBL2107797	7518
DB09389	Norgestrel	BE0000539	SRD5A1	P18405	S5A1_HUMAN	inhibitor	11075290	"Rabe T, Kowald A, Ortmann J, Rehberger-Schneider S: Inhibition of skin 5 alpha-reductase by oral contraceptive progestins in vitro. Gynecol Endocrinol. 2000 Aug;14(4):223-30."	Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Progestogens and Estrogens, Sequential Preparations; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Contraceptives, Postcoital; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Combination Contraceptives (with Estrogen and derivatives); Contraceptives, Oral, Synthetic; Contraceptive Agents, Female; Reproductive Control Agents"	CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C					7503	347827838	D00954				Norgestrel	CHEMBL2107797	7518
DB09422	Soybean oil	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	16651709	"Nishimura M, Yamaguchi M, Naito S, Yamauchi A: Soybean oil fat emulsion to prevent TPN-induced liver damage: possible molecular mechanisms and clinical implications. Biol Pharm Bull. 2006 May;29(5):855-62."	Approved			"Caloric Agents; Biological Products; Plant Oils; Plant Preparations; Physiological Phenomena; Complex Mixtures; Diet, Food, and Nutrition; Lipid Emulsion; Oils; Fats, Unsaturated; Lipids; Food; Dietary Fats, Unsaturated; Fats; Dietary Fats"						3289	347910452					Soybean_oil		9949
DB09456	Insulin beef	BE0000033	INSR	P06213	INSR_HUMAN	agonist	27512793	De Meyts P: The Insulin Receptor and Its Signal Transduction Network .	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Insulins and Analogues for Injection, Fast-Acting; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism"							347910453							
DB09456	Insulin beef	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 31771180; 25905175	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Insulins and Analogues for Injection, Fast-Acting; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism"							347910453							
DB09460	Sodium carbonate	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor	17139284	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6."	Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"Anions; Ions; Alkalies; Carbonic Acid; Electrolytes; Carbon Compounds, Inorganic"	[Na+].[Na+].[O-]C([O-])=O					6648	347827855					Sodium_carbonate	CHEMBL186314	36685
DB09460	Sodium carbonate	BE0000535	CA4	P22748	CAH4_HUMAN	inhibitor			Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"Anions; Ions; Alkalies; Carbonic Acid; Electrolytes; Carbon Compounds, Inorganic"	[Na+].[Na+].[O-]C([O-])=O					6648	347827855					Sodium_carbonate	CHEMBL186314	36685
DB09462	Glycerin	BE0001007	PPARD	Q03181	PPARD_HUMAN	agonist			Approved; Investigational	Sugar alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation"	OCC(O)CO					7104	347827856	D00028	PA449783			Glycerol	CHEMBL692	4910
DB09462	Glycerin	BE0004522	ITPR1	Q14643	ITPR1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Sugar alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation"	OCC(O)CO					7104	347827856	D00028	PA449783			Glycerol	CHEMBL692	4910
DB09462	Glycerin	BE0003094	PAPSS1	O43252	PAPS1_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Approved; Investigational	Sugar alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation"	OCC(O)CO					7104	347827856	D00028	PA449783			Glycerol	CHEMBL692	4910
DB09462	Glycerin	BE0002517	TRDMT1	O14717	TRDMT_HUMAN				Approved; Investigational	Sugar alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Cryoprotective Agents; Sugar Alcohols; Irrigating Solutions; Carbohydrates; Basic Ointments and Protectants; Protective Agents; Cytochrome P-450 CYP2E1 Inducers; Increased IgG Production; Increased Histamine Release; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cell-mediated Immunity; Osmotic Laxatives; Other Cold and Cough Preparations; Alcohols; Non-Standardized Chemical Allergen; Alimentary Tract and Metabolism; Other Diagnostics; Compounds used in a research, industrial, or household setting; Enemas; Laxatives; Triose Sugar Alcohols; Solvents; Drugs for Constipation"	OCC(O)CO					7104	347827856	D00028	PA449783			Glycerol	CHEMBL692	4910
DB09472	Sodium sulfate	BE0000267	CA1	P00915	CAH1_HUMAN	inhibitor			Approved; Vet_approved	Alkali metal sulfates	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal oxoanionic compounds; Alkali metal sulfates	Anions; Electrolytes; Ions; Osmotic Laxatives; Mineral Supplements; Sodium; Laxatives; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Sulfur Acids; Sulfuric Acids; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation	[Na+].[Na+].[O-]S([O-])(=O)=O					9735	347827857	D01732				Sodium_sulfate	CHEMBL233406	1299926
DB09477	Enalaprilat	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor			Approved	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Enzyme Inhibitors; Agents causing angioedema; Antihypertensive Agents; Amino Acids, Peptides, and Proteins; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Agents causing hyperkalemia; Photosensitizing Agents; Angiotensin-Converting Enzyme Inhibitors; Drugs that are Mainly Renally Excreted; Decreased Blood Pressure; Oligopeptides; Drugs causing inadvertant photosensitivity; Peptides; Dipeptides"	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O					1776	347827859	D03769				Enalaprilat	CHEMBL577	3829
DB09488	Acrivastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist			Approved	Styrenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Styrenes	"Potential QTc-Prolonging Agents; QTc Prolonging Agents; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Histamine Agents; Antihistamines for Systemic Use; Drugs that are Mainly Renally Excreted; Pyridines"	[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O		Acrivastine H1-Antihistamine Action	drug_action			310265225	D02760				Acrivastine	CHEMBL1224	19959
DB09526	Hydroquinone	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor	27519292	"Patil S, Sistla S, Jadhav J: Interaction of small molecules with human tyrosinase: A surface plasmon resonance and molecular docking study. Int J Biol Macromol. 2016 Aug 9;92:1123-1129. doi: 10.1016/j.ijbiomac.2016.07.043."	Approved; Investigational	Hydroquinones	Organic compounds; Benzenoids; Phenols; Benzenediols	"Mutagens; Antioxidants; Radiation-Protective Agents; Biological Factors; Melanin Synthesis Inhibitor; Phenols; Melanin Synthesis Inhibitors; Protective Agents; Noxae; Dermatologicals; Toxic Actions; Benzene Derivatives; Depigmenting Agents; Compounds used in a research, industrial, or household setting"	OC1=CC=C(O)C=C1					4439	310265227	D00073	PA449924			Hydroquinone	CHEMBL537	5509
DB09532	Secretin human	BE0000318	SCTR	P47872	SCTR_HUMAN	ligand	21542831; 16192632	"Miller LJ, Dong M, Harikumar KG: Ligand binding and activation of the secretin receptor, a prototypic family B G protein-coupled receptor. Br J Pharmacol. 2012 May;166(1):18-26. doi: 10.1111/j.1476-5381.2011.01463.x.@@Korner M, Hayes GM, Rehmann R, Zimmermann A, Friess H, Miller LJ, Reubi JC: Secretin receptors in normal and diseased human pancreas: marked reduction of receptor binding in ductal neoplasia. Am J Pathol. 2005 Oct;167(4):959-68. doi: 10.1016/S0002-9440(10)61186-8."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Diagnostic Agents; Peptide Hormones; Nerve Tissue Proteins; Neuropeptides; Peptides; Secretin-class Hormone; Proteins; Tests for Pancreatic Function; Secretin; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						2067	347827873						CHEMBL3039582	606396
DB09535	Octocrylene	BE0000123	ESR1	P03372	ESR1_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Approved; Investigational			"Acids, Acyclic; Sunscreen Agents"	CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1					2280	347910458					Octocrylene	CHEMBL1201147	77674
DB09535	Octocrylene	BE0000792	ESR2	Q92731	ESR2_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Approved; Investigational			"Acids, Acyclic; Sunscreen Agents"	CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1					2280	347910458					Octocrylene	CHEMBL1201147	77674
DB09536	Titanium dioxide	BE0009001	MARCO	Q9UEW3	MARCO_HUMAN		18836211	"Thakur SA, Hamilton R Jr, Pikkarainen T, Holian A: Differential binding of inorganic particles to MARCO. Toxicol Sci. 2009 Jan;107(1):238-46. doi: 10.1093/toxsci/kfn210. Epub 2008 Oct 4."	Approved	Transition metal oxides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal organides; Transition metal oxides	"Water Pollutants, Chemical; Coloring Agents; Radiation-Protective Agents; Metals; Transition Elements; Elements; Photosensitizing Agents; Protective Agents; Sunscreen Agents; Dermatologicals; Radiation-Sensitizing Agents; Biocompatible Materials; Cosmetics; Astringents and Deodorants; Metals, Light; Compounds used in a research, industrial, or household setting"	O=[Ti]=O					727	347827875					Titanium_dioxide		38323
DB09552	Thonzonium	BE0004525	ATP6V1C1	P21283	VATC1_HUMAN	inhibitor	22215674	"Chan CY, Prudom C, Raines SM, Charkhzarrin S, Melman SD, De Haro LP, Allen C, Lee SA, Sklar LA, Parra KJ: Inhibitors of V-ATPase proton transport reveal uncoupling functions of tether linking cytosolic and membrane domains of V0 subunit a (Vph1p). J Biol Chem. 2012 Mar 23;287(13):10236-50. doi: 10.1074/jbc.M111.321133. Epub 2012 Jan 3."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Nitrogen Compounds; Onium Compounds; Amines; Ammonium Compounds; Surface-Active Agents	CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1						347827878					Thonzonium_bromide	CHEMBL1201322	237058
DB09555	Dexchlorpheniramine maleate	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist			Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Pyridines; OCT1 substrates; Stereoisomerism; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Histamine Antagonists; Cytochrome P-450 CYP2D6 Substrates; Agents that reduce seizure threshold; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Neurotransmitter Agents; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Histamine Agents	OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1					6585	347827879					Dexchlorpheniramine	CHEMBL1200927	54828
DB09559	Necitumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	20197484	"Kuenen B, Witteveen PO, Ruijter R, Giaccone G, Dontabhaktuni A, Fox F, Katz T, Youssoufian H, Zhu J, Rowinsky EK, Voest EE: A phase I pharmacologic study of necitumumab (IMC-11F8), a fully human IgG1 monoclonal antibody directed against EGFR in patients with advanced solid malignancies. Clin Cancer Res. 2010 Mar 15;16(6):1915-23. doi: 10.1158/1078-0432.CCR-09-2425. Epub 2010 Mar 2."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins"						22862	347910462	D10018				Necitumumab		1723738
DB09564	Insulin degludec	BE0000033	INSR	P06213	INSR_HUMAN	agonist	27512793	De Meyts P: The Insulin Receptor and Its Signal Transduction Network .	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Long-acting Insulins; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						22892	347910463	D09727				Insulin_degludec	CHEMBL2107869	1670007
DB09564	Insulin degludec	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22826637; 22420005	"Wang F, Surh J, Kaur M: Insulin degludec as an ultralong-acting basal insulin once a day: a systematic review. Diabetes Metab Syndr Obes. 2012;5:191-204. doi: 10.2147/DMSO.S21979. Epub 2012 Jul 5.@@Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Used in Diabetes; Insulin Analog; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Long-acting Insulins; Peptide Hormones; Insulin, Long-Acting; Cytochrome P-450 CYP1A2 Inducers; Peptides; Pancreatic Hormones; Insulin; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Alimentary Tract and Metabolism; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						22892	347910463	D09727				Insulin_degludec	CHEMBL2107869	1670007
DB09568	Omega-3-carboxylic acids	BE0000317	HSD17B10	Q99714	HCD2_HUMAN	potentiator	25387209	Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828.	Approved; Investigational			"Fatty Acids, Omega-3"							347910465							1652071
DB09568	Omega-3-carboxylic acids	BE0004500	ECHS1	P30084	ECHM_HUMAN	potentiator	25387209	Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828.	Approved; Investigational			"Fatty Acids, Omega-3"							347910465							1652071
DB09568	Omega-3-carboxylic acids	BE0000377	HADH	Q16836	HCDH_HUMAN	potentiator	25387209	Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828.	Approved; Investigational			"Fatty Acids, Omega-3"							347910465							1652071
DB09568	Omega-3-carboxylic acids	BE0002247	ELOVL4	Q9GZR5	ELOV4_HUMAN	potentiator	25387209	Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828.	Approved; Investigational			"Fatty Acids, Omega-3"							347910465							1652071
DB09568	Omega-3-carboxylic acids	BE0000239	LPL	P06858	LIPL_HUMAN	stimulator	25387209	Weintraub HS: Overview of prescription omega-3 fatty acid products for hypertriglyceridemia. Postgrad Med. 2014 Nov;126(7):7-18. doi: 10.3810/pgm.2014.11.2828.	Approved; Investigational			"Fatty Acids, Omega-3"							347910465							1652071
DB10770	Foreskin fibroblast (neonatal)	BE0000029	FLT1	P17948	VGFR1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0000565	IL1R1	P14778	IL1R1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0001861	TGFBR2	P37173	TGFR2_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0000689	FGF1	P05230	FGF1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0000748	FGFR2	P21802	FGFR2_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0000628	CSF2RA	P15509	CSF2R_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10770	Foreskin fibroblast (neonatal)	BE0000984	TGFB1	P01137	TGFB1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427137
DB10772	Foreskin keratinocyte (neonatal)	BE0000689	FGF1	P05230	FGF1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0000767	EGFR	P00533	EGFR_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0000628	CSF2RA	P15509	CSF2R_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0001861	TGFBR2	P37173	TGFR2_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0000984	TGFB1	P01137	TGFB1_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB10772	Foreskin keratinocyte (neonatal)	BE0000748	FGFR2	P21802	FGFR2_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB11059	Carboxymethylcellulose	BE0001057	SLC2A1	P11166	GTR1_HUMAN	binder	17389485	"Garrett Q, Simmons PA, Xu S, Vehige J, Zhao Z, Ehrmann K, Willcox M: Carboxymethylcellulose binds to human corneal epithelial cells and is a modulator of corneal epithelial wound healing. Invest Ophthalmol Vis Sci. 2007 Apr;48(4):1559-67. doi: 10.1167/iovs.06-0848."	Approved; Investigational			"Anorexigenic Agents & Respiratory and CNS Stimulants; Carboxymethylcellulose Sodium; Laxatives; Carbohydrates; Polysaccharides; Compounds used in a research, industrial, or household setting; Glucans; Cellulose; Bulk-Forming Laxatives; Gastrointestinal Agents; EENT Drugs, Miscellaneous; Artificial Tears"						13453	347911098					Carboxymethyl_cellulose	CHEMBL1909054	2062
DB11064	Homosalate	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist	15537743	"Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10."	Approved; Investigational	o-Hydroxybenzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Radiation-Protective Agents; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Sunscreen Agents; Protective Agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting"	CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1					1970	347911103					Homosalate	CHEMBL1377575	91326
DB11064	Homosalate	BE0000123	ESR1	P03372	ESR1_HUMAN		24004914	"Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8."	Approved; Investigational	o-Hydroxybenzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Radiation-Protective Agents; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Sunscreen Agents; Protective Agents; Dermatologicals; Hydroxybenzoates; Benzene Derivatives; Cosmetics; Compounds used in a research, industrial, or household setting"	CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1					1970	347911103					Homosalate	CHEMBL1377575	91326
DB11077	Polyethylene glycol 400	BE0000457	ENPP1	P22413	ENPP1_HUMAN	other			Approved			"P-glycoprotein inhibitors; Artificial Tears; Glycols; Polymers; Alcohols; Macromolecular Substances; Drugs that are Mainly Renally Excreted; Ethylene Glycols; Pegylated agents; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting"						234	347911107							8514
DB11081	Aluminum chloride	BE0000180	GLUD1	P00367	DHE3_HUMAN	inactivator	14625697	"Yang SJ, Huh JW, Lee JE, Choi SY, Kim TU, Cho SW: Inactivation of human glutamate dehydrogenase by aluminum. Cell Mol Life Sci. 2003 Nov;60(11):2538-46."	Approved; Investigational	Post-transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal salts; Post-transition metal chlorides	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Dental Agents; Metal divalent cations; Antiperspirants; Chlorides; Chlorine Compounds; Dermatologicals; Cosmetics; Metal cations; Astringents and Deodorants; Aluminium Compounds; Compounds used in a research, industrial, or household setting"	Cl[Al](Cl)Cl					5821	347827889					Aluminium_chloride	CHEMBL3833401	46241
DB11085	Resorcinol	BE0000507	TPO	P07202	PERT_HUMAN		24383450	"Paul KB, Hedge JM, Rotroff DM, Hornung MW, Crofton KM, Simmons SO: Development of a thyroperoxidase inhibition assay for high-throughput screening. Chem Res Toxicol. 2014 Mar 17;27(3):387-99. doi: 10.1021/tx400310w. Epub 2014 Jan 14."	Approved	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Anti-Acne Preparations; Anti-Acne Preparations for Topical Use; Anti-Infective Agents; Ophthalmologicals; Phenols; Benzene Derivatives; Dermatologicals; Drugs that are Mainly Renally Excreted; Anti-Infective Agents, Local; Sensory Organs; Root Canal Filling Materials"	OC1=CC(O)=CC=C1					8689	347827890	D00133				Resorcinol	CHEMBL24147	35382
DB11087	Pyrethrum extract	BE0000956	NR1I2	O75469	NR1I2_HUMAN		21115097	"Kojima H, Sata F, Takeuchi S, Sueyoshi T, Nagai T: Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology. 2011 Feb 27;280(3):77-87. doi: 10.1016/j.tox.2010.11.008. Epub 2010 Nov 27."	Approved			"Cyclopentane Monoterpenes; Pesticides; Agrochemicals; Pyrethrins; Toxic Actions; Terpenes; Monoterpenes; Insecticides; Compounds used in a research, industrial, or household setting"						4492	347911110							1232405
DB11093	Calcium citrate	BE0000509	CASR	P41180	CASR_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0005812	PDCD6	O75340	PDCD6_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0002145	SPARC	P09486	SPRC_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008694	FBN2	P35556	FBN2_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008695	CASQ2	O14958	CASQ2_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008696	PEF1	Q9UBV8	PEF1_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008702	FBN3	Q75N90	FBN3_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008703	GCA	P28676	GRAN_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008704	CADPS	Q9ULU8	CAPS1_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008706	CALM3	P0DP25	CALM3_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0005274	NRXN1	Q9ULB1	NRX1A_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11093	Calcium citrate	BE0004557	NCS1	P62166	NCS1_HUMAN	ligand			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11094	Vitamin D	BE0000779	VDR	P11473	VDR_HUMAN		21917910	"Choi M, Yamada S, Makishima M: Dynamic and ligand-selective interactions of vitamin D receptor with retinoid X receptor and cofactors in living cells. Mol Pharmacol. 2011 Dec;80(6):1147-55. doi: 10.1124/mol.111.074138. Epub 2011 Sep 14."	Approved; Nutraceutical; Vet_approved			"Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Diet, Food, and Nutrition; Vitamin D and Analogues; Bone Density Conservation Agents; Cytochrome P-450 CYP3A Substrates; Food; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Micronutrients"						703	347911113					Vitamin_D		11253
DB11094	Vitamin D	BE0001141	GC	P02774	VTDB_HUMAN		8370586	"Arnaud J, Constans J: Affinity differences for vitamin D metabolites associated with the genetic isoforms of the human serum carrier protein (DBP). Hum Genet. 1993 Sep;92(2):183-8."	Approved; Nutraceutical; Vet_approved			"Fused-Ring Compounds; Physiological Phenomena; Secosteroids; Vitamins; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Diet, Food, and Nutrition; Vitamin D and Analogues; Bone Density Conservation Agents; Cytochrome P-450 CYP3A Substrates; Food; Cytochrome P-450 CYP3A4 Substrates; Steroids; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Micronutrients"						703	347911113					Vitamin_D		11253
DB11113	Castor oil	BE0002375	PTGER3	P43115	PE2R3_HUMAN	agonist	22615395	"Tunaru S, Althoff TF, Nusing RM, Diener M, Offermanns S: Castor oil induces laxation and uterus contraction via ricinoleic acid activating prostaglandin EP3 receptors. Proc Natl Acad Sci U S A. 2012 Jun 5;109(23):9179-84. doi: 10.1073/pnas.1201627109. Epub 2012 May 21."	Approved; Investigational; Nutraceutical; Vet_approved			"Plant Oils; Biological Products; Contact Laxatives; Plant Preparations; Complex Mixtures; Laxatives; Oils; Fats, Unsaturated; Lipids; Fats; Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation"						7038	347911121					Castor_oil		2129
DB11120	Turpentine	BE0000923	MAPK1	P28482	MK01_HUMAN				Approved; Experimental			"Biological Products; Complex Mixtures; Resins, Plant; Oils; Lipids; Oils, Volatile; Plant Exudates; Compounds used in a research, industrial, or household setting; Toxic Actions; Noxae; Solvents; Irritants"						3510	347911126					Turpentine		10938
DB11124	Racepinephrine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	agonist			Approved			Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; Amino Alcohols; Cardiovascular Agents; Phenols; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Adrenergic Agonists; Mydriatics; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents						8926	347911128					Epinephrine_(medication)		66887
DB11124	Racepinephrine	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	agonist			Approved			Adrenergic beta-Agonists; Amines; Adrenergic alpha-Agonists; Anti-Asthmatic Agents; Biogenic Amines; Adrenergic alpha-2 Receptor Agonists; Agents producing tachycardia; Benzene Derivatives; Catecholamines; Autonomic Agents; Epinephrine and similars; Amino Alcohols; Cardiovascular Agents; Phenols; Alcohols; Vasoconstrictor Agents; Bronchodilator Agents; Adrenergic Agonists; Mydriatics; Sympathomimetics; Agents that produce hypertension; Respiratory System Agents; Peripheral Nervous System Agents; Adrenergic alpha-1 Receptor Agonists; Alpha-and Beta-adrenergic Agonists; Catechols; Adrenergic beta-3 Receptor Agonists; Biogenic Monoamines; Neurotransmitter Agents; Adrenergic beta-2 Receptor Agonists; Ethanolamines; Adrenergic beta-1 Receptor Agonists; Adrenergic Agents						8926	347911128					Epinephrine_(medication)		66887
DB11130	Opium	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist			Approved; Illicit			"Sensory System Agents; Narcotics; Cytochrome P-450 CYP3A Substrates; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Gastrointestinal Agents; Antipropulsives; Natural Opium Alkaloids; Central Nervous System Depressants; Cytochrome P-450 Substrates; Antidiarrheals; Drugs that are Mainly Renally Excreted; Alimentary Tract and Metabolism; Plant Preparations; Antitussive Agents; Cytochrome P-450 CYP2D6 Substrates; Antidiarrheals, Intestinal Antiinflammatory/antiinfective Agents; Complex Mixtures; Opiate Agonists; Opioid Agonist; Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Biological Products; Plant Extracts; Central Nervous System Agents; Nervous System; Opioids"						6897	347911129					Opium		7676
DB11131	Capsicum oleoresin	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	22849599	"Groninger H, Schisler RE: Topical capsaicin for neuropathic pain #255. J Palliat Med. 2012 Aug;15(8):946-7. doi: 10.1089/jpm.2012.9571."	Approved			Plant Preparations; Biological Products; Pharmaceutical Preparations; Complex Mixtures						3611	347911130					Pepper_spray		235787
DB11132	Silicon dioxide	BE0009001	MARCO	Q9UEW3	MARCO_HUMAN		18836211	"Thakur SA, Hamilton R Jr, Pikkarainen T, Holian A: Differential binding of inorganic particles to MARCO. Toxicol Sci. 2009 Jan;107(1):238-46. doi: 10.1093/toxsci/kfn210. Epub 2008 Oct 4."	Approved			"Minerals; Oxides; Hygroscopic Agents; Colloids; Oxygen Compounds; Complex Mixtures; Pharmaceutical Preparations; Silicon Compounds; Compounds used in a research, industrial, or household setting"	O=[Si]=O					251	347827911					Silicon_dioxide	CHEMBL3188292	314826
DB11133	Omega-3 fatty acids	BE0000215	PPARG	P37231	PPARG_HUMAN	ligand	21382489; 18769551	"Varga T, Czimmerer Z, Nagy L: PPARs are a unique set of fatty acid regulated transcription factors controlling both lipid metabolism and inflammation. Biochim Biophys Acta. 2011 Aug;1812(8):1007-22. doi: 10.1016/j.bbadis.2011.02.014. Epub 2011 Mar 5.@@Edwards IJ, O'Flaherty JT: Omega-3 Fatty Acids and PPARgamma in Cancer. PPAR Res. 2008;2008:358052. doi: 10.1155/2008/358052."	Approved; Nutraceutical			"Phospholipids; Fish Oils; Oils; Liver Therapy, Lipotropics; Lipids; Alimentary Tract and Metabolism; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Liver Therapy; Fatty Acids, Unsaturated; Fats; Bile and Liver Therapy; Dietary Fats; Membrane Lipids"							347911131					Omega-3_fatty_acid		4301
DB11133	Omega-3 fatty acids	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	19585164; 24986106	"Rudkowska I, Garenc C, Couture P, Vohl MC: Omega-3 fatty acids regulate gene expression levels differently in subjects carrying the PPARalpha L162V polymorphism. Genes Nutr. 2009 Sep;4(3):199-205. doi: 10.1007/s12263-009-0129-2. Epub 2009 Jul  8.@@Liu M, Montgomery MK, Fiveash CE, Osborne B, Cooney GJ, Bell-Anderson K, Turner N: PPARalpha-independent actions of omega-3 PUFAs contribute to their beneficial effects on adiposity and glucose homeostasis. Sci Rep. 2014 Jul 2;4:5538. doi: 10.1038/srep05538."	Approved; Nutraceutical			"Phospholipids; Fish Oils; Oils; Liver Therapy, Lipotropics; Lipids; Alimentary Tract and Metabolism; Fatty Acids, Omega-3; Fatty Acids; Dietary Fats, Unsaturated; Liver Therapy; Fatty Acids, Unsaturated; Fats; Bile and Liver Therapy; Dietary Fats; Membrane Lipids"							347911131					Omega-3_fatty_acid		4301
DB11136	Chromium	BE0001173	CYB5A	P00167	CYB5_HUMAN	substrate	11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Approved	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Cell-mediated Immunity; Metals; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Drugs that are Mainly Renally Excreted; Standardized Chemical Allergen; Trace Elements; Metals, Heavy; Increased Histamine Release; Micronutrients"	[Cr]					2001	347827914					Chromium		2496
DB11148	Butamben	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	inhibitor	15920194; 16368819	"Beekwilder JP, Winkelman DL, van Kempen GT, van den Berg RJ, Ypey DL: The block of total and N-type calcium conductance in mouse sensory neurons by the local anesthetic n-butyl-p-aminobenzoate. Anesth Analg. 2005 Jun;100(6):1674-9. doi: 10.1213/01.ANE.0000151162.07211.DD.@@Beekwilder JP, van Kempen GT, van den Berg RJ, Ypey DL: The local anesthetic butamben inhibits and accelerates low-voltage activated T-type currents in small sensory neurons. Anesth Analg. 2006 Jan;102(1):141-5."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCCCOC(=O)C1=CC=C(N)C=C1					5954	347827919					Butamben	CHEMBL127516	19861
DB11148	Butamben	BE0001122	TRPA1	O75762	TRPA1_HUMAN	inhibitor	22133806	"Bang S, Yang TJ, Yoo S, Heo TH, Hwang SW: Inhibition of sensory neuronal TRPs contributes to anti-nociception by butamben. Neurosci Lett. 2012 Jan 11;506(2):297-302. doi: 10.1016/j.neulet.2011.11.026. Epub 2011 Nov 23."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCCCOC(=O)C1=CC=C(N)C=C1					5954	347827919					Butamben	CHEMBL127516	19861
DB11148	Butamben	BE0009159	TRPV4	Q9HBA0	TRPV4_HUMAN	inhibitor	22133806; 15923341	"Bang S, Yang TJ, Yoo S, Heo TH, Hwang SW: Inhibition of sensory neuronal TRPs contributes to anti-nociception by butamben. Neurosci Lett. 2012 Jan 11;506(2):297-302. doi: 10.1016/j.neulet.2011.11.026. Epub 2011 Nov 23.@@Winkelman DL, Beck CL, Ypey DL, O'Leary ME: Inhibition of the A-type K+ channels of dorsal root ganglion neurons by the long-duration anesthetic butamben. J Pharmacol Exp Ther. 2005 Sep;314(3):1177-86. doi: 10.1124/jpet.105.087759. Epub 2005 May 27."	Approved; Withdrawn	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Sensory System Agents; Anesthetics, Local; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Cholinesterase substrates; Anesthetics; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Peripheral Nervous System Agents; para-Aminobenzoates; Aminobenzoates"	CCCCOC(=O)C1=CC=C(N)C=C1					5954	347827919					Butamben	CHEMBL127516	19861
DB11156	Pyrantel	BE0005562	GPR35	Q9HC97	GPR35_HUMAN		20826425	"Zhao P, Sharir H, Kapur A, Cowan A, Geller EB, Adler MW, Seltzman HH, Reggio PH, Heynen-Genel S, Sauer M, Chung TD, Bai Y, Chen W, Caron MG, Barak LS, Abood ME: Targeting of the orphan receptor GPR35 by pamoic acid: a potent activator of extracellular signal-regulated kinase and beta-arrestin2 with antinociceptive activity. Mol Pharmacol. 2010 Oct;78(4):560-8. doi: 10.1124/mol.110.066746. Epub 2010 Jul 22."	Approved; Vet_approved	Hydropyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Anti-Infective Agents; Neuromuscular Agents; Central Nervous System Depressants; Antiparasitic Products, Insecticides and Repellents; Thiophenes; Pyrimidines; Sulfur Compounds; Neuromuscular Depolarizing Agents; Drugs that are Mainly Renally Excreted; Anthelmintics; Antinematodal Agents; Peripheral Nervous System Agents; Neuromuscular Blocking Agents; Antiparasitic Agents; Tetrahydropyrimidine Derivatives"	[H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1					4002	347827925	D08451				Pyrantel	CHEMBL1626223	8984
DB11157	Anthralin	BE0004660	KRT12	Q99456	K1C12_HUMAN	antagonist			Approved	Anthracenes	Organic compounds; Benzenoids; Anthracenes	Antipsoriatics for Topical Use; Antracen Derivatives; Anthracenes; Dermatologicals; Antipsoriatics	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2					9362	347827926					Dithranol	CHEMBL46469	873
DB11181	Homatropine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	8467326	"Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21."	Approved			Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C					8954	347911146					Homatropine	CHEMBL1618018	27084
DB11181	Homatropine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	8467326	"Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21."	Approved			Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C					8954	347911146					Homatropine	CHEMBL1618018	27084
DB11181	Homatropine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	8467326	"Sim MK, Manjeet S: Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21."	Approved			Aza Compounds; Anticholinergic Agents; Muscarinic Antagonists; Mydriatics and Cycloplegics; Ophthalmologicals; Sensory Organs; Alkaloids; Peripheral Nervous System Agents; Azabicyclo Compounds; Autonomic Agents; Parasympatholytics	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C					8954	347911146					Homatropine	CHEMBL1618018	27084
DB11186	Pentoxyverine	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	inhibitor	23872380	"Leung YM, Tzeng JI, Kuo CS, Chen YW, Chu CC, Wang JJ: The use of carbetapentane for spinal anesthesia and use-dependent block of sodium currents. Eur J Pharmacol. 2013 Aug 15;714(1-3):366-72. doi: 10.1016/j.ejphar.2013.07.013.  Epub 2013 Jul 16."	Approved; Investigational; Withdrawn	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Antitussive Agents; Cycloparaffins; Central Nervous System Agents; Cough and Cold Preparations; Respiratory System Agents	CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1					6009	347827938					Pentoxyverine	CHEMBL73234	20217
DB11186	Pentoxyverine	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	8872359	"Kobayashi T, Ikeda K, Ichikawa T, Togashi S, Kumanishi T: Effects of sigma ligands on the cloned mu-, delta- and kappa-opioid receptors co-expressed with G-protein-activated K+ (GIRK) channel in Xenopus oocytes. Br J Pharmacol. 1996 Sep;119(1):73-80."	Approved; Investigational; Withdrawn	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	Antitussive Agents; Cycloparaffins; Central Nervous System Agents; Cough and Cold Preparations; Respiratory System Agents	CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1					6009	347827938					Pentoxyverine	CHEMBL73234	20217
DB11217	Arbutin	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor	8632348; 9711535; 32010471; 31001339; 33224228	"Maeda K, Fukuda M: Arbutin: mechanism of its depigmenting action in human melanocyte culture. J Pharmacol Exp Ther. 1996 Feb;276(2):765-9.@@Chakraborty AK, Funasaka Y, Komoto M, Ichihashi M: Effect of arbutin on melanogenic proteins in human melanocytes. Pigment Cell Res. 1998 Aug;11(4):206-12.@@Im KH, Baek SA, Choi J, Lee TS: Antioxidant, Anti-Melanogenic and Anti-Wrinkle Effects of Phellinus vaninii. Mycobiology. 2019 Oct 15;47(4):494-505. doi: 10.1080/12298093.2019.1673595. eCollection 2019.@@Lu H, Yang K, Zhan L, Lu T, Chen X, Cai X, Zhou C, Li H, Qian L, Lv G, Chen S: Optimization of Flavonoid Extraction in Dendrobium officinale Leaves and Their Inhibitory Effects on Tyrosinase Activity. Int J Anal Chem. 2019 Mar 13;2019:7849198. doi: 10.1155/2019/7849198. eCollection 2019.@@Ghaffarzadeh J, Nasuhi Pur F: Calixarbutin: A Novel Calixarene-based Potential Water-soluble Anti-tyrosinase Agent with High Anti-melanoma Activity. Iran J Pharm Res. 2020 Spring;19(2):236-241. doi: 10.22037/ijpr.2020.112506.13798."	Approved	Phenolic glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Glucosides; Carbohydrates; Glycosides	OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O					532	347827943					Arbutin	CHEMBL232202	1367175
DB11219	Enzacamene	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist	15537743	"Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B: Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci. 2005 Feb;83(2):264-72. Epub 2004 Nov 10."	Approved			Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes	CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1					20039	347827944					Enzacamene	CHEMBL2104261	1311507
DB11219	Enzacamene	BE0000792	ESR2	Q92731	ESR2_HUMAN		16079615	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52."	Approved			Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes	CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1					20039	347827944					Enzacamene	CHEMBL2104261	1311507
DB11219	Enzacamene	BE0000123	ESR1	P03372	ESR1_HUMAN		16079615; 24004914	"Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52.@@Jimenez-Diaz I, Molina-Molina JM, Zafra-Gomez A, Ballesteros O, Navalon A, Real M, Saenz JM, Fernandez MF, Olea N: Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Oct 1;936:80-7. doi: 10.1016/j.jchromb.2013.08.006. Epub 2013 Aug 8."	Approved			Norbornanes; Bornanes; Ketones; Bicyclic Monoterpenes; Sunscreen Agents; Bridged-Ring Compounds; Monoterpenes; Terpenes	CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1					20039	347827944					Enzacamene	CHEMBL2104261	1311507
DB11235	Thonzylamine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	18858080; 18888474	"SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations"	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1		Thonzylamine H1-Antihistamine Action	drug_action			347827947					Thonzylamine	CHEMBL1623738	1360721
DB11235	Thonzylamine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	18858080; 18888474	"SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations"	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1		Thonzylamine H1-Antihistamine Action	drug_action			347827947					Thonzylamine	CHEMBL1623738	1360721
DB11235	Thonzylamine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	18858080; 18888474	"SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations"	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1		Thonzylamine H1-Antihistamine Action	drug_action			347827947					Thonzylamine	CHEMBL1623738	1360721
DB11235	Thonzylamine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	18858080; 18888474	"SCUDI JV, REINHARD JF, DREYER NB: Pharmacologic characteristics of neohetramine, a new antihistaminic drug. J Allergy. 1948 May;19(3):184-99.@@AARON TH, CRIEP LH: Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov;59(5):438-41."	Approved	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	"Anticholinergic Agents; Muscarinic Antagonists; Antiallergic Agents, Excl. Corticosteroids; Histamine Antagonists; Neurotransmitter Agents; Histamine H1 Antagonists; Antihistamines for Systemic Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Agents producing tachycardia; Antihistamines for Topical Use; Dermatologicals; Histamine Agents; Substituted Ethylene Diamines; Nasal Preparations"	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1		Thonzylamine H1-Antihistamine Action	drug_action			347827947					Thonzylamine	CHEMBL1623738	1360721
DB11254	Hexylresorcinol	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor			Approved	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Anti-Infective Agents; Anthelmintics; Throat Preparations; Phenols; Benzene Derivatives; Anti-Infective Agents, Local; Resorcinols; Antiparasitic Agents; Miscellaneous Anti-infectives"	CCCCCCC1=C(O)C=C(O)C=C1					700	347827952					Hexylresorcinol	CHEMBL443605	5321
DB11254	Hexylresorcinol	BE0001035	TGM2	P21980	TGM2_HUMAN	inhibitor			Approved	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Anti-Infective Agents; Anthelmintics; Throat Preparations; Phenols; Benzene Derivatives; Anti-Infective Agents, Local; Resorcinols; Antiparasitic Agents; Miscellaneous Anti-infectives"	CCCCCCC1=C(O)C=C(O)C=C1					700	347827952					Hexylresorcinol	CHEMBL443605	5321
DB11254	Hexylresorcinol	BE0000252	TYR	P14679	TYRO_HUMAN	inhibitor			Approved	Resorcinols	Organic compounds; Benzenoids; Phenols; Benzenediols	"Anti-Infective Agents; Anthelmintics; Throat Preparations; Phenols; Benzene Derivatives; Anti-Infective Agents, Local; Resorcinols; Antiparasitic Agents; Miscellaneous Anti-infectives"	CCCCCCC1=C(O)C=C(O)C=C1					700	347827952					Hexylresorcinol	CHEMBL443605	5321
DB11273	Dihydroergocornine	BE0004862	HTR1A	P34969	5HT7R_HUMAN	antagonist	7063048	Muller-Schweinitzer E: Actions of co-dergocrine mesylate and its components at vascular smooth muscle. Naunyn Schmiedebergs Arch Pharmacol. 1982 Feb;318(3):225-33.	Approved	Ergopeptines	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Ergotamines; Neurotransmitter Agents; Cytochrome P-450 CYP3A Substrates; Alkaloids; Dopamine Agents; Agents that produce hypertension; Ergot-derivative Dopamine Receptor Agonists; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; Dopamine Agonists"	[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C											Dihydroergocornine	CHEMBL2365712	3415
DB11274	Dihydro-alpha-ergocryptine	BE0000756	DRD2	P14416	DRD2_HUMAN	agonist	14523624	"Gerlach M, Double K, Arzberger T, Leblhuber F, Tatschner T, Riederer P: Dopamine receptor agonists in current clinical use: comparative dopamine receptor binding profiles defined in the human striatum. J Neural Transm (Vienna). 2003 Oct;110(10):1119-27. doi: 10.1007/s00702-003-0027-5."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C												CHEMBL1743263	91170
DB11274	Dihydro-alpha-ergocryptine	BE0000581	DRD3	P35462	DRD3_HUMAN	partial agonist	14523624	"Gerlach M, Double K, Arzberger T, Leblhuber F, Tatschner T, Riederer P: Dopamine receptor agonists in current clinical use: comparative dopamine receptor binding profiles defined in the human striatum. J Neural Transm (Vienna). 2003 Oct;110(10):1119-27. doi: 10.1007/s00702-003-0027-5."	Approved	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates	[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C												CHEMBL1743263	91170
DB11294	Coccidioides immitis spherule	BE0003482	HLA-A	P04439	1A03_HUMAN	binder	28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11294	Coccidioides immitis spherule	BE0003483	HLA-A	P04439	1A03_HUMAN		28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11294	Coccidioides immitis spherule	BE0004082	HLA-B	P01889	1B27_HUMAN		28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11300	Thrombin	BE0000004	F13A1	P00488	F13A_HUMAN	activator			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases"						9050	347911181					Thrombin		10528
DB11300	Thrombin	BE0000041	F5	P12259	FA5_HUMAN	activator	17635715	"Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases"						9050	347911181					Thrombin		10528
DB11300	Thrombin	BE0000016	F8	P00451	FA8_HUMAN	activator			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Factor Activity; Enzymes and Coenzymes; Protein Precursors; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Hydrolases; Coagulants; Local Hemostatics; Proteins; Enzymes; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Hemostatics; Serine Proteases; Peptide Hydrolases; Prothrombin, agonists; Hematologic Agents; Blood Proteins; Blood Coagulation Factors; Endopeptidases"						9050	347911181					Thrombin		10528
DB11311	Prothrombin	BE0000004	F13A1	P00488	F13A_HUMAN	agonist	25535411	"Palta S, Saroa R, Palta A: Overview of the coagulation system. Indian J Anaesth. 2014 Sep;58(5):515-23. doi: 10.4103/0019-5049.144643."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Prothrombin, agonists; Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						2931	347911184					Thrombin		1441689
DB11311	Prothrombin	BE0003407	CPB2	Q96IY4	CBPB2_HUMAN	agonist	25535411	"Palta S, Saroa R, Palta A: Overview of the coagulation system. Indian J Anaesth. 2014 Sep;58(5):515-23. doi: 10.4103/0019-5049.144643."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Prothrombin, agonists; Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						2931	347911184					Thrombin		1441689
DB11312	Protein C	BE0000041	F5	P12259	FA5_HUMAN	inactivator			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Enzymes and Coenzymes; Anticoagulants; Protein Precursors; Amino Acids, Peptides, and Proteins; Glycoproteins; Cardiovascular Agents; Proteins; Glycoconjugates; Enzymes; Biological Factors; Decreased Coagulation Factor Activity; Blood and Blood Forming Organs; Enzyme Precursors; Fibrinolytic Agents; Hematologic Agents; Blood Coagulation Factor Inhibitors; Blood Proteins; Fibrin Modulating Agents"						20131	347911185	D08796				Protein_C		723868
DB11312	Protein C	BE0000016	F8	P00451	FA8_HUMAN	inactivator			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Enzymes and Coenzymes; Anticoagulants; Protein Precursors; Amino Acids, Peptides, and Proteins; Glycoproteins; Cardiovascular Agents; Proteins; Glycoconjugates; Enzymes; Biological Factors; Decreased Coagulation Factor Activity; Blood and Blood Forming Organs; Enzyme Precursors; Fibrinolytic Agents; Hematologic Agents; Blood Coagulation Factor Inhibitors; Blood Proteins; Fibrin Modulating Agents"						20131	347911185	D08796				Protein_C		723868
DB11324	Nonivamide	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	21343315; 6202305; 23929722	"Thomas KC, Ethirajan M, Shahrokh K, Sun H, Lee J, Cheatham TE 3rd, Yost GS, Reilly CA: Structure-activity relationship of capsaicin analogs and transient receptor potential vanilloid 1-mediated human lung epithelial cell toxicity. J Pharmacol Exp Ther. 2011 May;337(2):400-10. doi: 10.1124/jpet.110.178491. Epub  2011 Feb 22.@@Skofitsch G, Donnerer J, Lembeck F: Comparison of nonivamide and capsaicin with regard to their pharmacokinetics and effects on sensory neurons. Arzneimittelforschung. 1984;34(2):154-6.@@Rohm B, Holik AK, Somoza MM, Pignitter M, Zaunschirm M, Ley JP, Krammer GE, Somoza V: Nonivamide, a capsaicin analog, increases dopamine and serotonin release in SH-SY5Y cells via a TRPV1-independent pathway. Mol Nutr Food Res. 2013 Nov;57(11):2008-18. doi: 10.1002/mnfr.201200846. Epub 2013 Aug 9."	Investigational	Methoxyphenols	Organic compounds; Benzenoids; Phenols; Methoxyphenols	"Sensory System Agents; Fatty Acids, Monounsaturated; Hydroxybenzoate Ethers; Polyunsaturated Alkamides; Nitric Oxide Synthase, antagonists & inhibitors; Amides; Hydroxybenzoates; Benzene Derivatives; Hydrocarbons, Acyclic; Alkenes; Benzoates; Hydroxy Acids; Phenols; Alkaloids; Solanaceous Alkaloids; Fatty Acids; Acids, Carbocyclic; Alkynes; Lipids; Peripheral Nervous System Agents; Phenyl Ethers; Catechols; Fatty Acids, Unsaturated"	CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1											Nonivamide	CHEMBL75124	31945
DB11328	Tetradecyl hydrogen sulfate (ester)	BE0001161	PROCR	Q9UNN8	EPCR_HUMAN	antagonist			Approved			Drugs that are Mainly Renally Excreted	CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O												CHEMBL1201345	1370424
DB11338	Clove oil	BE0000628	CSF2RA	P15509	CSF2R_HUMAN		28407719	"Han X, Parker TL: Anti-inflammatory activity of clove (Eugenia caryophyllata) essential oil in human dermal fibroblasts. Pharm Biol. 2017 Dec;55(1):1619-1622. doi: 10.1080/13880209.2017.1314513."	Approved; Nutraceutical			Plant Oils; Biological Products; Plant Preparations; Complex Mixtures; Oils; Drugs that are Mainly Renally Excreted						3557	347911190					Oil_of_clove	CHEMBL2108247	7624
DB11345	(S)-camphor	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	16192383	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005."	Experimental	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC1(C)[C@H]2CC[C@]1(C)C(=O)C2												CHEMBL2252949	1648124
DB11345	(S)-camphor	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN	agonist	16192383; 23625413	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005.@@Sherkheli MA, Vogt-Eisele AK, Weber K, Hatt H: Camphor modulates TRPV3 cation channels activity by interacting with critical pore-region cysteine residues. Pak J Pharm Sci. 2013 May;26(3):431-8."	Experimental	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC1(C)[C@H]2CC[C@]1(C)C(=O)C2												CHEMBL2252949	1648124
DB11345	(S)-camphor	BE0001122	TRPA1	O75762	TRPA1_HUMAN	inhibitor	16192383	"Xu H, Blair NT, Clapham DE: Camphor activates and strongly desensitizes the transient receptor potential vanilloid subtype 1 channel in a vanilloid-independent mechanism. J Neurosci. 2005 Sep 28;25(39):8924-37. doi: 10.1523/JNEUROSCI.2574-05.2005."	Experimental	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC1(C)[C@H]2CC[C@]1(C)C(=O)C2												CHEMBL2252949	1648124
DB11345	(S)-camphor	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN	activator	23828908	"Selescu T, Ciobanu AC, Dobre C, Reid G, Babes A: Camphor activates and sensitizes transient receptor potential melastatin 8 (TRPM8) to cooling and icilin. Chem Senses. 2013 Sep;38(7):563-75. doi: 10.1093/chemse/bjt027. Epub 2013 Jul 4."	Experimental	Bicyclic monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids		CC1(C)[C@H]2CC[C@]1(C)C(=O)C2												CHEMBL2252949	1648124
DB11348	Calcium Phosphate	BE0000509	CASR	P41180	CASR_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0005812	PDCD6	O75340	PDCD6_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0002145	SPARC	P09486	SPRC_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008694	FBN2	P35556	FBN2_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008695	CASQ2	O14958	CASQ2_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008696	PEF1	Q9UBV8	PEF1_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008702	FBN3	Q75N90	FBN3_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008703	GCA	P28676	GRAN_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008704	CADPS	Q9ULU8	CAPS1_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008706	CALM3	P0DP25	CALM3_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0005274	NRXN1	Q9ULB1	NRX1A_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11348	Calcium Phosphate	BE0004557	NCS1	P62166	NCS1_HUMAN	ligand			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11363	Alectinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor			Approved; Investigational	Carbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Narrow Therapeutic Index Drugs; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Indoles; Antineoplastic Agents; Protein Kinase Inhibitors"	CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O					22813	310265230	D10542	PA166160050			Alectinib	CHEMBL1738797	1727455
DB11397	Dichlorvos	BE0002180	BCHE	P06276	CHLE_HUMAN		20229498	"Tacal O, Lockridge O: Methamidophos, dichlorvos, O-methoate and diazinon pesticides used in Turkey make a covalent bond with butyrylcholinesterase detected by mass spectrometry. J Appl Toxicol. 2010 Jul;30(5):469-75. doi: 10.1002/jat.1518."	Vet_approved	Dialkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	"Potential QTc-Prolonging Agents; Anti-Infective Agents; Organophosphates; QTc Prolonging Agents; Enzyme Inhibitors; Organophosphorus Compounds; Cholinesterase Inhibitors; Neurotransmitter Agents; Pesticides; Agrochemicals; Toxic Actions; Cholinergic Agents; Anthelmintics; Antiparasitic Agents; Insecticides; Compounds used in a research, industrial, or household setting"	COP(=O)(OC)OC=C(Cl)Cl							D03791				Dichlorvos	CHEMBL167911	
DB11478	Zeranol	BE0000123	ESR1	P03372	ESR1_HUMAN		19913605	Dang Z: Comparison of relative binding affinities to fish and mammalian estrogen receptors: the regulatory implications. Toxicol Lett. 2010 Feb 15;192(3):298-315. doi: 10.1016/j.toxlet.2009.11.004. Epub 2009 Nov 12.	Experimental; Vet_approved	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	"Zearalenone; Phenols; Estrogens; Lactones; Benzene Derivatives; Estrogens, Non-Steroidal; Resorcinols; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1					2361		D06362				Zeranol	CHEMBL450613	1368476
DB11496	2-mercaptobenzothiazole	BE0000507	TPO	P07202	PERT_HUMAN	inhibitor	26865668	"Leonard JA, Tan YM, Gilbert M, Isaacs K, El-Masri H: Estimating Margin of Exposure to Thyroid Peroxidase Inhibitors Using High-Throughput in vitro Data, High-Throughput Exposure Modeling, and Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling. Toxicol Sci. 2016 May;151(1):57-70. doi: 10.1093/toxsci/kfw022. Epub 2016 Feb 10."	Approved; Experimental; Vet_approved	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Cell-mediated Immunity; Thiazoles; Sulfur Compounds; Standardized Chemical Allergen; Increased Histamine Release"	S=C1NC2=C(S1)C=CC=C2					16476						Mercaptobenzothiazole	CHEMBL111654	1358845
DB11541	Ractopamine	BE0000123	ESR1	P03372	ESR1_HUMAN		24928891	"McRobb FM, Kufareva I, Abagyan R: In silico identification and pharmacological evaluation of novel endocrine disrupting chemicals that act via the ligand-binding domain of the estrogen receptor alpha. Toxicol Sci. 2014 Sep;141(1):188-97. doi: 10.1093/toxsci/kfu114. Epub 2014 Jun 13."	Vet_approved	1-hydroxy-2-unsubstituted benzenoids	Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids	Adrenergic beta-Agonists; Adrenergic Agonists; Amines; Growth Substances; Neurotransmitter Agents; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Adrenergic Agents	CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1					1267						Ractopamine	CHEMBL509336	1311677
DB11560	Lesinurad	BE0000879	SLC22A11	Q9NSA0	S22AB_HUMAN	inhibitor			Approved; Investigational	"Phenyl-1,2,4-triazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles	"Urate Transporter 1 Inhibitor; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Urate Transporter 1 Inhibitors; Acetates; Musculo-Skeletal System; Acids, Acyclic; Cytochrome P-450 CYP3A4 Inducers (weak); Uricosuric Agents; Antigout Preparations; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Sulfur Compounds; Antirheumatic Agents; Sulfhydryl Compounds"	OC(=O)CSC1=NN=C(Br)N1C1=CC=C(C2CC2)C2=C1C=CC=C2						347827983	D09921	PA166160006			Lesinurad	CHEMBL2105720	1731031
DB11564	Insulin argine	BE0000033	INSR	P06213	INSR_HUMAN	agonist	27512793	De Meyts P: The Insulin Receptor and Its Signal Transduction Network .	Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents														1740938
DB11564	Insulin argine	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 31771180; 25905175	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents														1740938
DB11567	Insulin peglispro	BE0000033	INSR	P06213	INSR_HUMAN		27723227; 27512793	"Cusi K, Sanyal AJ, Zhang S, Hoogwerf BJ, Chang AM, Jacober SJ, Bue-Valleskey JM, Higdon AN, Bastyr EJ 3rd, Haupt A, Hartman ML: Different effects of basal insulin peglispro and insulin glargine on liver enzymes and liver fat content in patients with type 1 and type 2 diabetes. Diabetes Obes Metab. 2016 Oct;18 Suppl 2:50-58. doi: 10.1111/dom.12751.@@De Meyts P: The Insulin Receptor and Its Signal Transduction Network ."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Glycols; Alcohols; Macromolecular Substances; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Compounds used in a research, industrial, or household setting; Peptide Hormones; Polymers; Ethylene Glycols; Pegylated agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists"														
DB11567	Insulin peglispro	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 31771180; 25905175	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; Glycols; Alcohols; Macromolecular Substances; Hormones; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Pancreatic Hormones; Insulin; Compounds used in a research, industrial, or household setting; Peptide Hormones; Polymers; Ethylene Glycols; Pegylated agents; Insulin, Long-Acting; Hormones, Hormone Substitutes, and Hormone Antagonists"														
DB11568	Insulin tregopil	BE0000033	INSR	P06213	INSR_HUMAN	agonist	27512793	De Meyts P: The Insulin Receptor and Its Signal Transduction Network .	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents"														
DB11568	Insulin tregopil	BE0000858	IGF1R	P08069	IGF1R_HUMAN	activator	22420005; 31771180; 25905175	"Varewijck AJ, Janssen JA: Insulin and its analogues and their affinities for the IGF1 receptor. Endocr Relat Cancer. 2012 Sep 5;19(5):F63-75. doi: 10.1530/ERC-12-0026. Print 2012 Oct.@@Sarfstein R, Nagaraj K, LeRoith D, Werner H: Differential Effects of Insulin and IGF1 Receptors on ERK and AKT Subcellular Distribution in Breast Cancer Cells. Cells. 2019 Nov 23;8(12). pii: cells8121499. doi: 10.3390/cells8121499.@@Donner T, Sarkar S: Insulin - Pharmacology, Therapeutic Regimens, and Principles of Intensive Insulin Therapy ."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 Enzyme Inducers; Insulin, Short-Acting; Cytochrome P-450 CYP1A2 Inducers; Insulin; Blood Glucose Lowering Agents"														
DB11571	Human thrombin	BE0000041	F5	P12259	FA5_HUMAN	activator	17635715	"Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Blood Coagulation Factors; Increased Coagulation Factor Activity						11564	347911204							825006
DB11571	Human thrombin	BE0000016	F8	P00451	FA8_HUMAN	activator	17635715	"Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Blood Coagulation Factors; Increased Coagulation Factor Activity						11564	347911204							825006
DB11571	Human thrombin	BE0000004	F13A1	P00488	F13A_HUMAN	activator	17635715	"Crawley JT, Zanardelli S, Chion CK, Lane DA: The central role of thrombin in hemostasis. J Thromb Haemost. 2007 Jul;5 Suppl 1:95-101. doi: 10.1111/j.1538-7836.2007.02500.x."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Blood Coagulation Factors; Increased Coagulation Factor Activity						11564	347911204							825006
DB11572	Thrombin alfa	BE0000041	F5	P12259	FA5_HUMAN	activator	27262193	"Ustinov NB, Zav'yalova EG, Kopylov AM: Effect of Thrombin Inhibitors on Positive Feedback in the Coagulation Cascade. Biochemistry (Mosc). 2016 Mar;81(3):242-8. doi: 10.1134/S0006297916030068."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Factor Activity; Peptide Hydrolases; Biological Factors; Hydrolases; Enzymes and Coenzymes; Hemostatics; Hemorrhage; Endopeptidases; Serine Proteases; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"						20562	347911205							1367075
DB11572	Thrombin alfa	BE0000016	F8	P00451	FA8_HUMAN	activator	27262193	"Ustinov NB, Zav'yalova EG, Kopylov AM: Effect of Thrombin Inhibitors on Positive Feedback in the Coagulation Cascade. Biochemistry (Mosc). 2016 Mar;81(3):242-8. doi: 10.1134/S0006297916030068."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Factor Activity; Peptide Hydrolases; Biological Factors; Hydrolases; Enzymes and Coenzymes; Hemostatics; Hemorrhage; Endopeptidases; Serine Proteases; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"						20562	347911205							1367075
DB11580	Ravulizumab	BE0000855	C5	P01031	CO5_HUMAN	inhibitor	34820672; 31534662	"Ladwig PM, Willrich MAV: Ravulizumab: Characterization and quantitation of a new C5 inhibitor using isotype specific affinity purification and high-resolution mass spectrometry. J Mass Spectrom Adv Clin Lab. 2021 Aug 12;21:10-18. doi: 10.1016/j.jmsacl.2021.08.002. eCollection 2021 Aug.@@Stern RM, Connell NT: Ravulizumab: a novel C5 inhibitor for the treatment of paroxysmal nocturnal hemoglobinuria. Ther Adv Hematol. 2019 Sep 10;10:2040620719874728. doi: 10.1177/2040620719874728. eCollection 2019."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Immunotherapy; Serum Globulins; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Complement Inactivator Proteins; Amino Acids, Peptides, and Proteins"						23349						Ravulizumab		2107316
DB11581	Venetoclax	BE0000246	BCL2	P10415	BCL2_HUMAN	antagonist	23410971; 23291630; 28056525; 33275726; 27092880; 33199836; 31591468; 33578607	"Davids MS, Letai A: ABT-199: taking dead aim at BCL-2. Cancer Cell. 2013 Feb 11;23(2):139-41. doi: 10.1016/j.ccr.2013.01.018.@@Souers AJ, Leverson JD, Boghaert ER, Ackler SL, Catron ND, Chen J, Dayton BD, Ding H, Enschede SH, Fairbrother WJ, Huang DC, Hymowitz SG, Jin S, Khaw SL, Kovar PJ, Lam LT, Lee J, Maecker HL, Marsh KC, Mason KD, Mitten MJ, Nimmer PM, Oleksijew A, Park CH, Park CM, Phillips DC, Roberts AW, Sampath D, Seymour JF, Smith ML, Sullivan GM, Tahir SK, Tse C, Wendt MD, Xiao Y, Xue JC, Zhang H, Humerickhouse RA, Rosenberg SH, Elmore SW: ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. Nat Med. 2013 Feb;19(2):202-8. doi: 10.1038/nm.3048. Epub 2013 Jan 6.@@King AC, Peterson TJ, Horvat TZ, Rodriguez M, Tang LA: Venetoclax: A First-in-Class Oral BCL-2 Inhibitor for the Management of Lymphoid Malignancies. Ann Pharmacother. 2017 May;51(5):410-416. doi: 10.1177/1060028016685803. Epub 2017 Jan 6.@@Castillo JJ, Treon SP: Management of Waldenstrom macroglobulinemia in 2020. Hematology Am Soc Hematol Educ Program. 2020 Dec 4;2020(1):372-379. doi: 10.1182/hematology.2020000121.@@Pallis M, Burrows F, Ryan J, Grundy M, Seedhouse C, Abdul-Aziz A, Montero J, Letai A, Russell N: Complementary dynamic BH3 profiles predict co-operativity between the multi-kinase inhibitor TG02 and the BH3 mimetic ABT-199 in acute myeloid leukaemia cells. Oncotarget. 2017 Mar 7;8(10):16220-16232. doi: 10.18632/oncotarget.8742.@@Emadi A, Kapadia B, Bollino D, Bhandary B, Baer MR, Niyongere S, Strovel ET, Kaizer H, Chang E, Choi EY, Ma X, Tighe KM, Carter-Cooper B, Moses BS, Civin CI, Mahurkar A, Shetty AC, Gartenhaus RB, Kamangar F, Lapidus RG: Venetoclax and pegcrisantaspase for complex karyotype acute myeloid leukemia. Leukemia. 2021 Jul;35(7):1907-1924. doi: 10.1038/s41375-020-01080-6. Epub 2020 Nov 16.@@Castillo JJ, Treon SP: What is new in the treatment of Waldenstrom macroglobulinemia? Leukemia. 2019 Nov;33(11):2555-2562. doi: 10.1038/s41375-019-0592-8. Epub 2019 Oct 7.@@Wang L, Lin N: Double remission of chronic lymphocytic leukemia and secondary acute myeloid leukemia after venetoclax monotherapy: A case report. Medicine (Baltimore). 2021 Feb 12;100(6):e24703. doi: 10.1097/MD.0000000000024703."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	OATP1B1/SLCO1B1 Inhibitors; Increased Cellular Death; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Amides; BCL-2 Inhibitor; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs	CC1(C)CCC(CN2CCN(CC2)C2=CC=C(C(=O)NS(=O)(=O)C3=CC=C(NCC4CCOCC4)C(=C3)[N+]([O-])=O)C(OC3=CN=C4NC=CC4=C3)=C2)=C(C1)C1=CC=C(Cl)C=C1					22812	347827991	D10679	PA166153473			Venetoclax	CHEMBL3137309	1747556
DB11582	Thiocolchicoside	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	antagonist	16806306; 17234181	"Carta M, Murru L, Botta P, Talani G, Sechi G, De Riu P, Sanna E, Biggio G: The muscle relaxant thiocolchicoside is an antagonist of GABAA receptor function in the central nervous system. Neuropharmacology. 2006 Sep;51(4):805-15. Epub 2006 Jun 30.@@Mascia MP, Bachis E, Obili N, Maciocco E, Cocco GA, Sechi GP, Biggio G: Thiocolchicoside inhibits the activity of various subtypes of recombinant GABA(A) receptors expressed in Xenopus laevis oocytes. Eur J Pharmacol. 2007 Mar 8;558(1-3):37-42. Epub 2006 Dec 12."	Experimental	Phenolic glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Depressants; Muscle Relaxants; Alkaloids"	COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC						347827992	D07276				Thiocolchicoside	CHEMBL213907	38085
DB11582	Thiocolchicoside	BE0000433	GLRA1	P23415	GLRA1_HUMAN	antagonist	17234181	"Mascia MP, Bachis E, Obili N, Maciocco E, Cocco GA, Sechi GP, Biggio G: Thiocolchicoside inhibits the activity of various subtypes of recombinant GABA(A) receptors expressed in Xenopus laevis oocytes. Eur J Pharmacol. 2007 Mar 8;558(1-3):37-42. Epub 2006 Dec 12."	Experimental	Phenolic glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Depressants; Muscle Relaxants; Alkaloids"	COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC						347827992	D07276				Thiocolchicoside	CHEMBL213907	38085
DB11582	Thiocolchicoside	BE0003517	TNFSF11	O14788	TNF11_HUMAN	antagonist	21955206	"Reuter S, Gupta SC, Phromnoi K, Aggarwal BB: Thiocolchicoside suppresses osteoclastogenesis induced by RANKL and cancer cells through inhibition of inflammatory pathways: a new use for an old drug. Br J Pharmacol. 2012 Apr;165(7):2127-39. doi: 10.1111/j.1476-5381.2011.01702.x."	Experimental	Phenolic glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Muscle Relaxants, Centrally Acting Agents; Musculo-Skeletal System; Central Nervous System Depressants; Muscle Relaxants; Alkaloids"	COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC						347827992	D07276				Thiocolchicoside	CHEMBL213907	38085
DB11588	Carbon monoxide	BE0004467	MB	P02144	MYG_HUMAN	inhibitor	29360803; 11387414	"Djenane D, Roncales P: Carbon Monoxide in Meat and Fish Packaging: Advantages and Limits. Foods. 2018 Jan 23;7(2). pii: foods7020012. doi: 10.3390/foods7020012.@@Blumenthal I: Carbon monoxide poisoning. J R Soc Med. 2001 Jun;94(6):270-2. doi: 10.1177/014107680109400604."	Approved; Investigational	Homogeneous other non-metal compounds	Inorganic compounds; Homogeneous non-metal compounds; Homogeneous other non-metal compounds	"Oxides; Gases; Diagnostic Agents; Oxygen Compounds; Neurotransmitter Agents; Noxae; Toxic Actions; Gasotransmitters; Carbon Compounds, Inorganic"						1938	347827995	D09706				Carbon_monoxide	CHEMBL1231840	2037
DB11590	Thimerosal	BE0000734	MTR	Q99707	METH_HUMAN	antagonist			Approved	O-sulfanylbenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organometallic Compounds; Cell-mediated Immunity; Pharmaceutical Preparations; Pharmaceutic Aids; Antiseptics and Disinfectants; Ethylmercury Compounds; Alkylmercury Compounds; Preservatives, Pharmaceutical; Dermatologicals; Mercurial Products; Organomercury Compounds; Standardized Chemical Allergen; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O					9234	347827997	D00864				Thiomersal	CHEMBL508338	10472
DB11590	Thimerosal	BE0000030	SLC7A11	Q9UPY5	XCT_HUMAN	antagonist			Approved	O-sulfanylbenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organometallic Compounds; Cell-mediated Immunity; Pharmaceutical Preparations; Pharmaceutic Aids; Antiseptics and Disinfectants; Ethylmercury Compounds; Alkylmercury Compounds; Preservatives, Pharmaceutical; Dermatologicals; Mercurial Products; Organomercury Compounds; Standardized Chemical Allergen; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O					9234	347827997	D00864				Thiomersal	CHEMBL508338	10472
DB11590	Thimerosal	BE0000229	FXYD2	P54710	ATNG_HUMAN	antagonist			Approved	O-sulfanylbenzoic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Organometallic Compounds; Cell-mediated Immunity; Pharmaceutical Preparations; Pharmaceutic Aids; Antiseptics and Disinfectants; Ethylmercury Compounds; Alkylmercury Compounds; Preservatives, Pharmaceutical; Dermatologicals; Mercurial Products; Organomercury Compounds; Standardized Chemical Allergen; Increased Histamine Release; Compounds used in a research, industrial, or household setting"	[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O					9234	347827997	D00864				Thiomersal	CHEMBL508338	10472
DB11591	Bilastine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	27110120	"Wang XY, Lim-Jurado M, Prepageran N, Tantilipikorn P, Wang de Y: Treatment of allergic rhinitis and urticaria: a review of the newest antihistamine drug bilastine. Ther Clin Risk Manag. 2016 Apr 13;12:585-97. doi: 10.2147/TCRM.S105189. eCollection 2016."	Approved; Investigational	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Decongestants and Antiallergics; QTc Prolonging Agents; Histamine Antagonists; Histamine H1 Antagonists; Histamine H1 Antagonists, Non-Sedating; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Antihistamines for Systemic Use; Sensory Organs"	CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1		Bilastine H1-Antihistamine Action	drug_action		22707	347827998					Bilastine	CHEMBL1742423	
DB11595	Atezolizumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	27412122; 26952546; 33807678	"Markham A: Atezolizumab: First Global Approval. Drugs. 2016 Aug;76(12):1227-32. doi: 10.1007/s40265-016-0618-8.@@Rosenberg JE, Hoffman-Censits J, Powles T, van der Heijden MS, Balar AV, Necchi A, Dawson N, O'Donnell PH, Balmanoukian A, Loriot Y, Srinivas S, Retz MM, Grivas P, Joseph RW, Galsky MD, Fleming MT, Petrylak DP, Perez-Gracia JL, Burris HA, Castellano D, Canil C, Bellmunt J, Bajorin D, Nickles D, Bourgon R, Frampton GM, Cui N, Mariathasan S, Abidoye O, Fine GD, Dreicer R: Atezolizumab in patients with locally advanced and metastatic urothelial carcinoma who have progressed following treatment with platinum-based chemotherapy: a single-arm, multicentre, phase 2 trial. Lancet. 2016 May 7;387(10031):1909-20. doi: 10.1016/S0140-6736(16)00561-4. Epub 2016 Mar 4.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Proteins; Programmed Death Receptor-1 Blocking Antibody; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Programmed Death Receptor-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins"						22863	347911207	D10773				Atezolizumab		1792776
DB11601	Tuberculin purified protein derivative	BE0001164	TLR2	O60603	TLR2_HUMAN	ligand	27942355; 19056540	"Biyikli OO, Baysak A, Ece G, Oz AT, Ozhan MH, Berdeli A: Role of Toll-Like Receptors in Tuberculosis Infection. Jundishapur J Microbiol. 2016 Sep 14;9(10):e20224. eCollection 2016 Oct.@@Strapagiel D, Kasztalska K, Druszczynska M, Kowalewicz-Kulbat M, Vrba A, Matusiak A, Chmiela M, Rudnicka W: Monocyte response receptors in BCG driven delayed type hypersensitivity to tuberculin. Folia Histochem Cytobiol. 2008;46(3):353-9. doi: 10.2478/v10042-008-0044-1."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Indicators and Reagents; Tuberculosis; Antigens; Antigens, Bacterial; Skin Test Antigen; Biological Factors; Cell-mediated Immunity; Tuberculin; Antihistamine Drugs; Proteins; Bacterial Proteins; Amino Acids, Peptides, and Proteins; Tuberculosis Skin Test; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"						7783	347911212					Tuberculin		8948
DB11605	Myrrh	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	antagonist	11988537	"Urizar NL, Liverman AB, Dodds DT, Silva FV, Ordentlich P, Yan Y, Gonzalez FJ, Heyman RA, Mangelsdorf DJ, Moore DD: A natural product that lowers cholesterol as an antagonist ligand for FXR. Science. 2002 May 31;296(5573):1703-6. Epub 2002 May 2."	Approved			Viridiplantae; Biological Products; Angiosperms; Burseraceae; Eukaryota; Tracheophyta; Complex Mixtures; Polymers; Embryophyta; Macromolecular Substances; Biopolymers; Streptophyta; Commiphora; Plant Exudates						6952	347911215					Myrrh		67257
DB11605	Myrrh	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	11988537	"Urizar NL, Liverman AB, Dodds DT, Silva FV, Ordentlich P, Yan Y, Gonzalez FJ, Heyman RA, Mangelsdorf DJ, Moore DD: A natural product that lowers cholesterol as an antagonist ligand for FXR. Science. 2002 May 31;296(5573):1703-6. Epub 2002 May 2."	Approved			Viridiplantae; Biological Products; Angiosperms; Burseraceae; Eukaryota; Tracheophyta; Complex Mixtures; Polymers; Embryophyta; Macromolecular Substances; Biopolymers; Streptophyta; Commiphora; Plant Exudates						6952	347911215					Myrrh		67257
DB11605	Myrrh	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	11988537	"Urizar NL, Liverman AB, Dodds DT, Silva FV, Ordentlich P, Yan Y, Gonzalez FJ, Heyman RA, Mangelsdorf DJ, Moore DD: A natural product that lowers cholesterol as an antagonist ligand for FXR. Science. 2002 May 31;296(5573):1703-6. Epub 2002 May 2."	Approved			Viridiplantae; Biological Products; Angiosperms; Burseraceae; Eukaryota; Tracheophyta; Complex Mixtures; Polymers; Embryophyta; Macromolecular Substances; Biopolymers; Streptophyta; Commiphora; Plant Exudates						6952	347911215					Myrrh		67257
DB11606	Susoctocog alfa	BE0001043	VWF	P04275	VWF_HUMAN	binding			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Blood and Blood Forming Organs; Blood Coagulation Factors; Hemostatics						22653	347911216					Susoctocog_alfa		1592899
DB11607	Efmoroctocog alfa	BE0001043	VWF	P04275	VWF_HUMAN	binding			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Human Antihemophilic Factors; Hemostatics						22511	347911217					Efmoroctocog_alfa		1543095
DB11611	Lifitegrast	BE0000516	ITGAL	P20701	ITAL_HUMAN	antagonist	27883115	Paton DM: Lifitegrast: First LFA-1/ICAM-1 antagonist for treatment of dry eye disease. Drugs Today (Barc). 2016 Sep;52(9):485-493.	Approved	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Anti-Inflammatory Agents; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; Anti-inflammatory Agents, Miscellaneous; Cytochrome P-450 Enzyme Inhibitors; Pharmaceutical Solutions; Cytochrome P-450 CYP2C9 Inhibitors; Amino Acids; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Lymphocyte Function-Associated Antigen-1; Compounds used in a research, industrial, or household setting; Solutions; Pharmaceutical Preparations; Ophthalmologicals; Amino Acids, Cyclic; Lymphocyte Function-Associated Antigen-1 Antagonists; Sulfur Compounds; Lymphocyte Function-Associated Antigen-1 Antagonist; Ophthalmic Solutions; Sensory Organs"	CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1					22923	347828006	D10374				Lifitegrast	CHEMBL2048028	1801820
DB11614	Rupatadine	BE0005561	PTAFR	P25105	PTAFR_HUMAN	antagonist	8996188	"Merlos M, Giral M, Balsa D, Ferrando R, Queralt M, Puigdemont A, Garcia-Rafanell J, Forn J: Rupatadine, a new potent, orally active dual antagonist of histamine and platelet-activating factor (PAF). J Pharmacol Exp Ther. 1997 Jan;280(1):114-21."	Approved	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	"Platelet Activating Factor, antagonists & inhibitors; Potential QTc-Prolonging Agents; Piperidines; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Substrates"	CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1		Rupatadine H1-Antihistamine Action	drug_action		22754	347828008		PA165107052			Rupatadine	CHEMBL91397	
DB11614	Rupatadine	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	8996188	"Merlos M, Giral M, Balsa D, Ferrando R, Queralt M, Puigdemont A, Garcia-Rafanell J, Forn J: Rupatadine, a new potent, orally active dual antagonist of histamine and platelet-activating factor (PAF). J Pharmacol Exp Ther. 1997 Jan;280(1):114-21."	Approved	Benzocycloheptapyridines	Organic compounds; Organoheterocyclic compounds; Benzocycloheptapyridines	"Platelet Activating Factor, antagonists & inhibitors; Potential QTc-Prolonging Agents; Piperidines; Cytochrome P-450 CYP2D6 Substrates; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Histamine Antagonists; Cytochrome P-450 CYP3A Substrates; Dibenzocycloheptenes; Benzocycloheptenes; Histamine H1 Antagonists; Antihistamines for Systemic Use; Histamine H1 Antagonists, Non-Sedating; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Substrates"	CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1		Rupatadine H1-Antihistamine Action	drug_action		22754	347828008		PA165107052			Rupatadine	CHEMBL91397	
DB11619	Gestrinone	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist			Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						347828012	D04317				Gestrinone	CHEMBL1868702	4792
DB11619	Gestrinone	BE0000794	NR3C1	P04150	GCR_HUMAN	antagonist			Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						347828012	D04317				Gestrinone	CHEMBL1868702	4792
DB11619	Gestrinone	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist			Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						347828012	D04317				Gestrinone	CHEMBL1868702	4792
DB11619	Gestrinone	BE0000123	ESR1	P03372	ESR1_HUMAN	antagonist			Approved	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"Norsteroids; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Antigonadotropins and Similar Agents; Hormones; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Contraceptives, Oral, Hormonal; Contraceptives, Oral; Contraceptive Agents, Female; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]						347828012	D04317				Gestrinone	CHEMBL1868702	4792
DB11623	Candoxatrilat	BE0000266	MME	P08473	NEP_HUMAN	inhibitor	2611529; 16085334	"Alabaster CT, Machin I, Samuels GM, Sutton MR: The effects of UK-79,300, an orally-absorbed atriopeptidase inhibitor, in a conscious dog model of cardiac insufficiency. Br J Pharmacol. 1989 Dec;98 Suppl:823P.@@Sansoe G, Aragno M, Mastrocola R, Restivo F, Mengozzi G, Smedile A, Rosina F, Danni O, Parola M, Rizzetto M: Neutral endopeptidase (EC 3.4.24.11) in cirrhotic liver: a new target to treat portal hypertension? J Hepatol. 2005 Nov;43(5):791-8. Epub 2005 Jun 20."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Protease Inhibitors; Cycloparaffins; Enzyme Inhibitors; Acids, Carbocyclic; Neprilysin, antagonists & inhibitors; Cyclohexanes"	COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O						347828015	D03349				Candoxatril	CHEMBL434492	
DB11626	Tasonermin	BE0001139	TNFRSF1A	P19438	TNR1A_HUMAN	agonist	12655295	"Wajant H, Pfizenmaier K, Scheurich P: Tumor necrosis factor signaling. Cell Death Differ. 2003 Jan;10(1):45-65. doi: 10.1038/sj.cdd.4401189."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Adjuvants, Immunologic; Antineoplastic and Immunomodulating Agents"												Tumor_necrosis_factor		283746
DB11626	Tasonermin	BE0000949	TNFRSF1B	P20333	TNR1B_HUMAN	agonist	12655295	"Wajant H, Pfizenmaier K, Scheurich P: Tumor necrosis factor signaling. Cell Death Differ. 2003 Jan;10(1):45-65. doi: 10.1038/sj.cdd.4401189."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Adjuvants, Immunologic; Antineoplastic and Immunomodulating Agents"												Tumor_necrosis_factor		283746
DB11632	Opicapone	BE0002089	COMT	P21964	COMT_HUMAN	inhibitor	27498199; 16690967	"Scott LJ: Opicapone: A Review in Parkinson's Disease. Drugs. 2016 Sep;76(13):1293-1300. doi: 10.1007/s40265-016-0623-y.@@Tardy B, Lecompte T, Boelhen F, Tardy-Poncet B, Elalamy I, Morange P, Gruel Y, Wolf M, Francois D, Racadot E, Camarasa P, Blouch MT, Nguyen F, Doubine S, Dutrillaux F, Alhenc-Gelas M, Martin-Toutain I, Bauters A, Ffrench P, de Maistre E, Grunebaum L, Mouton C, Huisse MG, Gouault-Heilmann M, Lucke V: Predictive factors for thrombosis and major bleeding in an observational study in 181 patients with heparin-induced thrombocytopenia treated with lepirudin. Blood. 2006 Sep 1;108(5):1492-6. Epub 2006 May 11."	Approved; Investigational	Phenyloxadiazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); Enzyme Inhibitors; COMT Inhibitors; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Anti-Parkinson Drugs; Cytochrome P-450 CYP2B6 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); OATP2B1/SLCO2B1 substrates; Oxazoles; Cytochrome P-450 CYP2C19 Inducers; Central Nervous System Agents; OATP1B3 substrates; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl											Opicapone	CHEMBL1089318	2362167
DB11633	Isavuconazole	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11633	Isavuconazole	BE0001030	KCNJ6	P48051	KCNJ6_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11633	Isavuconazole	BE0005190	KCNJ9	Q92806	KCNJ9_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11633	Isavuconazole	BE0003604	KCND3	Q9UK17	KCND3_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11633	Isavuconazole	BE0000672	KCNQ1	P51787	KCNQ1_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11633	Isavuconazole	BE0000197	SCN5A	Q14524	SCN5A_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11635	Tocofersolan	BE0001032	ABCB1	P08183	MDR1_HUMAN	antagonist			Approved			"Drug Carriers; Vitamins; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Vitamin E; Cytochrome P-450 CYP3A4 Substrates; Pyrans; Alimentary Tract and Metabolism; Compounds used in a research, industrial, or household setting"						72	347911221					Tocofersolan		159151
DB11638	Artenimol	BE0005013	ACTG1	P63261	ACTG_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000135	ALDH7A1	P49419	AL7A1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0001170	ANXA2	P07355	ANXA2_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0003840	ATP5A1	P25705	ATPA_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000904	CAST	P20810	ICAL_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0004174	CFL1	P23528	COF1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0005806	DPYSL2	Q16555	DPYL2_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0005807	ENO1	P06733	ENOA_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0005795	FTO	Q9C0B1	FTO_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000720	GAPDHS	O14556	G3PT_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0001199	GPI	P06744	G6PI_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0008960	HNRNPA2B1	P22626	ROA2_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009100	HNRNPD	Q14103	HNRPD_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009101	HP1BP3	Q5SSJ5	HP1B3_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009102	IQGAP1	P46940	IQGA1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000068	LDHB	P07195	LDHB_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0003475	MAP4	P27816	MAP4_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000589	MDH1	P40925	MDHC_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0003419	NPEPPS	P55786	PSA_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0005844	PRDX1	Q06830	PRDX1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009104	RPL10	P27635	RL10_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0003828	RPL23A	P62750	RL23A_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009107	RPL35	P42766	RL35_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009108	RPL4	P36578	RL4_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009114	RPS5	P46782	RS5_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009117	RPS9	P46781	RS9_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009118	SF1	Q15637	SF01_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009120	SRSF4	Q08170	SRSF4_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0003402	TUBB6	Q9BUF5	TBB6_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0001408	TUBB4A	P04350	TBB4A_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000143	TUBB	P07437	TBB5_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0009161	MYH9	P35579	MYH9_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0002467	P4HB	P07237	PDIA1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0000292	SHMT2	P34897	GLYM_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0004598	DDX39B	Q13838	DX39B_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11639	Dibotermin alfa	BE0009324	BMPR2	Q13873	BMPR2_HUMAN	ligand	12473698; 19707367	"Govender S, Csimma C, Genant HK, Valentin-Opran A, Amit Y, Arbel R, Aro H, Atar D, Bishay M, Borner MG, Chiron P, Choong P, Cinats J, Courtenay B, Feibel R, Geulette B, Gravel C, Haas N, Raschke M, Hammacher E, van der Velde D, Hardy P, Holt M, Josten C, Ketterl RL, Lindeque B, Lob G, Mathevon H, McCoy G, Marsh D, Miller R, Munting E, Oevre S, Nordsletten L, Patel A, Pohl A, Rennie W, Reynders P, Rommens PM, Rondia J, Rossouw WC, Daneel PJ, Ruff S, Ruter A, Santavirta S, Schildhauer TA, Gekle C, Schnettler R, Segal D, Seiler H, Snowdowne RB, Stapert J, Taglang G, Verdonk R, Vogels L, Weckbach A, Wentzensen A, Wisniewski T: Recombinant human bone morphogenetic protein-2 for treatment of open tibial fractures: a prospective, controlled, randomized study of four hundred and fifty patients. J Bone Joint Surg Am. 2002 Dec;84-A(12):2123-34.@@Ghodadra N, Singh K: Recombinant human bone morphogenetic protein-2 in the treatment of bone fractures. Biologics. 2008 Sep;2(3):345-54."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Musculo-Skeletal System; Biological Factors; Intercellular Signaling Peptides and Proteins; TGF-beta Superfamily Proteins; Bone Morphogenetic Proteins; Peptides; Proteins; Drugs Affecting Bone Structure and Mineralization; Amino Acids, Peptides, and Proteins; Drugs for Treatment of Bone Diseases"										P12643		Bone_morphogenetic_protein_2		
DB11639	Dibotermin alfa	BE0009272	BMPR1A	P36894	BMR1A_HUMAN	ligand	11263668; 10692589; 10880444; 10712517	"Nickel J, Dreyer MK, Kirsch T, Sebald W: The crystal structure of the BMP-2:BMPR-IA complex and the generation of BMP-2 antagonists. J Bone Joint Surg Am. 2001;83-A Suppl 1(Pt 1):S7-14.@@Kirsch T, Nickel J, Sebald W: Isolation of recombinant BMP receptor IA ectodomain and its 2:1 complex with BMP-2. FEBS Lett. 2000 Feb 25;468(2-3):215-9.@@Kirsch T, Nickel J, Sebald W: BMP-2 antagonists emerge from alterations in the low-affinity binding epitope for receptor BMPR-II. EMBO J. 2000 Jul 3;19(13):3314-24. doi: 10.1093/emboj/19.13.3314.@@Gilboa L, Nohe A, Geissendorfer T, Sebald W, Henis YI, Knaus P: Bone morphogenetic protein receptor complexes on the surface of live cells: a new oligomerization mode for serine/threonine kinase receptors. Mol Biol Cell. 2000 Mar;11(3):1023-35."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Musculo-Skeletal System; Biological Factors; Intercellular Signaling Peptides and Proteins; TGF-beta Superfamily Proteins; Bone Morphogenetic Proteins; Peptides; Proteins; Drugs Affecting Bone Structure and Mineralization; Amino Acids, Peptides, and Proteins; Drugs for Treatment of Bone Diseases"										P12643		Bone_morphogenetic_protein_2		
DB11641	Vinflunine	BE0000143	TUBB	P07437	TBB5_HUMAN	inhibitor	8663038; 19455242; 28042310	"Rai SS, Wolff J: Localization of the vinblastine-binding site on beta-tubulin. J Biol Chem. 1996 Jun 21;271(25):14707-11.@@Huzil JT, Chen K, Kurgan L, Tuszynski JA: The roles of beta-tubulin mutations and isotype expression in acquired drug resistance. Cancer Inform. 2007 Apr 27;3:159-81.@@Gerullis H, Wawroschek F, Kohne CH, Ecke TH: Vinflunine in the treatment of advanced urothelial cancer: clinical evidence and experience. Ther Adv Urol. 2017 Jan;9(1):28-35. doi: 10.1177/1756287216677903. Epub 2016 Nov  21."	Approved; Investigational	Vinca alkaloids	Organic compounds; Alkaloids and derivatives; Vinca alkaloids	"Secologanin Tryptamine Alkaloids; Antineoplastic and Immunomodulating Agents; Vinca Alkaloids; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 Substrates; Indolizidines; Indole Alkaloids; Cytochrome P-450 CYP3A Substrates; Alkaloids; Indolizines; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Indoles; Antineoplastic Agents"	CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC											Vinflunine	CHEMBL2110725	
DB11644	Tafamidis	BE0000337	TTR	P02766	TTHY_HUMAN	chaperone	31735731	"Endo J, Sano M, Izumiya Y, Tsujita K, Nakamura K, Tahara N, Kuwahara K, Inomata T, Ueda M, Sekijima Y, Ando Y, Tsutsui H, Isobe M, Fukuda K: A Statement on the Appropriate Administration of Tafamidis in Patients With Transthyretin Cardiac Amyloidosis. Circ J. 2019 Dec 25;84(1):15-17. doi: 10.1253/circj.CJ-19-0811. Epub 2019 Nov 16."	Approved; Investigational	"Phenyl-1,3-oxazoles"	Organic compounds; Organoheterocyclic compounds; Azoles; Oxazoles	"Fused-Ring Compounds; Miscellaneous Cardiac Drugs; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; OAT3/SLC22A8 Inhibitors; Immunologic Factors; Anti-Inflammatory Agents; Nervous System; Transthyretin Stabilizers; OAT1/SLC22A6 inhibitors; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1					23612	347828016	D09673				Tafamidis	CHEMBL2103837	1545063
DB11652	Tucatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	inhibitor	32241871; 29955792	"Kulukian A, Lee P, Taylor J, Rosler R, de Vries P, Watson D, Forero-Torres A, Peterson S: Preclinical Activity of HER2-Selective Tyrosine Kinase Inhibitor Tucatinib as a Single Agent or in Combination with Trastuzumab or Docetaxel in Solid Tumor Models. Mol Cancer Ther. 2020 Apr;19(4):976-987. doi: 10.1158/1535-7163.MCT-19-0873.@@Borges VF, Ferrario C, Aucoin N, Falkson C, Khan Q, Krop I, Welch S, Conlin A, Chaves J, Bedard PL, Chamberlain M, Gray T, Vo A, Hamilton E: Tucatinib Combined With Ado-Trastuzumab Emtansine in Advanced ERBB2/HER2-Positive Metastatic Breast Cancer: A Phase 1b Clinical Trial. JAMA Oncol. 2018 Sep 1;4(9):1214-1220. doi: 10.1001/jamaoncol.2018.1812."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors"	CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1					23469	347828023					Tucatinib	CHEMBL3989868	2361285
DB11652	Tucatinib	BE0009917	ERBB3	P21860	ERBB3_HUMAN	inhibitor			Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors"	CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1					23469	347828023					Tucatinib	CHEMBL3989868	2361285
DB11653	Bremelanotide	BE0000848	MC2R	Q01718	ACTHR_HUMAN	agonist			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Melanocortins; Protein Precursors; Amino Acids, Peptides, and Proteins; Nerve Tissue Proteins; Proteins; Genito Urinary System and Sex Hormones; Hormones; Receptor, Melanocortin, Type 3, agonists; Melanocyte-Stimulating Hormones; Neuropeptides; Peptides; Pro-Opiomelanocortin; Melanocortin Receptor Agonists; Peptide Hormones; Hypothalamic Hormones; Pituitary Hormones, Anterior; Pituitary Hormones; Receptor, Melanocortin, Type 4, agonists; Hormones, Hormone Substitutes, and Hormone Antagonists"							347828024					Bremelanotide	CHEMBL2070241	2176312
DB11660	Latanoprostene bunod	BE0000610	PTGFR	P43088	PF2R_HUMAN	agonist			Approved; Investigational	Prostaglandins and related compounds	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Inflammation Mediators; Biological Factors; Ophthalmologicals; Prostaglandins; Lipids; Autacoids; OATP2B1/SLCO2B1 substrates; Antiglaucoma Preparations and Miotics; Prostaglandin analogs reducing intraocular pressure (IOP); Fatty Acids; Drugs that are Mainly Renally Excreted; Eicosanoids; Fatty Acids, Unsaturated; Prostaglandins, Synthetic; Sensory Organs"	O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1					23032	347828030					Latanoprostene_bunod	CHEMBL2364612	1988390
DB11672	Curcumin	BE0000215	PPARG	P37231	PPARG_HUMAN		15713005	"Nishiyama T, Mae T, Kishida H, Tsukagawa M, Mimaki Y, Kuroda M, Sashida Y, Takahashi K, Kawada T, Nakagawa K, Kitahara M: Curcuminoids and sesquiterpenoids in turmeric (Curcuma longa L.) suppress an increase in blood glucose level in type 2 diabetic KK-Ay mice. J Agric Food Chem. 2005 Feb 23;53(4):959-63."	Approved; Investigational	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents"	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O						347828040					Curcumin	CHEMBL140	2955
DB11672	Curcumin	BE0000779	VDR	P11473	VDR_HUMAN		20153625	"Bartik L, Whitfield GK, Kaczmarska M, Lowmiller CL, Moffet EW, Furmick JK, Hernandez Z, Haussler CA, Haussler MR, Jurutka PW: Curcumin: a novel nutritionally derived ligand of the vitamin D receptor with implications for colon cancer chemoprevention. J Nutr Biochem. 2010 Dec;21(12):1153-61. doi: 10.1016/j.jnutbio.2009.09.012. Epub 2010 Feb 12."	Approved; Investigational	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents"	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O						347828040					Curcumin	CHEMBL140	2955
DB11672	Curcumin	BE0003639	ABCC5	O15440	MRP5_HUMAN	inhibitor	23978416	Prehm P: Curcumin analogue identified as hyaluronan export inhibitor by virtual docking to the ABC transporter MRP5. Food Chem Toxicol. 2013 Dec;62:76-81. doi: 10.1016/j.fct.2013.08.028. Epub 2013 Aug 24.	Approved; Investigational	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Benzene Derivatives; Hydrocarbons, Acyclic; Coloring Agents; Cytochrome P-450 Enzyme Inhibitors; Phenols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Alkanes; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (moderate); Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Diarylheptanoids; Compounds used in a research, industrial, or household setting; Heptanes; Catechols; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Cytochrome P-450 CYP3A4 Inhibitors (strong); Antirheumatic Agents"	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O						347828040					Curcumin	CHEMBL140	2955
DB11674	Equol	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	15084758; 15883431	"Mueller SO, Simon S, Chae K, Metzler M, Korach KS: Phytoestrogens and their human metabolites show distinct agonistic and antagonistic properties on estrogen receptor alpha (ERalpha) and ERbeta in human cells. Toxicol Sci. 2004 Jul;80(1):14-25. Epub 2004 Apr 14.@@Setchell KD, Clerici C, Lephart ED, Cole SJ, Heenan C, Castellani D, Wolfe BE, Nechemias-Zimmer L, Brown NM, Lund TD, Handa RJ, Heubi JE: S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9."	Investigational	Isoflavanols	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavans	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Estrogens; Phytoestrogens; Hormones; Estrogens, Non-Steroidal; Flavonoids; Hormones, Hormone Substitutes, and Hormone Antagonists"	OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2						347828042					Equol	CHEMBL198877	1803717
DB11679	Fruquintinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12						347828047					Fruquintinib	CHEMBL4303214	2670179
DB11679	Fruquintinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12						347828047					Fruquintinib	CHEMBL4303214	2670179
DB11679	Fruquintinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates"	CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12						347828047					Fruquintinib	CHEMBL4303214	2670179
DB11682	Daprodustat	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN	inhibitor	32880805; 33597868	"Dhillon S: Daprodustat: First Approval. Drugs. 2020 Sep;80(14):1491-1497. doi: 10.1007/s40265-020-01384-y.@@Zheng Q, Wang Y, Yang H, Sun L, Fu X, Wei R, Liu YN, Liu WJ: Efficacy and Safety of Daprodustat for Anemia Therapy in Chronic Kidney Disease Patients: A Systematic Review and Meta-Analysis. Front Pharmacol. 2021 Jan 12;11:573645. doi: 10.3389/fphar.2020.573645. eCollection 2020."	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; Amino Acids; OATP1B3 inhibitors; Blood and Blood Forming Organs; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Pyrimidinones; Antianemic Preparations; Pyrimidines"	OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O						347828049		PA166280581			Daprodustat	CHEMBL3544988	2628210
DB11682	Daprodustat	BE0002219	EGLN3	Q9H6Z9	EGLN3_HUMAN	inhibitor	32880805; 33597868	"Dhillon S: Daprodustat: First Approval. Drugs. 2020 Sep;80(14):1491-1497. doi: 10.1007/s40265-020-01384-y.@@Zheng Q, Wang Y, Yang H, Sun L, Fu X, Wei R, Liu YN, Liu WJ: Efficacy and Safety of Daprodustat for Anemia Therapy in Chronic Kidney Disease Patients: A Systematic Review and Meta-Analysis. Front Pharmacol. 2021 Jan 12;11:573645. doi: 10.3389/fphar.2020.573645. eCollection 2020."	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; Amino Acids; OATP1B3 inhibitors; Blood and Blood Forming Organs; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Pyrimidinones; Antianemic Preparations; Pyrimidines"	OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O						347828049		PA166280581			Daprodustat	CHEMBL3544988	2628210
DB11689	Selumetinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN	inhibitor	17332304; 17699718; 28029918	"Yeh TC, Marsh V, Bernat BA, Ballard J, Colwell H, Evans RJ, Parry J, Smith D, Brandhuber BJ, Gross S, Marlow A, Hurley B, Lyssikatos J, Lee PA, Winkler JD, Koch K, Wallace E: Biological characterization of ARRY-142886 (AZD6244), a potent, highly selective mitogen-activated protein kinase kinase 1/2 inhibitor. Clin Cancer Res. 2007 Mar 1;13(5):1576-83. doi: 10.1158/1078-0432.CCR-06-1150.@@Davies BR, Logie A, McKay JS, Martin P, Steele S, Jenkins R, Cockerill M, Cartlidge S, Smith PD: AZD6244 (ARRY-142886), a potent inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase 1/2 kinases: mechanism of action in vivo, pharmacokinetic/pharmacodynamic relationship, and potential for combination in preclinical models. Mol Cancer Ther. 2007 Aug;6(8):2209-19. doi: 10.1158/1535-7163.MCT-07-0231.@@Dombi E, Baldwin A, Marcus LJ, Fisher MJ, Weiss B, Kim A, Whitcomb P, Martin S, Aschbacher-Smith LE, Rizvi TA, Wu J, Ershler R, Wolters P, Therrien J, Glod J, Belasco JB, Schorry E, Brofferio A, Starosta AJ, Gillespie A, Doyle AL, Ratner N, Widemann BC: Activity of Selumetinib in Neurofibromatosis Type 1-Related Plexiform Neurofibromas. N Engl J Med. 2016 Dec 29;375(26):2550-2560. doi: 10.1056/NEJMoa1605943."	Approved; Investigational	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"Cytochrome P-450 CYP3A Substrates; Mitogen-Activated Protein Kinase Kinase 2 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Mitogen-Activated Protein Kinase Kinase 1 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP1A2 Substrates"	CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO					23774	347828055	D09666	PA166129529			Selumetinib	CHEMBL1614701	2289380
DB11691	Naldemedine	BE0000632	OPRK1	P41145	OPRK_HUMAN	antagonist			Approved; Investigational	Morphinans	Organic compounds; Alkaloids and derivatives; Morphinans	"Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Morphinans; UGT1A3 substrates; Alkaloids; Peripheral Opioid Receptor Antagonists; Opioid Antagonists; Drugs that are Mainly Renally Excreted; Opiate Alkaloids; Alimentary Tract and Metabolism; Drugs for Constipation"	[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O						347828056					Naldemedine	CHEMBL2105755	1876597
DB11692	Pavinetant	BE0002371	TACR3	P29371	NK3R_HUMAN	antagonist	24525659	"Litman RE, Smith MA, Desai DG, Simpson T, Sweitzer D, Kanes SJ: The selective neurokinin 3 antagonist AZD2624 does not improve symptoms or cognition in schizophrenia: a proof-of-principle study. J Clin Psychopharmacol. 2014 Apr;34(2):199-204. doi: 10.1097/JCP.0000000000000071."	Investigational	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines	"Receptors, Neurokinin-3, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Sulfones; Sulfur Compounds; Amides; Quinolines"	CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1						347828057					Pavinetant	CHEMBL3545233	
DB11693	Voclosporin	BE0000358	PPP3R1	P63098	CANB1_HUMAN	inhibitor			Approved; Investigational	Cyclosporins	Organic compounds; Organic acids and derivatives; Peptidomimetics; Peptoid-peptide hybrids	"Calcineurin Inhibitor Immunosuppressant; Peptides, Cyclic; Cytochrome P-450 CYP3A Substrates; Amino Acids, Peptides, and Proteins; Organic Anion Transporting Polypeptide 1B1 Inhibitors; Organic Anion Transporting Polypeptide 1B3 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Peptides; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Calcineurin Inhibitors; Cyclosporins"	[H][C@@]1([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C						347828058					Voclosporin		
DB11697	Pacritinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor			Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Janus Kinases, antagonists & inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Janus Kinase 2, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Janus Kinase Inhibitor; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3						347828062					Pacritinib	CHEMBL2035187	2595243
DB11697	Pacritinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor			Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Janus Kinases, antagonists & inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Janus Kinase 2, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Janus Kinase Inhibitor; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3						347828062					Pacritinib	CHEMBL2035187	2595243
DB11712	Tezacaftor	BE0001195	CFTR	P13569	CFTR_HUMAN	positive allosteric modulator	28930490; 29099344; 27714410	"Donaldson SH, Pilewski JM, Griese M, Cooke J, Viswanathan L, Tullis E, Davies JC, Lekstrom-Himes JA, Wang LT: Tezacaftor/Ivacaftor in Subjects with Cystic Fibrosis and F508del/F508del-CFTR or F508del/G551D-CFTR. Am J Respir Crit Care Med. 2018 Jan 15;197(2):214-224. doi: 10.1164/rccm.201704-0717OC.@@Taylor-Cousar JL, Munck A, McKone EF, van der Ent CK, Moeller A, Simard C, Wang LT, Ingenito EP, McKee C, Lu Y, Lekstrom-Himes J, Elborn JS: Tezacaftor-Ivacaftor in Patients with Cystic Fibrosis Homozygous for Phe508del. N Engl J Med. 2017 Nov 23;377(21):2013-2023. doi: 10.1056/NEJMoa1709846. Epub 2017 Nov 3.@@Saint-Criq V, Gray MA: Role of CFTR in epithelial physiology. Cell Mol Life Sci. 2017 Jan;74(1):93-115. doi: 10.1007/s00018-016-2391-y. Epub 2016 Oct 6."	Approved; Investigational	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Dioxoles; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO					22963	347828077	D11041				Tezacaftor	CHEMBL3544914	1999382
DB11714	Durvalumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	28214651; 29416316; 28717238; 33807678	"Bellmunt J, Powles T, Vogelzang NJ: A review on the evolution of PD-1/PD-L1 immunotherapy for bladder cancer: The future is now. Cancer Treat Rev. 2017 Mar;54:58-67. doi: 10.1016/j.ctrv.2017.01.007. Epub 2017 Feb 2.@@Faiena I, Cummings AL, Crosetti AM, Pantuck AJ, Chamie K, Drakaki A: Durvalumab: an investigational anti-PD-L1 monoclonal antibody for the treatment of urothelial carcinoma. Drug Des Devel Ther. 2018 Jan 23;12:209-215. doi: 10.2147/DDDT.S141491. eCollection 2018.@@Lee HT, Lee JY, Lim H, Lee SH, Moon YJ, Pyo HJ, Ryu SE, Shin W, Heo YS: Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab. Sci Rep. 2017 Jul 17;7(1):5532. doi: 10.1038/s41598-017-06002-8.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Programmed Death Ligand-1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antibiotics, Antineoplastic; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Programmed Death Ligand-1 Blocker; Antineoplastic and Immunomodulating Agents; Programmed Death Ligand-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins"						22909	347911229	D10808				Durvalumab		1919503
DB11718	Encorafenib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor	26586345; 29356698; 25769717	"Li Z, Jiang K, Zhu X, Lin G, Song F, Zhao Y, Piao Y, Liu J, Cheng W, Bi X, Gong P, Song Z, Meng S: Encorafenib (LGX818), a potent BRAF inhibitor, induces senescence accompanied by autophagy in BRAFV600E melanoma cells. Cancer Lett. 2016 Jan 28;370(2):332-44. doi: 10.1016/j.canlet.2015.11.015. Epub 2015 Nov 14.@@Koelblinger P, Thuerigen O, Dummer R: Development of encorafenib for BRAF-mutated advanced melanoma. Curr Opin Oncol. 2018 Mar;30(2):125-133. doi: 10.1097/CCO.0000000000000426.@@Moschos SJ, Pinnamaneni R: Targeted therapies in melanoma. Surg Oncol Clin N Am. 2015 Apr;24(2):347-58. doi: 10.1016/j.soc.2014.12.011. Epub 2015 Jan 24."	Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0000036	RAF1	P04049	RAF1_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0003790	MAPK8	P45983	MK08_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0003772	MAPK9	P45984	MK09_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0001097	MAPK10	P53779	MK10_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0004759	LIMK1	P53667	LIMK1_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0009456	LIMK2	P53671	LIMK2_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11718	Encorafenib	BE0010122	MAP2K4	P45985	MP2K4_HUMAN	inhibitor			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; B-Raf serine-threonine kinase (BRAF) inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Moderate Risk QTc-Prolonging Agents; Sulfur Compounds; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C					23572	347828081		PA166179872			Encorafenib	CHEMBL3301612	2049106
DB11726	Encenicline	BE0002341	CHRNA7	P36544	ACHA7_HUMAN	partial agonist	25438724	"Barbier AJ, Hilhorst M, Van Vliet A, Snyder P, Palfreyman MG, Gawryl M, Dgetluck N, Massaro M, Tiessen R, Timmerman W, Hilt DC: Pharmacodynamics, pharmacokinetics, safety, and tolerability of encenicline, a selective alpha7 nicotinic receptor partial agonist, in single ascending-dose and bioavailability studies. Clin Ther. 2015 Feb 1;37(2):311-24. doi: 10.1016/j.clinthera.2014.09.013. Epub 2014 Oct 14."	Investigational	1-benzothiophenes	Organic compounds; Organoheterocyclic compounds; Benzothiophenes; 1-benzothiophenes	Sulfur Compounds; Nicotinic Agonists	ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2						347828087					Encenicline	CHEMBL2151572	
DB11730	Ribociclib	BE0002216	CDK4	P11802	CDK4_HUMAN	antagonist	24045179	"Rader J, Russell MR, Hart LS, Nakazawa MS, Belcastro LT, Martinez D, Li Y, Carpenter EL, Attiyeh EF, Diskin SJ, Kim S, Parasuraman S, Caponigro G, Schnepp RW, Wood AC, Pawel B, Cole KA, Maris JM: Dual CDK4/CDK6 inhibition induces cell-cycle arrest and senescence in neuroblastoma. Clin Cancer Res. 2013 Nov 15;19(22):6173-82. doi: 10.1158/1078-0432.CCR-13-1675.  Epub 2013 Sep 17."	Approved; Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1					22938	347828089	D10883	PA166153470			Ribociclib	CHEMBL3545110	1873916
DB11730	Ribociclib	BE0002212	CDK6	Q00534	CDK6_HUMAN	antagonist	24045179	"Rader J, Russell MR, Hart LS, Nakazawa MS, Belcastro LT, Martinez D, Li Y, Carpenter EL, Attiyeh EF, Diskin SJ, Kim S, Parasuraman S, Caponigro G, Schnepp RW, Wood AC, Pawel B, Cole KA, Maris JM: Dual CDK4/CDK6 inhibition induces cell-cycle arrest and senescence in neuroblastoma. Clin Cancer Res. 2013 Nov 15;19(22):6173-82. doi: 10.1158/1078-0432.CCR-13-1675.  Epub 2013 Sep 17."	Approved; Investigational	Pyridinylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Amines; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1					22938	347828089	D10883	PA166153470			Ribociclib	CHEMBL3545110	1873916
DB11731	Depatuxizumab mafodotin	BE0000143	TUBB	P07437	TBB5_HUMAN	nucleotide exchange blocker	2211617; 27518442	"Bai RL, Pettit GR, Hamel E: Binding of dolastatin 10 to tubulin at a distinct site for peptide antimitotic agents near the exchangeable nucleotide and vinca alkaloid sites. J Biol Chem. 1990 Oct 5;265(28):17141-9.@@Waight AB, Bargsten K, Doronina S, Steinmetz MO, Sussman D, Prota AE: Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. PLoS One. 2016 Aug 12;11(8):e0160890. doi: 10.1371/journal.pone.0160890. eCollection 2016."	Investigational			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347828090					Depatuxizumab_mafodotin		
DB11731	Depatuxizumab mafodotin	BE0000767	EGFR	P00533	EGFR_HUMAN	antibody	26846818	"Phillips AC, Boghaert ER, Vaidya KS, Mitten MJ, Norvell S, Falls HD, DeVries PJ, Cheng D, Meulbroek JA, Buchanan FG, McKay LM, Goodwin NC, Reilly EB: ABT-414, an Antibody-Drug Conjugate Targeting a Tumor-Selective EGFR Epitope. Mol Cancer Ther. 2016 Apr;15(4):661-9. doi: 10.1158/1535-7163.MCT-15-0901. Epub 2016 Feb 4."	Investigational			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347828090					Depatuxizumab_mafodotin		
DB11732	Lasmiditan	BE0000460	HTR1F	P30939	5HT1F_HUMAN	agonist	25584073	"Reuter U, Israel H, Neeb L: The pharmacological profile and clinical prospects of the oral 5-HT1F receptor agonist lasmiditan in the acute treatment of migraine. Ther Adv Neurol Disord. 2015 Jan;8(1):46-54. doi: 10.1177/1756285614562419."	Approved; Investigational	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Cytochrome P-450 CYP2D6 Inhibitors; Serotonin (5-HT) 1F Receptor Agonists; Amides; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; MATE 1 Inhibitors; Antidepressive Agents; BCRP/ABCG2 Inhibitors; Central Nervous System Depressants; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; P-glycoprotein inhibitors; MATE inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Serotonin Agents; MATE 2 Inhibitors; Antimigraine Preparations; Neurotransmitter Agents; OCT1 inhibitors; Nervous System	CN1CCC(CC1)C(=O)C1=CC=CC(NC(=O)C2=C(F)C=C(F)C=C2F)=N1						347828091					Lasmiditan	CHEMBL3039520	2256930
DB11737	Icotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist			Experimental; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP3A5 Inducers (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Antineoplastic Agents; Ethers, Cyclic; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Crown Compounds; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates"	C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1						347828095		PA166114460			Icotinib	CHEMBL2087361	
DB11752	Bryostatin 1	BE0001132	PRKCA	P17252	KPCA_HUMAN	activator	29693282	"Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11752	Bryostatin 1	BE0003431	PRKCE	Q02156	KPCE_HUMAN	activator	29693282	"Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11752	Bryostatin 1	BE0003460	CASP8	Q14790	CASP8_HUMAN	inhibitor	29693282	"Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11752	Bryostatin 1	BE0009525	PRKD1	Q15139	KPCD1_HUMAN	activator	18765827	"Jaggi M, Chauhan SC, Du C, Balaji KC: Bryostatin 1 modulates beta-catenin subcellular localization and transcription activity through protein kinase D1 activation. Mol Cancer Ther. 2008 Sep;7(9):2703-12. doi: 10.1158/1535-7163.MCT-08-0119. Epub 2008 Sep 2."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11752	Bryostatin 1	BE0000846	CD86	P42081	CD86_HUMAN	inducer	29440425	"Kornberg MD, Smith MD, Shirazi HA, Calabresi PA, Snyder SH, Kim PM: Bryostatin-1 alleviates experimental multiple sclerosis. Proc Natl Acad Sci U S A. 2018 Feb 27;115(9):2186-2191. doi: 10.1073/pnas.1719902115. Epub 2018 Feb 12."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11755	Tetrahydrocannabivarin	BE0005802	GPR55	Q9Y2T6	GPR55_HUMAN	partial agonist	28120232; 22027819	"Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4.@@Anavi-Goffer S, Baillie G, Irving AJ, Gertsch J, Greig IR, Pertwee RG, Ross RA: Modulation of L-alpha-lysophosphatidylinositol/GPR55 mitogen-activated protein kinase (MAPK) signaling by cannabinoids. J Biol Chem. 2012 Jan 2;287(1):91-104. doi: 10.1074/jbc.M111.296020. Epub 2011 Oct 25."	Investigational	"2,2-dimethyl-1-benzopyrans"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents	CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1						347828110					Tetrahydrocannabivarin	CHEMBL2387541	
DB11755	Tetrahydrocannabivarin	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN	antagonist	28120232	"Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4."	Investigational	"2,2-dimethyl-1-benzopyrans"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents	CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1						347828110					Tetrahydrocannabivarin	CHEMBL2387541	
DB11755	Tetrahydrocannabivarin	BE0001122	TRPA1	O75762	TRPA1_HUMAN	agonist	28120232	"Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4."	Investigational	"2,2-dimethyl-1-benzopyrans"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents	CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1						347828110					Tetrahydrocannabivarin	CHEMBL2387541	
DB11755	Tetrahydrocannabivarin	BE0000095	CNR2	P34972	CNR2_HUMAN	partial agonist	28120232	"Morales P, Hurst DP, Reggio PH: Molecular Targets of the Phytocannabinoids: A Complex Picture. Prog Chem Org Nat Prod. 2017;103:103-131. doi: 10.1007/978-3-319-45541-9_4."	Investigational	"2,2-dimethyl-1-benzopyrans"	Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans	Serotonin Agents; Central Nervous System Depressants; Serotonin Receptor Agonists; Agents that produce hypertension; Serotonin 5-HT1 Receptor Agonists; Antidepressive Agents	CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1						347828110					Tetrahydrocannabivarin	CHEMBL2387541	
DB11757	Istradefylline	BE0000013	ADORA1	P30542	AA1R_HUMAN	antagonist	23700273	"Dungo R, Deeks ED: Istradefylline: first global approval. Drugs. 2013 Jun;73(8):875-82. doi: 10.1007/s40265-013-0066-7."	Approved; Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Purinergic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Anti-Parkinson Drugs; Purinergic P1 Receptor Antagonists; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; MATE 2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Adenosine A2 Receptor Antagonists; Purinergic Antagonists"	[H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC						347828111					Istradefylline	CHEMBL431770	2199015
DB11760	Talazoparib	BE0001717	PARP1	P09874	PARP1_HUMAN	inhibitor	26652717	"Wang B, Chu D, Feng Y, Shen Y, Aoyagi-Scharber M, Post LE: Discovery and Characterization of (8S,9R)-5-Fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-te trahydro-3H-pyrido[4,3,2-de]phthalazin-3-one (BMN 673, Talazoparib), a Novel, Highly Potent, and Orally Efficacious Poly(ADP-ribose) Polymerase-1/2 Inhibitor, as an Anticancer Agent. J Med Chem. 2016 Jan 14;59(1):335-57. doi: 10.1021/acs.jmedchem.5b01498. Epub 2015 Dec 23."	Approved; Investigational	Phenylquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines	BCRP/ABCG2 Substrates; Pyridazines; Antineoplastic and Immunomodulating Agents; Enzyme Inhibitors; Poly(ADP-ribose) Polymerase Inhibitors; Narrow Therapeutic Index Drugs; P-glycoprotein substrates with a Narrow Therapeutic Index; Poly (ADP-ribose) polymerase (PARP) inhibitors; P-glycoprotein substrates; Antineoplastic Agents	CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1					23356	347828114					Talazoparib	CHEMBL3137320	2099704
DB11761	Tenapanor	BE0009757	SLC9A3	P48764	SL9A3_HUMAN	inhibitor			Approved; Investigational	4-phenyltetrahydroisoquinolines	Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines; 4-phenyltetrahydroisoquinolines	"Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Sodium-Hydrogen Exchanger 3 Inhibitor; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP3A4 Substrates; Sodium/Hydrogen Exchanger 3 (NHE3) Inhibitors; Alimentary Tract and Metabolism; Drugs for Constipation"	CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2					23443	347828115					Tenapanor	CHEMBL3304485	2199674
DB11763	Momelotinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	31450973	"Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11763	Momelotinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	31450973	"Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11763	Momelotinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	31450973	"Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11763	Momelotinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor	31450973	"Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11763	Momelotinib	BE0000264	ACVR1	Q04771	ACVR1_HUMAN	inhibitor	31450973	"Xu L, Feng J, Gao G, Tang H: Momelotinib for the treatment of myelofibrosis. Expert Opin Pharmacother. 2019 Nov;20(16):1943-1951. doi: 10.1080/14656566.2019.1657093. Epub 2019 Aug 26."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11763	Momelotinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	34768286	"Azhar M, Kincaid Z, Kesarwani M, Ahmed A, Wunderlich M, Latif T, Starczynowski D, Azam M: Momelotinib is a highly potent inhibitor of FLT3-mutant AML. Blood Adv. 2022 Feb 22;6(4):1186-1192. doi: 10.1182/bloodadvances.2021004611."	Approved; Investigational	Phenylpyrimidines	Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives	"Cytochrome P-450 CYP2B6 Inhibitors; UGT1A1 Inducers; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2B6 Inhibitors (weak); Acids, Carbocyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Cytochrome P-450 CYP1A2 Substrates"	O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1						347828117					Momelotinib	CHEMBL1078178	2665204
DB11767	Sarilumab	BE0002859	IL6R	P08887	IL6RA_HUMAN	antagonist	24297381; 27464017; 28264816; 28707587; 26392750	"Huizinga TW, Fleischmann RM, Jasson M, Radin AR, van Adelsberg J, Fiore S, Huang X, Yancopoulos GD, Stahl N, Genovese MC: Sarilumab, a fully human monoclonal antibody against IL-6Ralpha in patients with rheumatoid arthritis and an inadequate response to methotrexate: efficacy and safety results from the randomised SARIL-RA-MOBILITY Part A trial. Ann Rheum Dis. 2014 Sep;73(9):1626-34. doi: 10.1136/annrheumdis-2013-204405. Epub 2013 Dec 2.@@June RR, Olsen NJ: Room for more IL-6 blockade? Sarilumab for the treatment of rheumatoid arthritis. Expert Opin Biol Ther. 2016 Oct;16(10):1303-9. doi: 10.1080/14712598.2016.1217988. Epub 2016 Aug 8.@@Smolen JS, Landewe R, Bijlsma J, Burmester G, Chatzidionysiou K, Dougados M, Nam J, Ramiro S, Voshaar M, van Vollenhoven R, Aletaha D, Aringer M, Boers M, Buckley CD, Buttgereit F, Bykerk V, Cardiel M, Combe B, Cutolo M, van Eijk-Hustings Y, Emery P, Finckh A, Gabay C, Gomez-Reino J, Gossec L, Gottenberg JE, Hazes JMW, Huizinga T, Jani M, Karateev D, Kouloumas M, Kvien T, Li Z, Mariette X, McInnes I, Mysler E, Nash P, Pavelka K, Poor G, Richez C, van Riel P, Rubbert-Roth A, Saag K, da Silva J, Stamm T, Takeuchi T, Westhovens R, de Wit M, van der Heijde D: EULAR recommendations for the management of rheumatoid arthritis with synthetic and biological disease-modifying antirheumatic drugs: 2016 update. Ann Rheum Dis. 2017 Jun;76(6):960-977. doi: 10.1136/annrheumdis-2016-210715. Epub 2017 Mar 6.@@Kampan NC, Xiang SD, McNally OM, Stephens AN, Quinn MA, Plebanski M: Immunotherapeutic Interleukin-6 or Interleukin-6 receptor blockade in cancer: challenges and opportunities. Curr Med Chem. 2017 Jul 12. doi: 10.2174/0929867324666170712160621.@@Lin P: Targeting interleukin-6 for noninfectious uveitis. Clin Ophthalmol. 2015 Sep 11;9:1697-702. doi: 10.2147/OPTH.S68595. eCollection 2015."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Immunoproteins; Globulins; Cytochrome P-450 CYP3A4 Inhibitors (weak); Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors; Antibodies; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Biologics for Rheumatoid Arthritis Treatment; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Proteins; Cytochrome P-450 CYP3A4 Inducers; Disease-modifying Antirheumatic Agents; Cytochrome P-450 CYP3A4 Inhibitors; Immunoglobulins; Cytochrome P-450 CYP3A4 Inducers (weak); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A Inducers; Antirheumatic Agents; Blood Proteins"						22840	347911238					Sarilumab		1923319
DB11772	Pilaralisib	BE0002379	PIK3CA	P42336	PK3CA_HUMAN				Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Heterocyclic Compounds, Fused-Ring; Sulfones; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Sulfur Compounds; Amides"	COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1						347828124						CHEMBL3360203	
DB11781	Tosedostat	BE0003419	NPEPPS	P55786	PSA_HUMAN				Investigational	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1						347828131						CHEMBL2103847	
DB11781	Tosedostat	BE0001680	LTA4H	P09960	LKHA4_HUMAN				Investigational	N-acyl-alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Amines; Enzyme Inhibitors; Hydroxy Acids; Hydroxylamines; Amino Acids, Peptides, and Proteins"	CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1						347828131						CHEMBL2103847	
DB11791	Capmatinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor			Approved; Investigational	Quinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives	"Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Benzoates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Acids, Carbocyclic; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Mesenchymal Epithelial Transition Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1					23733	347828140					Capmatinib	CHEMBL3188267	2362165
DB11793	Niraparib	BE0001717	PARP1	P09874	PARP1_HUMAN	inhibitor	30073633	"Heo YA, Duggan ST: Niraparib: A Review in Ovarian Cancer. Target Oncol. 2018 Aug;13(4):533-539. doi: 10.1007/s11523-018-0582-1."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"MATE 1 Substrates; MATE 2 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Poly (ADP-ribose) polymerase (PARP) inhibitors; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Pyrazoles; Cytochrome P-450 CYP1A2 Inducers (weak); Narrow Therapeutic Index Drugs; MATE substrates"	NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1					23270	347828142		PA166131610			Niraparib	CHEMBL1094636	1918231
DB11800	Tivozanib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	32234426; 32547647	"Wang J, Bruin MAC, Gan C, Lebre MC, Rosing H, Beijnen JH, Schinkel AH: Brain accumulation of tivozanib is restricted by ABCB1 (P-glycoprotein) and ABCG2 (breast cancer resistance protein) in mice. Int J Pharm. 2020 May 15;581:119277. doi: 10.1016/j.ijpharm.2020.119277. Epub 2020 Mar 28.@@Salgia NJ, Zengin ZB, Pal SK: Tivozanib in renal cell carcinoma: a new approach to previously treated disease. Ther Adv Med Oncol. 2020 May 22;12:1758835920923818. doi: 10.1177/1758835920923818. eCollection 2020."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	32234426; 32547647	"Wang J, Bruin MAC, Gan C, Lebre MC, Rosing H, Beijnen JH, Schinkel AH: Brain accumulation of tivozanib is restricted by ABCB1 (P-glycoprotein) and ABCG2 (breast cancer resistance protein) in mice. Int J Pharm. 2020 May 15;581:119277. doi: 10.1016/j.ijpharm.2020.119277. Epub 2020 Mar 28.@@Salgia NJ, Zengin ZB, Pal SK: Tivozanib in renal cell carcinoma: a new approach to previously treated disease. Ther Adv Med Oncol. 2020 May 22;12:1758835920923818. doi: 10.1177/1758835920923818. eCollection 2020."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	32234426; 32547647	"Wang J, Bruin MAC, Gan C, Lebre MC, Rosing H, Beijnen JH, Schinkel AH: Brain accumulation of tivozanib is restricted by ABCB1 (P-glycoprotein) and ABCG2 (breast cancer resistance protein) in mice. Int J Pharm. 2020 May 15;581:119277. doi: 10.1016/j.ijpharm.2020.119277. Epub 2020 Mar 28.@@Salgia NJ, Zengin ZB, Pal SK: Tivozanib in renal cell carcinoma: a new approach to previously treated disease. Ther Adv Med Oncol. 2020 May 22;12:1758835920923818. doi: 10.1177/1758835920923818. eCollection 2020."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	33101775; 31496820	"Kalathil SG, Wang K, Hutson A, Iyer R, Thanavala Y: Tivozanib mediated inhibition of c-Kit/SCF signaling on Tregs and MDSCs and reversal of tumor induced immune suppression correlates with survival of HCC patients. Oncoimmunology. 2020 Sep 30;9(1):1824863. doi: 10.1080/2162402X.2020.1824863.@@Yalcin S, Lacin S: Impact of tivozanib on patient outcomes in treatment of advanced renal cell carcinoma. Cancer Manag Res. 2019 Aug 16;11:7779-7785. doi: 10.2147/CMAR.S206105. eCollection 2019."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	31496820; 24019545	"Yalcin S, Lacin S: Impact of tivozanib on patient outcomes in treatment of advanced renal cell carcinoma. Cancer Manag Res. 2019 Aug 16;11:7779-7785. doi: 10.2147/CMAR.S206105. eCollection 2019.@@Motzer RJ, Nosov D, Eisen T, Bondarenko I, Lesovoy V, Lipatov O, Tomczak P, Lyulko O, Alyasova A, Harza M, Kogan M, Alekseev BY, Sternberg CN, Szczylik C, Cella D, Ivanescu C, Krivoshik A, Strahs A, Esteves B, Berkenblit A, Hutson TE: Tivozanib versus sorafenib as initial targeted therapy for patients with metastatic renal cell carcinoma: results from a phase III trial. J Clin Oncol. 2013 Oct 20;31(30):3791-9. doi: 10.1200/JCO.2012.47.4940. Epub 2013 Sep 9."	Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0003379	TEK	Q02763	TIE2_HUMAN				Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11800	Tivozanib	BE0000915	MET	P08581	MET_HUMAN	inhibitor			Approved; Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Enzyme Inhibitors; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Amides; Benzene Derivatives; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1						347828149					Tivozanib	CHEMBL1289494	2534233
DB11811	Arhalofenate	BE0000215	PPARG	P37231	PPARG_HUMAN		17519293	"Chang F, Jaber LA, Berlie HD, O'Connell MB: Evolution of peroxisome proliferator-activated receptor agonists. Ann Pharmacother. 2007 Jun;41(6):973-83. Epub 2007 May 22."	Investigational	Phenoxyacetic acid derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives	"Acids, Carbocyclic; Acids, Acyclic; Amides; Acetates"	CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1						347828158						CHEMBL2103824	
DB11817	Baricitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	28255337; 27028914; 30871014	"Kuriya B, Cohen MD, Keystone E: Baricitinib in rheumatoid arthritis: evidence-to-date and clinical potential. Ther Adv Musculoskelet Dis. 2017 Feb;9(2):37-44. doi: 10.1177/1759720X16687481. Epub 2017 Jan 23.@@Genovese MC, Kremer J, Zamani O, Ludivico C, Krogulec M, Xie L, Beattie SD, Koch AE, Cardillo TE, Rooney TP, Macias WL, de Bono S, Schlichting DE, Smolen JS: Baricitinib in Patients with Refractory Rheumatoid Arthritis. N Engl J Med. 2016 Mar 31;374(13):1243-52. doi: 10.1056/NEJMoa1507247.@@Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037."	Approved; Investigational	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines"	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					22971	347828164	D10308				Baricitinib	CHEMBL2105759	2047232
DB11817	Baricitinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	27028914; 28255337; 30871014	"Genovese MC, Kremer J, Zamani O, Ludivico C, Krogulec M, Xie L, Beattie SD, Koch AE, Cardillo TE, Rooney TP, Macias WL, de Bono S, Schlichting DE, Smolen JS: Baricitinib in Patients with Refractory Rheumatoid Arthritis. N Engl J Med. 2016 Mar 31;374(13):1243-52. doi: 10.1056/NEJMoa1507247.@@Kuriya B, Cohen MD, Keystone E: Baricitinib in rheumatoid arthritis: evidence-to-date and clinical potential. Ther Adv Musculoskelet Dis. 2017 Feb;9(2):37-44. doi: 10.1177/1759720X16687481. Epub 2017 Jan 23.@@Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037."	Approved; Investigational	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines"	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					22971	347828164	D10308				Baricitinib	CHEMBL2105759	2047232
DB11817	Baricitinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	30871014	"Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037."	Approved; Investigational	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines"	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					22971	347828164	D10308				Baricitinib	CHEMBL2105759	2047232
DB11817	Baricitinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor	30871014	"Mayence A, Vanden Eynde JJ: Baricitinib: A 2018 Novel FDA-Approved Small Molecule Inhibiting Janus Kinases. Pharmaceuticals (Basel). 2019 Mar 12;12(1). pii: ph12010037. doi: 10.3390/ph12010037."	Approved; Investigational	"Pyrrolo[2,3-d]pyrimidines"	"Organic compounds; Organoheterocyclic compounds; Pyrrolopyrimidines; Pyrrolo[2,3-d]pyrimidines"	"MATE 2 Substrates; OCT2 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; Amides; OAT1/SLC22A6 inhibitors; Janus Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Drugs that are Mainly Renally Excreted; Disease-modifying Antirheumatic Agents; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; OAT3/SLC22A8 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; MATE 2 Substrates with a Narrow Therapeutic Index; Sulfur Compounds; Narrow Therapeutic Index Drugs; Antirheumatic Agents; MATE substrates; Azetines"	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1					22971	347828164	D10308				Baricitinib	CHEMBL2105759	2047232
DB11823	Esketamine	BE0000417	GRIN2B	Q13224	NMDE2_HUMAN	antagonist	29736744	"Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3."	Approved; Investigational	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System"	CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl					23459	347828170	D07283				Esketamine	CHEMBL395091	2119365
DB11823	Esketamine	BE0003394	BDNF	P23560	BDNF_HUMAN	agonist	29736744; 24103211; 22407616	"Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3.@@Haile CN, Murrough JW, Iosifescu DV, Chang LC, Al Jurdi RK, Foulkes A, Iqbal S, Mahoney JJ 3rd, De La Garza R 2nd, Charney DS, Newton TF, Mathew SJ: Plasma brain derived neurotrophic factor (BDNF) and response to ketamine in treatment-resistant depression. Int J Neuropsychopharmacol. 2014 Feb;17(2):331-6. doi: 10.1017/S1461145713001119. Epub 2013 Oct 8.@@Autry AE, Monteggia LM: Brain-derived neurotrophic factor and neuropsychiatric disorders. Pharmacol Rev. 2012 Apr;64(2):238-58. doi: 10.1124/pr.111.005108. Epub 2012 Mar 8."	Approved; Investigational	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System"	CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl					23459	347828170	D07283				Esketamine	CHEMBL395091	2119365
DB11823	Esketamine	BE0003605	NTRK2	Q16620	NTRK2_HUMAN		29736744; 22407616; 28755104	"Molero P, Ramos-Quiroga JA, Martin-Santos R, Calvo-Sanchez E, Gutierrez-Rojas L, Meana JJ: Antidepressant Efficacy and Tolerability of Ketamine and Esketamine: A Critical Review. CNS Drugs. 2018 May;32(5):411-420. doi: 10.1007/s40263-018-0519-3.@@Autry AE, Monteggia LM: Brain-derived neurotrophic factor and neuropsychiatric disorders. Pharmacol Rev. 2012 Apr;64(2):238-58. doi: 10.1124/pr.111.005108. Epub 2012 Mar 8.@@van de Loo AJAE, Bervoets AC, Mooren L, Bouwmeester NH, Garssen J, Zuiker R, van Amerongen G, van Gerven J, Singh J, der Ark PV, Fedgchin M, Morrison R, Wajs E, Verster JC: The effects of intranasal esketamine (84 mg) and oral mirtazapine (30 mg) on on-road driving performance: a double-blind, placebo-controlled study. Psychopharmacology (Berl). 2017 Nov;234(21):3175-3183. doi: 10.1007/s00213-017-4706-6. Epub 2017 Jul 28."	Approved; Investigational	Chlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Anesthetics, General; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists; Antidepressive Agents; Miscellaneous Antidepressants; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cycloparaffins; Central Nervous System Depressants; Cytochrome P-450 Substrates; Psychoanaleptics; Anesthetics; Cytochrome P-450 CYP3A4 Inducers; Cyclohexanes; NMDA Receptor Antagonists; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Antidepressive Agents Indicated for Depression; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Psychotropic Drugs; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Nervous System"	CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl					23459	347828170	D07283				Esketamine	CHEMBL395091	2119365
DB11828	Neratinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Enzyme Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N					23331	347828174					Neratinib	CHEMBL180022	1940643
DB11830	Mocetinostat	BE0002365	HDAC1	Q13547	HDAC1_HUMAN		17455259; 17868033	"Beckers T, Burkhardt C, Wieland H, Gimmnich P, Ciossek T, Maier T, Sanders K: Distinct pharmacological properties of second generation HDAC inhibitors with the benzamide or hydroxamate head group. Int J Cancer. 2007 Sep 1;121(5):1138-48.@@Khan N, Jeffers M, Kumar S, Hackett C, Boldog F, Khramtsov N, Qian X, Mills E, Berghs SC, Carey N, Finn PW, Collins LS, Tumber A, Ritchie JW, Jensen PB, Lichenstein HS, Sehested M: Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors. Biochem J. 2008 Jan 15;409(2):581-9."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents"	NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1						347828176					Mocetinostat	CHEMBL272980	
DB11830	Mocetinostat	BE0002366	HDAC2	Q92769	HDAC2_HUMAN		17868033	"Khan N, Jeffers M, Kumar S, Hackett C, Boldog F, Khramtsov N, Qian X, Mills E, Berghs SC, Carey N, Finn PW, Collins LS, Tumber A, Ritchie JW, Jensen PB, Lichenstein HS, Sehested M: Determination of the class and isoform selectivity of small-molecule histone deacetylase inhibitors. Biochem J. 2008 Jan 15;409(2):581-9."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents"	NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1						347828176					Mocetinostat	CHEMBL272980	
DB11837	Osilodrostat	BE0003542	CYP11B2	P19099	C11B2_HUMAN	inhibitor	27481775	"Weldon SM, Cerny MA, Gueneva-Boucheva K, Cogan D, Guo X, Moss N, Parmentier JH, Richman JR, Reinhart GA, Brown NF: Selectivity of BI 689648, a Novel, Highly Selective Aldosterone Synthase Inhibitor: Comparison with FAD286 and LCI699 in Nonhuman Primates. J Pharmacol Exp Ther. 2016 Oct;359(1):142-50. doi: 10.1124/jpet.116.236463. Epub 2016 Aug 1."	Approved; Investigational	Benzonitriles	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; OCT2 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP11B2, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Antiadrenal Preparations; Cytochrome P-450 CYP2B6 Substrates; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Anticorticosteroids; MATE inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2E1 Inhibitors; OAT3/SLC22A8 Inhibitors; UGT1A4 substrates; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P450 11B1 Inhibitors; Cortisol Synthesis Inhibitors"	FC1=C(C=CC(=C1)C#N)[C@H]1CCC2=CN=CN12						347828182					Osilodrostat	CHEMBL3099695	2286252
DB11840	Dalotuzumab	BE0000858	IGF1R	P08069	IGF1R_HUMAN	antibody	25290091	"Brana I, Berger R, Golan T, Haluska P, Edenfield J, Fiorica J, Stephenson J, Martin LP, Westin S, Hanjani P, Jones MB, Almhanna K, Wenham RM, Sullivan DM, Dalton WS, Gunchenko A, Cheng JD, Siu LL, Gray JE: A parallel-arm phase I trial of the humanised anti-IGF-1R antibody dalotuzumab in combination with the AKT inhibitor MK-2206, the mTOR inhibitor ridaforolimus, or the NOTCH inhibitor MK-0752, in patients with advanced solid tumours. Br J Cancer. 2014 Nov 11;111(10):1932-44. doi: 10.1038/bjc.2014.497. Epub 2014 Oct 7."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911246					Dalotuzumab		1432293
DB11841	Entinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	21282301; 16391874; 12411399; 12678732; 15843570; 22468166	"Dunoyer-Geindre S, Kruithof EK: Epigenetic control of tissue-type plasminogen activator synthesis in human endothelial cells. Cardiovasc Res. 2011 Jun 1;90(3):457-63. doi: 10.1093/cvr/cvr028. Epub 2011 Jan 31.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Rossig L, Li H, Fisslthaler B, Urbich C, Fleming I, Forstermann U, Zeiher AM, Dimmeler S: Inhibitors of histone deacetylation downregulate the expression of endothelial nitric oxide synthase and compromise endothelial cell function in vasorelaxation and angiogenesis. Circ Res. 2002 Nov 1;91(9):837-44. doi: 10.1161/01.res.0000037983.07158.b1.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921.@@Wang Y, Curry HM, Zwilling BS, Lafuse WP: Mycobacteria inhibition of IFN-gamma induced HLA-DR gene expression by up-regulating histone deacetylation at the promoter region in human THP-1 monocytic cells. J Immunol. 2005 May 1;174(9):5687-94. doi: 10.4049/jimmunol.174.9.5687.@@Huang PH, Plass C, Chen CS: Effects of Histone Deacetylase Inhibitors on Modulating H3K4 Methylation Marks - A Novel Cross-Talk Mechanism between Histone-Modifying Enzymes. Mol Cell Pharmacol. 2011;3(2):39-43."	Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"Histone deacetylase (HDAC) inhibitors; Antineoplastic and Immunomodulating Agents; QTc Prolonging Agents; Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Histone Deacetylase Inhibitors; Moderate Risk QTc-Prolonging Agents; Amides; Benzene Derivatives; Antineoplastic Agents"	NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1						347828185					Entinostat	CHEMBL27759	
DB11850	Ublituximab	BE0000066	MS4A1	P11836	CD20_HUMAN	binder	32351164; 18302712; 23958919	"Fox E, Lovett-Racke AE, Gormley M, Liu Y, Petracca M, Cocozza S, Shubin R, Wray S, Weiss MS, Bosco JA, Power SA, Mok K, Inglese M: A phase 2 multicenter study of ublituximab, a novel glycoengineered anti-CD20 monoclonal antibody, in patients with relapsing forms of multiple sclerosis. Mult Scler. 2021 Mar;27(3):420-429. doi: 10.1177/1352458520918375. Epub 2020 Apr 30.@@de Romeuf C, Dutertre CA, Le Garff-Tavernier M, Fournier N, Gaucher C, Glacet A, Jorieux S, Bihoreau N, Behrens CK, Beliard R, Vieillard V, Cazin B, Bourel D, Prost JF, Teillaud JL, Merle-Beral H: Chronic lymphocytic leukaemia cells are efficiently killed by an anti-CD20 monoclonal antibody selected for improved engagement of FcgammaRIIIA/CD16. Br J Haematol. 2008 Mar;140(6):635-43. doi: 10.1111/j.1365-2141.2007.06974.x.@@Le Garff-Tavernier M, Herbi L, de Romeuf C, Nguyen-Khac F, Davi F, Grelier A, Boudjoghra M, Maloum K, Choquet S, Urbain R, Vieillard V, Merle-Beral H: Antibody-dependent cellular cytotoxicity of the optimized anti-CD20 monoclonal antibody ublituximab on chronic lymphocytic leukemia cells with the 17p deletion. Leukemia. 2014 Jan;28(1):230-3. doi: 10.1038/leu.2013.240. Epub 2013 Aug 20."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; CD20-directed Cytolytic Antibody; Immunoproteins; Selective Immunosuppressants; Proteins; Globulins; Blood Proteins; Leukemia, Lymphocytic, Chronic, B-Cell, drug therapy; Amino Acids, Peptides, and Proteins"							347911248					Ublituximab		2626349
DB11853	Relugolix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist			Approved; Investigational	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas	"Anti-Gonadotropin-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; Hormone Antagonists and Related Agents; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Hormone Antagonists; Benzene Derivatives; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; P-glycoprotein substrates; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Antiandrogens; Prostatic Neoplasms, drug therapy; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hypothalamic Hormones; Cytochrome P-450 CYP3A Inducers; Pyrimidines; Receptors, LHRH, antagonists & inhibitors; Cytochrome P-450 CYP3A7 Substrates; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"	CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)C)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=C(OC)N=N1					23873	347828195					Relugolix	CHEMBL1800159	2472778
DB11855	Revefenacin	BE0004890	CHRM1	P08912	ACM5_HUMAN	antagonist	29736245; 26109098; 8441331	"Hegde SS, Pulido-Rios MT, Luttmann MA, Foley JJ, Hunsberger GE, Steinfeld T, Lee T, Ji Y, Mammen MM, Jasper JR: Pharmacological properties of revefenacin (TD-4208), a novel, nebulized long-acting, and lung selective muscarinic antagonist, at human recombinant muscarinic receptors and in rat, guinea pig, and human isolated airway tissues. Pharmacol Res Perspect. 2018 Apr 30;6(3):e00400. doi: 10.1002/prp2.400. eCollection 2018 Jun.@@Melani AS: Long-acting muscarinic antagonists. Expert Rev Clin Pharmacol. 2015;8(4):479-501. doi: 10.1586/17512433.2015.1058154.@@Barnes PJ: Muscarinic receptor subtypes in airways. Life Sci. 1993;52(5-6):521-7."	Approved; Investigational	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	BCRP/ABCG2 Substrates; Anticholinergic Agents; Muscarinic Antagonists; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 Substrates; OATP1B3 substrates; OATP1B1/SLCO1B1 Substrates; Bronchodilator Agents; Amides; Drugs for Obstructive Airway Diseases; Benzene Derivatives; P-glycoprotein substrates	CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1						347828196					Revefenacin	CHEMBL3833319	2102775
DB11859	Brexanolone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Progesterone Congeners; Pregnenes; Carbohydrates; Antidepressive Agents; GABA Agents; Central Nervous System Depressants; Psychoanaleptics; Anesthetics; Starch; Steroids; Hormones; Fused-Ring Compounds; Gonadal Hormones; Neuroactive Steroid Gamma-Aminobutyric Acid A Receptor Positive Modulator; GABA Modulators; Corpus Luteum Hormones; Gonadal Steroid Hormones; Central Nervous System Agents; Pharmaceutical Preparations; Dietary Carbohydrates; Polysaccharides; Pregnenediones; Neurotransmitter Agents; Dextrins; Nervous System; Glucans; Neuroactive Steroid Gamma-Aminobutyric Acid (GABA) A Receptor Positive Modulators; Cyclodextrins; Anticonvulsants; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O						347828198					Allopregnanolone	CHEMBL207538	2121777
DB11886	Infigratinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1					23657	347828222					Infigratinib	CHEMBL1852688	2550729
DB11886	Infigratinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1					23657	347828222					Infigratinib	CHEMBL1852688	2550729
DB11886	Infigratinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1					23657	347828222					Infigratinib	CHEMBL1852688	2550729
DB11901	Apalutamide	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	antagonist	22266222	"Clegg NJ, Wongvipat J, Joseph JD, Tran C, Ouk S, Dilhas A, Chen Y, Grillot K, Bischoff ED, Cai L, Aparicio A, Dorow S, Arora V, Shao G, Qian J, Zhao H, Yang G, Cao C, Sensintaffar J, Wasielewska T, Herbert MR, Bonnefous C, Darimont B, Scher HI, Smith-Jones P, Klang M, Smith ND, De Stanchina E, Wu N, Ouerfelli O, Rix PJ, Heyman RA, Jung ME, Sawyers CL, Hager JH: ARN-509: a novel antiandrogen for prostate cancer treatment. Cancer Res. 2012 Mar 15;72(6):1494-503. doi: 10.1158/0008-5472.CAN-11-3948. Epub 2012 Jan 20."	Approved; Investigational	Phenylimidazolidines	Organic compounds; Organoheterocyclic compounds; Azolidines; Imidazolidines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (strong); MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; OATP1B1/SLCO1B1 Inducers; Cytochrome P-450 Substrates; Androgen Receptor Inhibitors; Imidazoles; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Antineoplastic Agents; Antiandrogens; MATE inhibitors; Prostatic Neoplasms, drug therapy; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C19 Inducers (strong); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Endocrine Therapy; MATE 2 Inhibitors; Imidazolidines; Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Hormone Antagonists and Related Agents; BCRP/ABCG2 Inducers"	CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F					22964	347828234					Apalutamide	CHEMBL3183409	1999574
DB11921	Deflazacort	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	7494809	"Mollmann H, Hochhaus G, Rohatagi S, Barth J, Derendorf H: Pharmacokinetic/pharmacodynamic evaluation of deflazacort in comparison to methylprednisolone and prednisolone. Pharm Res. 1995 Jul;12(7):1096-100."	Approved; Investigational	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Corticosteroids for Systemic Use"	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O						347828252	D03671				Deflazacort	CHEMBL1201891	22396
DB11928	Vosoritide	BE0000997	NPR2	P20594	ANPRB_HUMAN	agonist			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Peptide Hormones; Amino Acids, Peptides, and Proteins; Peptides; Drugs for Treatment of Bone Diseases; C-type Natriuretic Peptide Analog; Natriuretic Peptides; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"							347911258					Vosoritide		2586354
DB11936	Bempedoic acid	BE0009867	ACLY	P53396	ACLY_HUMAN	inhibitor	29609755; 27663902	"Saeed A, Ballantyne CM: Bempedoic Acid (ETC-1002): A Current Review. Cardiol Clin. 2018 May;36(2):257-264. doi: 10.1016/j.ccl.2017.12.007. Epub 2018 Feb 21.@@Bilen O, Ballantyne CM: Bempedoic Acid (ETC-1002): an Investigational Inhibitor of ATP Citrate Lyase. Curr Atheroscler Rep. 2016 Oct;18(10):61. doi: 10.1007/s11883-016-0611-4."	Approved; Investigational	Long-chain fatty acids	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates	"OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; UGT2B7 substrates; Lipid Modifying Agents; Enzyme Inhibitors; Lipid Modifying Agents, Plain; OATP1B3 substrates; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Adenosine Triphosphate-Citrate Lyase Inhibitors; Hypolipidemic Agents; Lipid Regulating Agents; Adenosine Triphosphate-Citrate Lyase Inhibitor"	CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O						347828263					Bempedoic_acid	CHEMBL3545313	2282403
DB11937	Kynurenic Acid	BE0003721	AHR	P35869	AHR_HUMAN		20106948	"DiNatale BC, Murray IA, Schroeder JC, Flaveny CA, Lahoti TS, Laurenzana EM, Omiecinski CJ, Perdew GH: Kynurenic acid is a potent endogenous aryl hydrocarbon receptor ligand that synergistically induces interleukin-6 in the presence of inflammatory signaling. Toxicol Sci. 2010 May;115(1):89-97. doi: 10.1093/toxsci/kfq024. Epub 2010 Jan 27."	Investigational	Quinoline carboxylic acids	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids	"Excitatory Amino Acid Agents; Hydroxyquinolines; Xanthurenates; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents; Quinolines"	OC(=O)C1=CC(=O)C2=CC=CC=C2N1						347828264						CHEMBL299155	
DB11937	Kynurenic Acid	BE0005562	GPR35	Q9HC97	GPR35_HUMAN		20826425	"Zhao P, Sharir H, Kapur A, Cowan A, Geller EB, Adler MW, Seltzman HH, Reggio PH, Heynen-Genel S, Sauer M, Chung TD, Bai Y, Chen W, Caron MG, Barak LS, Abood ME: Targeting of the orphan receptor GPR35 by pamoic acid: a potent activator of extracellular signal-regulated kinase and beta-arrestin2 with antinociceptive activity. Mol Pharmacol. 2010 Oct;78(4):560-8. doi: 10.1124/mol.110.066746. Epub 2010 Jul 22."	Investigational	Quinoline carboxylic acids	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids	"Excitatory Amino Acid Agents; Hydroxyquinolines; Xanthurenates; Heterocyclic Compounds, Fused-Ring; Excitatory Amino Acid Antagonists; Neurotransmitter Agents; Quinolines"	OC(=O)C1=CC(=O)C2=CC=CC=C2N1						347828264						CHEMBL299155	
DB11938	Difelikefalin	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	31702883; 32405581	"Fishbane S, Jamal A, Munera C, Wen W, Menzaghi F: A Phase 3 Trial of Difelikefalin in Hemodialysis Patients with Pruritus. N Engl J Med. 2020 Jan 16;382(3):222-232. doi: 10.1056/NEJMoa1912770. Epub 2019 Nov 8.@@Fishbane S, Mathur V, Germain MJ, Shirazian S, Bhaduri S, Munera C, Spencer RH, Menzaghi F: Randomized Controlled Trial of Difelikefalin for Chronic Pruritus in Hemodialysis Patients. Kidney Int Rep. 2020 Jan 28;5(5):600-610. doi: 10.1016/j.ekir.2020.01.006. eCollection 2020 May."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Kappa Opioid Receptor Agonist	CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O					23771	347828265					Difelikefalin	CHEMBL3989915	2569089
DB11945	Avelumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	23724846; 33807678	"Hamid O, Robert C, Daud A, Hodi FS, Hwu WJ, Kefford R, Wolchok JD, Hersey P, Joseph RW, Weber JS, Dronca R, Gangadhar TC, Patnaik A, Zarour H, Joshua AM, Gergich K, Elassaiss-Schaap J, Algazi A, Mateus C, Boasberg P, Tumeh PC, Chmielowski B, Ebbinghaus SW, Li XN, Kang SP, Ribas A: Safety and tumor responses with lambrolizumab (anti-PD-1) in melanoma. N Engl J Med. 2013 Jul 11;369(2):134-44. doi: 10.1056/NEJMoa1305133. Epub 2013 Jun 2.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Globulins; Amino Acids, Peptides, and Proteins; PD-1/PDL-1 (Programmed cell death protein 1/death ligand 1) inhibitors; Antibodies; Immunotherapy; Programmed Death Ligand-1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Programmed Death Ligand-1 Blocker; Antineoplastic and Immunomodulating Agents; Programmed Death Ligand-1-directed Antibody Interactions; Narrow Therapeutic Index Drugs; Blood Proteins"						22914	347911260					Avelumab		1875534
DB11949	Vestipitant	BE0000384	TACR1	P25103	NK1R_HUMAN		21229983	"Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Hydrocarbons, Halogenated; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Benzene Derivatives; Hydrocarbons, Fluorinated"	C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F						347828275					Vestipitant	CHEMBL522987	
DB11951	Lemborexant	BE0005865	HCRTR2	O43614	OX2R_HUMAN	antagonist			Approved; Investigational	N-arylamides	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; N-arylamides	"Orexin Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Hypnotics and Sedatives; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Psycholeptics; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP3A5 Substrates; Sleep Aids, Pharmaceutical; Sleep Initiation and Maintenance Disorders; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Neurotransmitter Agents; Nervous System"	CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1					23527	347828277					Lemborexant	CHEMBL3545367	2272403
DB11952	Duvelisib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	24244039; 28945111; 28388280	"Boyle DL, Kim HR, Topolewski K, Bartok B, Firestein GS: Novel phosphoinositide 3-kinase delta,gamma inhibitor: potent anti-inflammatory effects and joint protection in models of rheumatoid arthritis. J Pharmacol Exp Ther. 2014 Feb;348(2):271-80. doi: 10.1124/jpet.113.205955. Epub 2013 Nov 15.@@Lampson BL, Brown JR: PI3Kdelta-selective and PI3Kalpha/delta-combinatorial inhibitors in clinical development for B-cell non-Hodgkin lymphoma. Expert Opin Investig Drugs. 2017 Nov;26(11):1267-1279. doi: 10.1080/13543784.2017.1384815. Epub 2017 Oct 6.@@Vangapandu HV, Jain N, Gandhi V: Duvelisib: a phosphoinositide-3 kinase delta/gamma inhibitor for chronic lymphocytic leukemia. Expert Opin Investig Drugs. 2017 May;26(5):625-632. doi: 10.1080/13543784.2017.1312338. Epub 2017 Apr 13."	Approved; Investigational	Isoquinolones and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives; Isoquinolones and derivatives	"BCRP/ABCG2 Substrates; Kinase Inhibitor; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1						347828278	D10555				Duvelisib	CHEMBL3039502	2058509
DB11962	GSK-1059615	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	28881606; 30765226	"Xie J, Li Q, Ding X, Gao Y: GSK1059615 kills head and neck squamous cell carcinoma cells possibly via activating mitochondrial programmed necrosis pathway. Oncotarget. 2017 Feb 7;8(31):50814-50823. doi: 10.18632/oncotarget.15135. eCollection 2017 Aug 1.@@Bei S, Li F, Li H, Li J, Zhang X, Sun Q, Feng L: Inhibition of gastric cancer cell growth by a PI3K-mTOR dual inhibitor GSK1059615. Biochem Biophys Res Commun. 2019 Mar 26;511(1):13-20. doi: 10.1016/j.bbrc.2019.02.032. Epub 2019 Feb 11."	Investigational	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1						347828286						CHEMBL3544966	
DB11962	GSK-1059615	BE0003729	PIK3C3	Q8NEB9	PK3C3_HUMAN	inhibitor	32610557	"Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726."	Investigational	Bipyridines and oligopyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines		O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1						347828286						CHEMBL3544966	
DB11963	Dacomitinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	9751783; 23294134	"Fry DW, Bridges AJ, Denny WA, Doherty A, Greis KD, Hicks JL, Hook KE, Keller PR, Leopold WR, Loo JA, McNamara DJ, Nelson JM, Sherwood V, Smaill JB, Trumpp-Kallmeyer S, Dobrusin EM: Specific, irreversible inactivation of the epidermal growth factor receptor and erbB2, by a new class of tyrosine kinase inhibitor. Proc Natl Acad Sci U S A. 1998 Sep 29;95(20):12022-7.@@Brzezniak C, Carter CA, Giaccone G: Dacomitinib, a new therapy for the treatment of non-small cell lung cancer. Expert Opin Pharmacother. 2013 Feb;14(2):247-53. doi: 10.1517/14656566.2013.758714. Epub 2013 Jan 7."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1					23131	347828287	D09883				Dacomitinib	CHEMBL2110732	2058848
DB11967	Binimetinib	BE0000870	MAP2K1	Q02750	MP2K1_HUMAN	inhibitor			Approved; Investigational	3-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; MAP Kinase Kinase 2, antagonists & inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; UGT1A1 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Mitogen-activated protein kinase (MEK) inhibitors; Heterocyclic Compounds, Fused-Ring; P-glycoprotein substrates with a Narrow Therapeutic Index; MAP Kinase Kinase 1, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates"	CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO					23571	347828291		PA166179867			Binimetinib	CHEMBL3187723	
DB11973	Tesevatinib	BE0000953	EGF	P01133	EGF_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1						347828296					Tesevatinib	CHEMBL3544983	
DB11973	Tesevatinib	BE0002453	EPHB4	P54760	EPHB4_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1						347828296					Tesevatinib	CHEMBL3544983	
DB11973	Tesevatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Aza Compounds; Receptor, EphB4, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1						347828296					Tesevatinib	CHEMBL3544983	
DB11976	Anifrolumab	BE0000661	IFNAR1	P17181	INAR1_HUMAN	inhibitor			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Type I Interferon Receptor Antagonist; Immunoproteins; Selective Immunosuppressants; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23686	347911264					Anifrolumab		2565265
DB11978	Glasdegib	BE0004659	SMO	Q99835	SMO_HUMAN	inhibitor	24900436	"Munchhof MJ, Li Q, Shavnya A, Borzillo GV, Boyden TL, Jones CS, LaGreca SD, Martinez-Alsina L, Patel N, Pelletier K, Reiter LA, Robbins MD, Tkalcevic GT: Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened. ACS Med Chem Lett. 2011 Dec 21;3(2):106-11. doi: 10.1021/ml2002423. eCollection 2012 Feb 9."	Approved; Investigational	N-phenylureas	Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas	"QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Hedgehog Pathway Inhibitor; Smoothened Receptor Antagonists; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; UGT1A9 Substrates; Highest Risk QTc-Prolonging Agents; Hedgehog pathway inhibitors"	CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N					23451	347828300					Glasdegib	CHEMBL2043437	2105845
DB11979	Elagolix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	19006286	"Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4 -methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem. 2008 Dec 11;51(23):7478-85. doi: 10.1021/jm8006454."	Approved; Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Anti-Gonadotropin-Releasing Hormones; Gonadotropin-releasing Hormone Antagonists; OATP1B1/SLCO1B1 Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Decreased GnRH Secretion; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; Cytochrome P-450 Enzyme Inhibitors; P-glycoprotein substrates; Antigonadotropins and Similar Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hydrocarbons, Halogenated; Hypothalamic Hormones; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary and Hypothalamic Hormones and Analogues"	COC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O					22993	347828301					Elagolix	CHEMBL1208155	2049846
DB11986	Entrectinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor	30050303; 26457764; 26939704; 30425456	"Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11986	Entrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor	30050303; 26457764; 26939704; 30425456	"Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11986	Entrectinib	BE0009534	ROS1	P08922	ROS1_HUMAN	inhibitor	30050303; 26457764; 26939704; 30425456	"Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11986	Entrectinib	BE0003605	NTRK2	Q16620	NTRK2_HUMAN	inhibitor	30050303; 26457764; 26939704; 30425456	"Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11986	Entrectinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor			Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11986	Entrectinib	BE0000772	TNK2	Q07912	ACK1_HUMAN				Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB11988	Ocrelizumab	BE0000066	MS4A1	P11836	CD20_HUMAN	antagonist	27756172; 33092190	"McGinley MP, Moss BP, Cohen JA: Safety of monoclonal antibodies for the treatment of multiple sclerosis. Expert Opin Drug Saf. 2017 Jan;16(1):89-100. Epub 2016 Oct 31.@@Florou D, Katsara M, Feehan J, Dardiotis E, Apostolopoulos V: Anti-CD20 Agents for Multiple Sclerosis: Spotlight on Ocrelizumab and Ofatumumab. Brain Sci. 2020 Oct 20;10(10). pii: brainsci10100758. doi: 10.3390/brainsci10100758."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunomodulatory Agents; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; CD20-directed Cytolytic Antibody; Immunologic Factors; Immunoproteins; Selective Immunosuppressants; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; CD20-directed Antibody Interactions; Amino Acids, Peptides, and Proteins"						22888	347911266	D05218				Ocrelizumab		1876366
DB11994	Diacerein	BE0004866	CYP3A4	P24462	CP3A7_HUMAN	inhibitor	18814214	"Tang JC, Yang H, Song XY, Song XH, Yan SL, Shao JQ, Zhang TL, Zhang JN: Inhibition of cytochrome P450 enzymes by rhein in rat liver microsomes. Phytother Res. 2009 Feb;23(2):159-64. doi: 10.1002/ptr.2572."	Approved; Investigational	Anthracenecarboxylic acids	Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Musculo-Skeletal System; Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O						347828314					Diacerein	CHEMBL41286	22759
DB11994	Diacerein	BE0003533	CYP2E1	P05181	CP2E1_HUMAN	inhibitor	18814214	"Tang JC, Yang H, Song XY, Song XH, Yan SL, Shao JQ, Zhang TL, Zhang JN: Inhibition of cytochrome P450 enzymes by rhein in rat liver microsomes. Phytother Res. 2009 Feb;23(2):159-64. doi: 10.1002/ptr.2572."	Approved; Investigational	Anthracenecarboxylic acids	Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors; Quinones; Musculo-Skeletal System; Anti-Inflammatory Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Anthracenes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O						347828314					Diacerein	CHEMBL41286	22759
DB12001	Abemaciclib	BE0002216	CDK4	P11802	CDK4_HUMAN	inhibitor	24919854	"Gelbert LM, Cai S, Lin X, Sanchez-Martinez C, Del Prado M, Lallena MJ, Torres R, Ajamie RT, Wishart GN, Flack RS, Neubauer BL, Young J, Chan EM, Iversen P, Cronier D, Kreklau E, de Dios A: Preclinical characterization of the CDK4/6 inhibitor LY2835219: in-vivo cell cycle-dependent/independent anti-tumor activities alone/in combination with gemcitabine. Invest New Drugs. 2014 Oct;32(5):825-37. doi: 10.1007/s10637-014-0120-7. Epub 2014 Jun 13."	Approved; Investigational	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"MATE 1 Substrates; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Amines; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1					23185	347828320		PA166153471			Abemaciclib	CHEMBL3301610	1946825
DB12001	Abemaciclib	BE0002212	CDK6	Q00534	CDK6_HUMAN	inhibitor	24919854	"Gelbert LM, Cai S, Lin X, Sanchez-Martinez C, Del Prado M, Lallena MJ, Torres R, Ajamie RT, Wishart GN, Flack RS, Neubauer BL, Young J, Chan EM, Iversen P, Cronier D, Kreklau E, de Dios A: Preclinical characterization of the CDK4/6 inhibitor LY2835219: in-vivo cell cycle-dependent/independent anti-tumor activities alone/in combination with gemcitabine. Invest New Drugs. 2014 Oct;32(5):825-37. doi: 10.1007/s10637-014-0120-7. Epub 2014 Jun 13."	Approved; Investigational	Benzimidazoles	Organic compounds; Organoheterocyclic compounds; Benzimidazoles	"MATE 1 Substrates; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Amines; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; MATE 1 Substrates with a Narrow Therapeutic Index; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cyclin-dependent kinase (CDK) inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs; MATE substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1					23185	347828320		PA166153471			Abemaciclib	CHEMBL3301610	1946825
DB12005	Nirogacestat	BE0010960	PSEN1	P49768	PSN1_HUMAN	inhibitor	32607444; 31198028; 33284507	"Bhattarai A, Devkota S, Bhattarai S, Wolfe MS, Miao Y: Mechanisms of gamma-Secretase Activation and Substrate Processing. ACS Cent Sci. 2020 Jun 24;6(6):969-983. doi: 10.1021/acscentsci.0c00296. Epub 2020 Jun 4.@@Wolfe MS: Structure and Function of the gamma-Secretase Complex. Biochemistry. 2019 Jul 9;58(27):2953-2966. doi: 10.1021/acs.biochem.9b00401. Epub 2019 Jun 25.@@McCaw TR, Inga E, Chen H, Jaskula-Sztul R, Dudeja V, Bibb JA, Ren B, Rose JB: Gamma Secretase Inhibitors in Cancer: A Current Perspective on Clinical Performance. Oncologist. 2021 Apr;26(4):e608-e621. doi: 10.1002/onco.13627. Epub 2021 Jan 2."	Approved; Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amyloid Precursor Protein Secretases, antagonists & inhibitors; Amino Acids, Peptides, and Proteins; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Gamma Secretase Inhibitors and Modulators; Amino Acids, Branched-Chain; Cytochrome P-450 CYP2C9 Inducers (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Amino Acids; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP2C9 Inducers"	CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C						347828323					Nirogacestat	CHEMBL1770916	2670631
DB12007	Isoflavone	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist	12730403	"Mezei O, Banz WJ, Steger RW, Peluso MR, Winters TA, Shay N: Soy isoflavones exert antidiabetic and hypolipidemic effects through the PPAR pathways in obese Zucker rats and murine RAW 264.7 cells. J Nutr. 2003 May;133(5):1238-43. doi: 10.1093/jn/133.5.1238."	Experimental	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Drugs that are Mainly Renally Excreted; Pyrans; Flavonoids"	O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1						347828325					Isoflavone	CHEMBL366460	
DB12007	Isoflavone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	12730403	"Mezei O, Banz WJ, Steger RW, Peluso MR, Winters TA, Shay N: Soy isoflavones exert antidiabetic and hypolipidemic effects through the PPAR pathways in obese Zucker rats and murine RAW 264.7 cells. J Nutr. 2003 May;133(5):1238-43. doi: 10.1093/jn/133.5.1238."	Experimental	Isoflavones	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes	"Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Isoflavones; Drugs that are Mainly Renally Excreted; Pyrans; Flavonoids"	O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1						347828325					Isoflavone	CHEMBL366460	
DB12008	Prexasertib	BE0003382	CHEK1	O14757	CHK1_HUMAN	inhibitor	30771522	"Hsu WH, Zhao X, Zhu J, Kim IK, Rao G, McCutcheon J, Hsu ST, Teicher B, Kallakury B, Dowlati A, Zhang YW, Giaccone G: Checkpoint Kinase 1 Inhibition Enhances Cisplatin Cytotoxicity and Overcomes Cisplatin Resistance in SCLC by Promoting Mitotic Cell Death. J Thorac Oncol. 2019 Jun;14(6):1032-1045. doi: 10.1016/j.jtho.2019.01.028. Epub 2019 Feb 14."	Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	Enzyme Inhibitors; Protein Kinase Inhibitors	COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1						347828326					Prexasertib	CHEMBL3544911	
DB12010	Fostamatinib	BE0001316	SYK	P43405	KSYK_HUMAN	inhibitor	26516587; 16946104; 33689480	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4.@@Braselmann S, Taylor V, Zhao H, Wang S, Sylvain C, Baluom M, Qu K, Herlaar E, Lau A, Young C, Wong BR, Lovell S, Sun T, Park G, Argade A, Jurcevic S, Pine P, Singh R, Grossbard EB, Payan DG, Masuda ES: R406, an orally available spleen tyrosine kinase inhibitor blocks fc receptor signaling and reduces immune complex-mediated inflammation. J Pharmacol Exp Ther. 2006 Dec;319(3):998-1008. doi: 10.1124/jpet.106.109058. Epub 2006 Aug 31.@@Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002194	FAAH	O00519	FAAH1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000182	PDE5A	O76074	PDE5A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001646	CTSS	P25774	CATS_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002135	CTSL	P07711	CATL1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009380	RPS6KA6	Q9UK32	KS6A6_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009381	COQ8A	Q8NI60	COQ8A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009382	NIM1K	Q8IY84	NIM1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004109	STK26	Q9P289	STK26_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009383	STK24	Q9Y6E0	STK24_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009384	STK3	Q13188	STK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009385	TEC	P42680	TEC_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009386	STK33	Q9BYT3	STK33_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009389	STK38	Q15208	STK38_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009390	STK38L	Q9Y2H1	ST38L_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009391	STK39	Q9UEW8	STK39_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009392	TAOK1	Q7L7X3	TAOK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004632	TAOK2	Q9UL54	TAOK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009393	TAOK3	Q9H2K8	TAOK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009394	TBK1	Q9UHD2	TBK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003379	TEK	Q02763	TIE2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003782	TGFBR1	P36897	TGFR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001861	TGFBR2	P37173	TGFR2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009396	TIE1	P35590	TIE1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009397	TLK1	Q9UKI8	TLK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009398	TLK2	Q86UE8	TLK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009399	TNIK	Q9UKE5	TNIK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000772	TNK2	Q07912	ACK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009401	TNNI3K	Q59H18	TNI3K_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003791	TTK	P33981	TTK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009406	ULK2	Q8IYT8	ULK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000840	YES1	P07947	YES_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009408	MAP3K19	Q56UN5	M3K19_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0005595	ZAK	Q9NYL2	MLTK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009409	AAK1	Q2M2I8	AAK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000435	ABL2	P42684	ABL2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000264	ACVR1	Q04771	ACVR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000665	ACVR1B	P36896	ACV1B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009410	COQ8B	Q96D53	COQ8B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009411	ANKK1	Q8NFD2	ANKK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009412	AXL	P30530	UFO_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009413	BLK	P51451	BLK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009414	BMP2K	Q9NSY1	BMP2K_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009415	BMPR1B	O00238	BMR1B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009324	BMPR2	Q13873	BMPR2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009417	CAMK1	Q14012	KCC1A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004324	CAMK1D	Q8IU85	KCC1D_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004147	CAMK1G	Q96NX5	KCC1G_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004076	CAMK2A	Q9UQM7	KCC2A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003792	CAMK2B	Q13554	KCC2B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004108	CAMK2D	Q13557	KCC2D_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004384	CAMK2G	Q13555	KCC2G_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009418	CAMKK1	Q8N5S9	KKCC1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002641	CASK	O14936	CSKP_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002216	CDK4	P11802	CDK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009422	CDKL1	Q00532	CDKL1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003382	CHEK1	O14757	CHK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003381	CHEK2	O96017	CHK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009424	CIT	O14578	CTRO_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001824	CLK1	P49759	CLK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001356	CSK	P41240	CSK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003984	CSNK2A2	P19784	CSK22_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001776	DAPK1	P53355	DAPK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009428	DAPK2	Q9UIK4	DAPK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009429	DCLK1	O15075	DCLK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009430	DCLK2	Q8N568	DCLK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001124	DDR1	Q08345	DDR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004741	DDR2	Q16832	DDR2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004012	DYRK1A	Q13627	DYR1A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009434	EIF2AK2	P19525	E2AK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009435	EIF2AK4	Q9P2K8	E2AK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000841	EPHA2	P29317	EPHA2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009437	EPHA3	P29320	EPHA3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0005587	EPHA5	P54756	EPHA5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009439	EPHA6	Q9UF33	EPHA6_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004140	EPHA7	Q15375	EPHA7_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009441	EPHB1	P54762	EPHB1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004549	EPHB2	P29323	EPHB2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002453	EPHB4	P54760	EPHB4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004772	ERBB4	Q15303	ERBB4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003839	ERN1	O75460	ERN1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009443	FER	P16591	FER_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002386	MTOR	P42345	MTOR_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004742	FRK	P42685	FRK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000839	FYN	P06241	FYN_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001065	GSK3B	P49841	GSK3B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009447	HIPK2	Q9H2X6	HIPK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009448	HIPK3	Q9H422	HIPK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009449	ICK	Q9UPZ9	ICK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001154	IKBKB	O14920	IKKB_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000033	INSR	P06213	INSR_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004344	IRAK4	Q9NWZ3	IRAK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001341	ITK	Q08881	ITK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009454	SIK3	Q9Y2K2	SIK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009455	LATS1	O95835	LATS1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004759	LIMK1	P53667	LIMK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009456	LIMK2	P53671	LIMK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009457	LRRK2	Q5S007	LRRK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009459	MAP2K3	P46734	MP2K3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009460	MAP2K5	Q13163	MP2K5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009461	MAP2K6	P52564	MP2K6_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009464	MAP3K12	Q12852	M3K12_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009465	MAP3K13	O43283	M3K13_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009466	MAP3K15	Q6ZN16	M3K15_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004745	MAP3K2	Q9Y2U5	M3K2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009467	MAP3K3	Q99759	M3K3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009468	MAP3K4	Q9Y6R4	M3K4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004386	MAP3K9	P80192	M3K9_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009472	MAP4K3	Q8IVH8	M4K3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009473	MAP4K4	O95819	M4K4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009474	MAP4K5	Q9Y4K4	M4K5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001097	MAPK10	P53779	MK10_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001019	MAPK14	Q16539	MK14_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009476	MAPK4	P31152	MK04_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003772	MAPK9	P45984	MK09_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009478	MAPKAPK5	Q8IW41	MAPK5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009479	MARK1	Q9P0L2	MARK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009481	MARK3	P27448	MARK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009482	MARK4	Q96L34	MARK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009483	CLASP1	Q7Z460	CLAP1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009486	MELK	Q14680	MELK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004271	MERTK	Q12866	MERTK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009487	MINK1	Q8N4C8	MINK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009492	MYLK	Q15746	MYLK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009493	MYLK3	Q32MK0	MYLK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009494	MYLK4	Q86YV6	MYLK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009495	MYO3A	Q8NEV4	MYO3A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009496	NEK1	Q96PY6	NEK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004758	NEK11	Q8NG66	NEK11_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003796	NEK2	P51955	NEK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009498	NEK4	P51957	NEK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009499	NEK5	Q6P3R8	NEK5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009500	NEK9	Q8TD19	NEK9_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003605	NTRK2	Q16620	NTRK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009502	NUAK1	O60285	NUAK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009503	NUAK2	Q9H093	NUAK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009504	OXSR1	O95747	OXSR1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009505	PAK1	Q13153	PAK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009506	PAK2	Q13177	PAK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009507	PAK3	O75914	PAK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009508	PAK4	O96013	PAK4_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009510	PAK5	Q9P286	PAK5_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004077	CDK16	Q00536	CDK16_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009511	CDK17	Q00537	CDK17_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0001193	PDPK1	O15530	PDPK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000437	CDK15	Q96Q40	CDK15_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009513	PI4KB	Q9UBF8	PI4KB_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009514	PIK3C2B	O00750	P3C2B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009515	PIK3C2G	O75747	P3C2G_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009516	PIM3	Q86V86	PIM3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009517	PIP4K2B	P78356	PI42B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009521	PKN2	Q16513	PKN2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004475	PRKACB	P22694	KAPCB_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002417	PRKCD	Q05655	KPCD_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003431	PRKCE	Q02156	KPCE_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009588	PRKCG	P05129	KPCG_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003889	PRKCI	P41743	KPCI_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009525	PRKD1	Q15139	KPCD1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009526	PRKG2	Q13237	KGP2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0003090	PTK2	Q05397	FAK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000871	PTK2B	Q14289	FAK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000036	RAF1	P04049	RAF1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009530	RIOK3	O14730	RIOK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004191	ROCK2	O75116	ROCK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009534	ROS1	P08922	ROS1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004274	RPS6KA1	Q15418	KS6A1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004876	RPS6KA3	P51812	KS6A3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009535	SBK1	Q52WX2	SBK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009537	SGK3	Q96BR1	SGK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009538	SIK2	Q9H0K1	SIK2_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004041	SLK	Q9H2G2	SLK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009539	SNRK	Q9NRH2	SNRK_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009541	STK10	O94804	STK10_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009543	STK17A	Q9UEE5	ST17A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004328	STK17B	O94768	ST17B_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009544	STK32A	Q8WU08	ST32A_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12015	Alpelisib	BE0002379	PIK3CA	P42336	PK3CA_HUMAN	inhibitor	28852212; 29109464	"Chen IC, Hsiao LP, Huang IW, Yu HC, Yeh LC, Lin CH, Wei-Wu Chen T, Cheng AL, Lu YS: Phosphatidylinositol-3 Kinase Inhibitors, Buparlisib and Alpelisib, Sensitize Estrogen Receptor-positive Breast Cancer Cells to Tamoxifen. Sci Rep. 2017 Aug 29;7(1):9842. doi: 10.1038/s41598-017-10555-z.@@Yang X, Zhang X, Huang M, Song K, Li X, Huang M, Meng L, Zhang J: New Insights into PI3K Inhibitor Design using X-ray Structures of PI3Kalpha Complexed with a Potent Lead Compound. Sci Rep. 2017 Nov 6;7(1):14572. doi: 10.1038/s41598-017-15260-5."	Approved; Investigational	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Breast Neoplasms; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2C9 Inducers (moderate); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Inducers (moderate); Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Class I Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Phosphatidylinositol 3-Kinases, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F					23434	347828332					Phosphoinositide_3-kinase_inhibitor	CHEMBL2396661	2169285
DB12016	Ponesimod	BE0008652	S1PR1	P21453	S1PR1_HUMAN	agonist	24362488; 26770667; 24659797; 25519470; 26525450; 25402365; 28028771; 27558098; 33346055; 26883438; 31214480; 25046167; 25939333; 30143424; 24876379; 24704119; 26786937; 25127208	"Reyes M, Brossard P, Chassard D, Hoch M, Dingemanse J: Effects of ponesimod, a selective S1P1 receptor modulator, on the pharmacokinetics of a hormonal combination contraceptive. Eur J Clin Pharmacol. 2014 Mar;70(3):287-93. doi: 10.1007/s00228-013-1625-2. Epub 2013 Dec 22.@@D'Ambrosio D, Freedman MS, Prinz J: Ponesimod, a selective S1P1 receptor modulator: a potential treatment for multiple sclerosis and other immune-mediated diseases. Ther Adv Chronic Dis. 2016 Jan;7(1):18-33. doi: 10.1177/2040622315617354.@@Olsson T, Boster A, Fernandez O, Freedman MS, Pozzilli C, Bach D, Berkani O, Mueller MS, Sidorenko T, Radue EW, Melanson M: Oral ponesimod in relapsing-remitting multiple sclerosis: a randomised phase II trial. J Neurol Neurosurg Psychiatry. 2014 Nov;85(11):1198-208. doi: 10.1136/jnnp-2013-307282. Epub 2014 Mar 21.@@D'Ambrosio D, Steinmann J, Brossard P, Dingemanse J: Differential effects of ponesimod, a selective S1P1 receptor modulator, on blood-circulating human T cell subpopulations. Immunopharmacol Immunotoxicol. 2015 Feb;37(1):103-9. doi: 10.3109/08923973.2014.993084.@@Guerard N, Zwingelstein C, Hoch M, Dingemanse J: Effect of Hepatic or Renal Impairment on the Pharmacokinetics, Safety, and Tolerability of Ponesimod, a Selective S1P1 Receptor Modulator. Basic Clin Pharmacol Toxicol. 2016 May;118(5):356-68. doi: 10.1111/bcpt.12516. Epub 2015 Dec 10.@@Reyes M, Hoch M, Brossard P, Dingemanse J: Effects of ethnicity and sex on the pharmacokinetics and pharmacodynamics of the selective sphingosine-1-phosphate receptor 1 modulator ponesimod: a clinical study in Japanese and Caucasian subjects. Pharmacology. 2014;94(5-6):223-9. doi: 10.1159/000368837. Epub 2014 Nov 14.@@Lott D, Krause A, Seemayer CA, Strasser DS, Dingemanse J, Lehr T: Modeling the Effect of the Selective S1P1 Receptor Modulator Ponesimod on Subsets of Blood Lymphocytes. Pharm Res. 2017 Mar;34(3):599-609. doi: 10.1007/s11095-016-2087-x. Epub 2016 Dec 27.@@Juif PE, Hoch M, Vaclavkova A, Krause A, Bush J, Dingemanse J: Mitigation of Initial Cardiodynamic Effects of the S1P1 Receptor Modulator Ponesimod Using a Novel Up-Titration Regimen. J Clin Pharmacol. 2017 Mar;57(3):401-410. doi: 10.1002/jcph.820. Epub 2016 Sep 30.@@Fauzyah Y, Ono C, Torii S, Anzai I, Suzuki R, Izumi T, Morioka Y, Maeda Y, Okamoto T, Fukuhara T, Matsuura Y: Ponesimod suppresses hepatitis B virus infection by inhibiting endosome maturation. Antiviral Res. 2021 Feb;186:104999. doi: 10.1016/j.antiviral.2020.104999. Epub 2020 Dec 18.@@Boehler M, Juif PE, Hoch M, Dingemanse J: Absolute Bioavailability of Ponesimod, a Selective S1P1 Receptor Modulator, in Healthy Male Subjects. Eur J Drug Metab Pharmacokinet. 2017 Feb;42(1):129-134. doi: 10.1007/s13318-016-0325-6.@@Pouzol L, Piali L, Bernard CC, Martinic MM, Steiner B, Clozel M: Therapeutic Potential of Ponesimod Alone and in Combination with Dimethyl Fumarate in Experimental Models of Multiple Sclerosis. Innov Clin Neurosci. 2019 Mar 1;16(3-4):22-30.@@Hoch M, D'Ambrosio D, Wilbraham D, Brossard P, Dingemanse J: Clinical pharmacology of ponesimod, a selective S1P(1) receptor modulator, after uptitration to supratherapeutic doses in healthy subjects. Eur J Pharm Sci. 2014 Oct 15;63:147-53. doi: 10.1016/j.ejps.2014.07.005. Epub 2014 Jul 19.@@Juif PE, Hoch M, D'Ambrosio D, Dingemanse J: Biocomparison of Three Formulations of the S1P1 Receptor Modulator Ponesimod in Healthy Subjects. Drugs R D. 2015 Jun;15(2):203-10. doi: 10.1007/s40268-015-0095-7.@@Bell M, Foley D, Naylor C, Robinson C, Riley J, Epemolu O, Scullion P, Shishikura Y, Katz E, McLean WHI, Wyatt P, Read KD, Woodland A: Discovery of super soft-drug modulators of sphingosine-1-phosphate receptor 1. Bioorg Med Chem Lett. 2018 Oct 15;28(19):3255-3259. doi: 10.1016/j.bmcl.2018.07.044. Epub 2018 Jul 30.@@Janes K, Little JW, Li C, Bryant L, Chen C, Chen Z, Kamocki K, Doyle T, Snider A, Esposito E, Cuzzocrea S, Bieberich E, Obeid L, Petrache I, Nicol G, Neumann WL, Salvemini D: The development and maintenance of paclitaxel-induced neuropathic pain require activation of the sphingosine 1-phosphate receptor subtype 1. J Biol Chem. 2014 Jul 25;289(30):21082-97. doi: 10.1074/jbc.M114.569574.@@Gatfield J, Monnier L, Studer R, Bolli MH, Steiner B, Nayler O: Sphingosine-1-phosphate (S1P) displays sustained S1P1 receptor agonism and signaling through S1P lyase-dependent receptor recycling. Cell Signal. 2014 Jul;26(7):1576-88. doi: 10.1016/j.cellsig.2014.03.029. Epub 2014 Apr 2.@@Borodzicz S, Rudnicka L, Mirowska-Guzel D, Cudnoch-Jedrzejewska A: The role of epidermal sphingolipids in dermatologic diseases. Lipids Health Dis. 2016 Jan 19;15:13. doi: 10.1186/s12944-016-0178-7.@@Vaclavkova A, Chimenti S, Arenberger P, Hollo P, Sator PG, Burcklen M, Stefani M, D'Ambrosio D: Oral ponesimod in patients with chronic plaque psoriasis: a randomised, double-blind, placebo-controlled phase 2 trial. Lancet. 2014 Dec 6;384(9959):2036-45. doi: 10.1016/S0140-6736(14)60803-5. Epub 2014 Aug 10."	Approved; Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	"Immunomodulatory Agents; Cytochrome P-450 CYP3A5 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT2B7 substrates; Cytochrome P-450 Substrates; Immunologic Factors; Receptors, Lysosphingolipid, antagonists & inhibitors; UGT1A1 Substrates; Selective Immunosuppressants; Cytochrome P-450 CYP3A Substrates; Sulfur Compounds; Sphingosine 1 Phosphate Receptor Modulators; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates"	CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C1=CC=CC=C1C					23589	347828333					Ponesimod	CHEMBL1096146	2532300
DB12023	Benralizumab	BE0003471	IL5RA	Q01344	IL5RA_HUMAN	antibody	22136436; 23866823; 28913336	"Ghazi A, Trikha A, Calhoun WJ: Benralizumab--a humanized mAb to IL-5Ralpha with enhanced antibody-dependent cell-mediated cytotoxicity--a novel approach for the treatment of asthma. Expert Opin Biol Ther. 2012 Jan;12(1):113-8. doi: 10.1517/14712598.2012.642359. Epub 2011 Dec 5.@@Laviolette M, Gossage DL, Gauvreau G, Leigh R, Olivenstein R, Katial R, Busse WW, Wenzel S, Wu Y, Datta V, Kolbeck R, Molfino NA: Effects of benralizumab on airway eosinophils in asthmatic patients with sputum eosinophilia. J Allergy Clin Immunol. 2013 Nov;132(5):1086-1096.e5. doi: 10.1016/j.jaci.2013.05.020. Epub 2013 Jul 16.@@Bagnasco D, Ferrando M, Varricchi G, Puggioni F, Passalacqua G, Canonica GW: Anti-Interleukin 5 (IL-5) and IL-5Ra Biological Drugs: Efficacy, Safety, and Future Perspectives in Severe Eosinophilic Asthma. Front Med (Lausanne). 2017 Aug 31;4:135. doi: 10.3389/fmed.2017.00135. eCollection 2017."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Respiratory System Agents; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Anti-Asthmatic Agents; Interleukin 5 Receptor alpha-directed Antibody Interactions; Interleukin Antagonists; Interleukin-5 Receptor alpha-directed Cytolytic Antibody; Proteins; Drugs for Obstructive Airway Diseases; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						22934	347911271					Benralizumab		
DB12034	Gantenerumab	BE0003392	APP	P05067	A4_HUMAN	antagonist	21955818; 21987394	"Bohrmann B, Baumann K, Benz J, Gerber F, Huber W, Knoflach F, Messer J, Oroszlan K, Rauchenberger R, Richter WF, Rothe C, Urban M, Bardroff M, Winter M, Nordstedt C, Loetscher H: Gantenerumab: a novel human anti-Abeta antibody demonstrates sustained cerebral amyloid-beta binding and elicits cell-mediated removal of human amyloid-beta. J Alzheimers Dis. 2012;28(1):49-69. doi: 10.3233/JAD-2011-110977.@@Ostrowitzki S, Deptula D, Thurfjell L, Barkhof F, Bohrmann B, Brooks DJ, Klunk WE, Ashford E, Yoo K, Xu ZX, Loetscher H, Santarelli L: Mechanism of amyloid removal in patients with Alzheimer disease treated with gantenerumab. Arch Neurol. 2012 Feb;69(2):198-207. doi: 10.1001/archneurol.2011.1538. Epub 2011 Oct 10."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911273					Gantenerumab		
DB12061	Pardoprunox	BE0000756	DRD2	P14416	DRD2_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Heterocyclic Compounds, Fused-Ring"	CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1						347828370					Pardoprunox	CHEMBL2103832	
DB12061	Pardoprunox	BE0000581	DRD3	P35462	DRD3_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Heterocyclic Compounds, Fused-Ring"	CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1						347828370					Pardoprunox	CHEMBL2103832	
DB12077	Urelumab	BE0003463	TNFRSF9	Q07011	TNR9_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911279					Urelumab		
DB12093	Tetrahydropalmatine	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	17361394	"Mantsch JR, Li SJ, Risinger R, Awad S, Katz E, Baker DA, Yang Z: Levo-tetrahydropalmatine attenuates cocaine self-administration and cocaine-induced reinstatement in rats. Psychopharmacology (Berl). 2007 Jul;192(4):581-91. Epub 2007 Mar 15."	Investigational	Protoberberine alkaloids and derivatives	Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives	"Sensory System Agents; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Antipsychotic Agents; Cardiovascular Agents; Central Nervous System Depressants; Agents causing hyperkalemia; Cytochrome P-450 Substrates; Calcium Channel Blockers; Alkaloids; Dopamine Antagonists; Membrane Transport Modulators; Dopamine D2 Receptor Antagonists; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Analgesics, Non-Narcotic; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Analgesics; Neurotoxic agents; Benzylisoquinolines; Antiarrhythmic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Bradycardia-Causing Agents; Adrenergic Agents; Dopamine Agents"	COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC						347828397					Tetrahydropalmatine	CHEMBL487182	
DB12095	Telotristat ethyl	BE0000080	TPH2	Q8IWU9	TPH2_HUMAN	antagonist	25012985	"Kulke MH, O'Dorisio T, Phan A, Bergsland E, Law L, Banks P, Freiman J, Frazier K, Jackson J, Yao JC, Kvols L, Lapuerta P, Zambrowicz B, Fleming D, Sands A: Telotristat etiprate, a novel serotonin synthesis inhibitor, in patients with carcinoid syndrome and diarrhea not adequately controlled by octreotide. Endocr Relat Cancer. 2014 Oct;21(5):705-14. doi: 10.1530/ERC-14-0173. Epub 2014 Jul 10."	Approved; Investigational	Phenylalanine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Antidiarrheals; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); UGT2B7 inducers; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Tryptophan Hydroxylase Inhibitor; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors	CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1					23002	347828399					Telotristat_ethyl	CHEMBL2105695	1872441
DB12098	L-Baclofen	BE0000217	GABBR1	Q9UBS5	GABR1_HUMAN	agonist	9770340	"Malitschek B, Ruegg D, Heid J, Kaupmann K, Bittiger H, Frostl W, Bettler B, Kuhn R: Developmental changes of agonist affinity at GABABR1 receptor variants in rat brain. Mol Cell Neurosci. 1998 Sep;12(1-2):56-64. doi: 10.1006/mcne.1998.0698."	Investigational	Gamma amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		NC[C@@H](CC(O)=O)C1=CC=C(Cl)C=C1						347828402						CHEMBL302213	
DB12110	m-Chlorophenylpiperazine	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	7984284	"Gibson EL, Barnfield AM, Curzon G: Evidence that mCPP-induced anxiety in the plus-maze is mediated by postsynaptic 5-HT2C receptors but not by sympathomimetic effects. Neuropharmacology. 1994 Mar-Apr;33(3-4):457-65."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Serotonin Agents; Central Nervous System Depressants; Neurotransmitter Agents; Serotonin Receptor Agonists; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Serotonin 5-HT2 Receptor Agonists	ClC1=CC(=CC=C1)N1CCNCC1						347828411						CHEMBL478	
DB12114	Poziotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	27188206	"Han JY, Lee KH, Kim SW, Min YJ, Cho E, Lee Y, Lee SH, Kim HY, Lee GK, Nam BH, Han H, Jung J, Lee JS: A Phase II Study of Poziotinib in Patients with Epidermal Growth Factor Receptor (EGFR)-Mutant Lung Adenocarcinoma Who Have Acquired Resistance to EGFR-Tyrosine Kinase Inhibitors. Cancer Res Treat. 2017 Jan;49(1):10-19. doi: 10.4143/crt.2016.058. Epub 2016 May 3."	Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring"	COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1						347828415					Poziotinib	CHEMBL3545154	
DB12116	Epigallocatechin gallate	BE0003721	AHR	P35869	AHR_HUMAN		11064004	"Williams SN, Shih H, Guenette DK, Brackney W, Denison MS, Pickwell GV, Quattrochi LC: Comparative studies on the effects of green tea extracts and individual tea catechins on human CYP1A gene expression. Chem Biol Interact. 2000 Nov 1;128(3):211-29."	Investigational	Catechin gallates	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Antioxidants; Chromones; Anticarcinogenic Agents; Chromans; Biological Factors; Benzopyrans; Central Nervous System Agents; Heterocyclic Compounds, Fused-Ring; Neuroprotective Agents; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Antimutagenic Agents; Protective Agents; Pyrans; Antineoplastic Agents; Flavonoids; Compounds used in a research, industrial, or household setting"	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1						347828417					Epigallocatechin_gallate	CHEMBL297453	24246
DB12116	Epigallocatechin gallate	BE0000892	DNMT1	P26358	DNMT1_HUMAN	inhibitor	14633667	"Fang MZ, Wang Y, Ai N, Hou Z, Sun Y, Lu H, Welsh W, Yang CS: Tea polyphenol (-)-epigallocatechin-3-gallate inhibits DNA methyltransferase and reactivates methylation-silenced genes in cancer cell lines. Cancer Res. 2003 Nov 15;63(22):7563-70."	Investigational	Catechin gallates	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Antioxidants; Chromones; Anticarcinogenic Agents; Chromans; Biological Factors; Benzopyrans; Central Nervous System Agents; Heterocyclic Compounds, Fused-Ring; Neuroprotective Agents; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Antimutagenic Agents; Protective Agents; Pyrans; Antineoplastic Agents; Flavonoids; Compounds used in a research, industrial, or household setting"	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1						347828417					Epigallocatechin_gallate	CHEMBL297453	24246
DB12116	Epigallocatechin gallate	BE0004001	DHFRL1	Q86XF0	DYRL1_HUMAN		20054477	"Sanchez-del-Campo L, Saez-Ayala M, Chazarra S, Cabezas-Herrera J, Rodriguez-Lopez JN: Binding of natural and synthetic polyphenols to human dihydrofolate reductase. Int J Mol Sci. 2009 Dec 18;10(12):5398-410. doi: 10.3390/ijms10125398."	Investigational	Catechin gallates	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans	"Antioxidants; Chromones; Anticarcinogenic Agents; Chromans; Biological Factors; Benzopyrans; Central Nervous System Agents; Heterocyclic Compounds, Fused-Ring; Neuroprotective Agents; Urokinase-Type Plasminogen Activator, antagonists & inhibitors; Antimutagenic Agents; Protective Agents; Pyrans; Antineoplastic Agents; Flavonoids; Compounds used in a research, industrial, or household setting"	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1						347828417					Epigallocatechin_gallate	CHEMBL297453	24246
DB12118	Sotatercept	BE0003472	ACVR2A	P27037	AVR2A_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Immunoglobulins; Serum Globulins; Immunoglobulin G; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911284							
DB12121	Entospletinib	BE0001316	SYK	P43405	KSYK_HUMAN	inhibitor	33689480	"Zheng TJ, Lofurno ER, Melrose AR, Lakshmanan HHS, Pang J, Phillips KG, Fallon ME, Kohs TCL, Ngo ATP, Shatzel JJ, Hinds MT, McCarty OJT, Aslan JE: Assessment of the effects of Syk and BTK inhibitors on GPVI-mediated platelet signaling and function. Am J Physiol Cell Physiol. 2021 May 1;320(5):C902-C915. doi: 10.1152/ajpcell.00296.2020. Epub 2021 Mar 10."	Investigational	Phenylmorpholines	Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines	"Pyrazoles; Heterocyclic Compounds, Fused-Ring"	C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1						347828420					Syk	CHEMBL3265032	
DB12129	Tideglusib	BE0001065	GSK3B	P49841	GSK3B_HUMAN	antagonist	21760986	"Martinez A, Gil C, Perez DI: Glycogen synthase kinase 3 inhibitors in the next horizon for Alzheimer's disease treatment. Int J Alzheimers Dis. 2011;2011:280502. doi: 10.4061/2011/280502. Epub 2011 Jun 30."	Investigational; Withdrawn	Naphthalenes	Organic compounds; Benzenoids; Naphthalenes	"Sulfur Compounds; Glycogen Synthase Kinase 3, antagonists & inhibitors; Thiazoles"	O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1						347828428					Tideglusib	CHEMBL3545157	
DB12130	Lorlatinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor			Approved; Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	Amines; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Pyridines; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Organic Cation Transporter 1 Inhibitors; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Lactams; Cytochrome P-450 CYP3A Inducers	C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2					23119	347828429					Lorlatinib	CHEMBL3286830	2103164
DB12141	Gilteritinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	27775694; 26279055; 28516360	"Antar A, Otrock ZK, El-Cheikh J, Kharfan-Dabaja MA, Battipaglia G, Mahfouz R, Mohty M, Bazarbachi A: Inhibition of FLT3 in AML: a focus on sorafenib. Bone Marrow Transplant. 2017 Mar;52(3):344-351. doi: 10.1038/bmt.2016.251. Epub 2016 Oct 24.@@Thom C: Preliminary data on ASP2215: tolerability and efficacy in acute myeloid leukemia patients. Future Oncol. 2015 Sep;11(18):2499-501. doi: 10.2217/fon.15.188. Epub 2015 Aug 17.@@Mori M, Kaneko N, Ueno Y, Yamada M, Tanaka R, Saito R, Shimada I, Mori K, Kuromitsu S: Gilteritinib, a FLT3/AXL inhibitor, shows antileukemic activity in mouse models of FLT3 mutated acute myeloid leukemia. Invest New Drugs. 2017 Oct;35(5):556-565. doi: 10.1007/s10637-017-0470-z. Epub 2017 May 17."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O					23399	347828438					AXL_receptor_tyrosine_kinase	CHEMBL3301622	2105806
DB12141	Gilteritinib	BE0009412	AXL	P30530	UFO_HUMAN	inhibitor	27775694; 26279055; 28516360	"Antar A, Otrock ZK, El-Cheikh J, Kharfan-Dabaja MA, Battipaglia G, Mahfouz R, Mohty M, Bazarbachi A: Inhibition of FLT3 in AML: a focus on sorafenib. Bone Marrow Transplant. 2017 Mar;52(3):344-351. doi: 10.1038/bmt.2016.251. Epub 2016 Oct 24.@@Thom C: Preliminary data on ASP2215: tolerability and efficacy in acute myeloid leukemia patients. Future Oncol. 2015 Sep;11(18):2499-501. doi: 10.2217/fon.15.188. Epub 2015 Aug 17.@@Mori M, Kaneko N, Ueno Y, Yamada M, Tanaka R, Saito R, Shimada I, Mori K, Kuromitsu S: Gilteritinib, a FLT3/AXL inhibitor, shows antileukemic activity in mouse models of FLT3 mutated acute myeloid leukemia. Invest New Drugs. 2017 Oct;35(5):556-565. doi: 10.1007/s10637-017-0470-z. Epub 2017 May 17."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O					23399	347828438					AXL_receptor_tyrosine_kinase	CHEMBL3301622	2105806
DB12141	Gilteritinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor	27775694; 26279055; 28516360	"Antar A, Otrock ZK, El-Cheikh J, Kharfan-Dabaja MA, Battipaglia G, Mahfouz R, Mohty M, Bazarbachi A: Inhibition of FLT3 in AML: a focus on sorafenib. Bone Marrow Transplant. 2017 Mar;52(3):344-351. doi: 10.1038/bmt.2016.251. Epub 2016 Oct 24.@@Thom C: Preliminary data on ASP2215: tolerability and efficacy in acute myeloid leukemia patients. Future Oncol. 2015 Sep;11(18):2499-501. doi: 10.2217/fon.15.188. Epub 2015 Aug 17.@@Mori M, Kaneko N, Ueno Y, Yamada M, Tanaka R, Saito R, Shimada I, Mori K, Kuromitsu S: Gilteritinib, a FLT3/AXL inhibitor, shows antileukemic activity in mouse models of FLT3 mutated acute myeloid leukemia. Invest New Drugs. 2017 Oct;35(5):556-565. doi: 10.1007/s10637-017-0470-z. Epub 2017 May 17."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O					23399	347828438					AXL_receptor_tyrosine_kinase	CHEMBL3301622	2105806
DB12141	Gilteritinib	BE0004862	HTR1A	P34969	5HT7R_HUMAN	inhibitor			Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; fms-Like Tyrosine Kinase 3, antagonists & inhibitors; OCT1 inhibitors; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O					23399	347828438					AXL_receptor_tyrosine_kinase	CHEMBL3301622	2105806
DB12147	Erdafitinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	28965185; 26324363	"Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31."	Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	28965185; 26324363	"Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31."	Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	28965185; 26324363	"Nishina T, Takahashi S, Iwasawa R, Noguchi H, Aoki M, Doi T: Safety, pharmacokinetic, and pharmacodynamics of erdafitinib, a pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor, in patients with advanced or refractory solid tumors. Invest New Drugs. 2018 Jun;36(3):424-434. doi: 10.1007/s10637-017-0514-4. Epub 2017 Sep 30.@@Tabernero J, Bahleda R, Dienstmann R, Infante JR, Mita A, Italiano A, Calvo E, Moreno V, Adamo B, Gazzah A, Zhong B, Platero SJ, Smit JW, Stuyckens K, Chatterjee-Kishore M, Rodon J, Peddareddigari V, Luo FR, Soria JC: Phase I Dose-Escalation Study of JNJ-42756493, an Oral Pan-Fibroblast Growth Factor Receptor Inhibitor, in Patients With Advanced Solid Tumors. J Clin Oncol. 2015 Oct 20;33(30):3401-8. doi: 10.1200/JCO.2014.60.7341. Epub 2015 Aug 31."	Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0002411	RET	P07949	RET_HUMAN	substrate			Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	substrate			Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0000453	KIT	P10721	KIT_HUMAN	substrate			Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12147	Erdafitinib	BE0000369	KDR	P35968	VGFR2_HUMAN	substrate			Approved; Investigational	Alkyldiarylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Tumor Suppressor Proteins; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs"	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1					23382	347828443					Erdafitinib	CHEMBL3545376	2123125
DB12157	Fasinumab	BE0001094	NGF	P01138	NGF_HUMAN	inhibitor	33459118; 33293475	"Kaplon H, Reichert JM: Antibodies to watch in 2021. MAbs. 2021 Jan-Dec;13(1):1860476. doi: 10.1080/19420862.2020.1860476.@@Cao Z, Zhou J, Long Z, Li Y, Sun J, Luo Y, Wang W: Targeting nerve growth factor, a new option for treatment of osteoarthritis: a network meta-analysis of comparative efficacy and safety with traditional drugs. Aging (Albany NY). 2020 Dec 3;13(1):1051-1070. doi: 10.18632/aging.202232. Epub 2020 Dec 3."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Immunoproteins; Analgesics, Non-Narcotic; Proteins; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics"							347911291					Fasinumab		
DB12159	Dupilumab	BE0002420	IL4R	P24394	IL4RA_HUMAN	inhibitor	23688323	"Wenzel S, Ford L, Pearlman D, Spector S, Sher L, Skobieranda F, Wang L, Kirkesseli S, Rocklin R, Bock B, Hamilton J, Ming JE, Radin A, Stahl N, Yancopoulos GD, Graham N, Pirozzi G: Dupilumab in persistent asthma with elevated eosinophil levels. N Engl J Med. 2013 Jun 27;368(26):2455-66. doi: 10.1056/NEJMoa1304048. Epub 2013  May 21."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Interleukin-4 Receptor alpha Antagonist; Antibodies, Monoclonal; Immunoglobulins; Interleukin-4 Receptor alpha Subunit, antagonists & inhibitors; Serum Globulins; Immunoproteins; Agents for Dermatitis, Excluding Corticosteroids; Anti-Asthmatic Agents; Proteins; Dermatologicals; Interleukin 4 Receptor alpha Antagonists; Globulins; Blood Proteins; Misc. Skin and Mucous Membrane Agents; Amino Acids, Peptides, and Proteins"						22918	347911292					Dupilumab		1876376
DB12163	Sarpogrelate	BE0000533	HTR2C	P28335	5HT2C_HUMAN		16880620	"Muntasir HA, Takahashi J, Rashid M, Ahmed M, Komiyama T, Hossain M, Kawakami J, Nashimoto M, Nagatomo T: Site-directed mutagenesis of the serotonin 5-Hydroxytryptamine2c receptor: identification of amino acids responsible for sarpogrelate binding. Biol Pharm Bull. 2006 Aug;29(8):1645-50."	Investigational	Stilbenes	Organic compounds; Phenylpropanoids and polyketides; Stilbenes	"Cardiovascular Agents; Serotonin Agents; Dicarboxylic Acids; Central Nervous System Depressants; Neurotransmitter Agents; Hematologic Agents; Acids, Acyclic; Serotonin Receptor Antagonists; Fibrin Modulating Agents; Antidepressive Agents; Antiplatelet agents"	COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1						347828455					Sarpogrelate	CHEMBL52939	
DB12177	Eplivanserin	BE0000533	HTR2C	P28335	5HT2C_HUMAN				Investigational	Cinnamylphenols	"Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Cinnamylphenols"	"Hydrocarbons, Halogenated; Cardiovascular Agents; Serotonin Agents; Central Nervous System Depressants; Neurotransmitter Agents; Hematologic Agents; Serotonin Receptor Antagonists; Benzene Derivatives; Fibrin Modulating Agents; Antidepressive Agents; Hydrocarbons, Fluorinated"	CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F						347828464					Eplivanserin	CHEMBL257704	
DB12189	Etrolizumab	BE0003414	ITGB7	P26010	ITB7_HUMAN	binder	21232034; 30774593	"Stefanich EG, Danilenko DM, Wang H, O'Byrne S, Erickson R, Gelzleichter T, Hiraragi H, Chiu H, Ivelja S, Jeet S, Gadkari S, Hwang O, Fuh F, Looney C, Howell K, Albert V, Balazs M, Refino C, Fong S, Iyer S, Williams M: A humanized monoclonal antibody targeting the beta7 integrin selectively blocks intestinal homing of T lymphocytes. Br J Pharmacol. 2011 Apr;162(8):1855-70. doi: 10.1111/j.1476-5381.2011.01205.x.@@Lichnog C, Klabunde S, Becker E, Fuh F, Tripal P, Atreya R, Klenske E, Erickson R, Chiu H, Reed C, Chung S, Neufert C, Atreya I, McBride J, Neurath MF, Zundler S: Cellular Mechanisms of Etrolizumab Treatment in Inflammatory Bowel Disease. Front Pharmacol. 2019 Feb 1;10:39. doi: 10.3389/fphar.2019.00039. eCollection 2019."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Integrin Receptor Antagonist; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents"							347911296					Etrolizumab		
DB12191	Obatoclax	BE0000246	BCL2	P10415	BCL2_HUMAN		17505826; 17227835	"Li J, Viallet J, Haura EB: A small molecule pan-Bcl-2 family inhibitor, GX15-070, induces apoptosis and enhances cisplatin-induced apoptosis in non-small cell lung cancer cells. Cancer Chemother Pharmacol. 2008 Mar;61(3):525-34. Epub 2007 May 16.@@Perez-Galan P, Roue G, Villamor N, Campo E, Colomer D: The BH3-mimetic GX15-070 synergizes with bortezomib in mantle cell lymphoma by enhancing Noxa-mediated activation of Bak. Blood. 2007 May 15;109(10):4441-9. Epub 2007 Jan 16."	Investigational	Dipyrrins	Organic compounds; Organoheterocyclic compounds; Pyrroles; Substituted pyrroles	"Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring"	COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1						347828476					Obatoclax	CHEMBL408194	
DB12200	Tivantinib	BE0000915	MET	P08581	MET_HUMAN				Investigational	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Pyrrolidines; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3						347828485					Tivantinib	CHEMBL2103882	
DB12202	Zalutumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	15383606	"Bleeker WK, Lammerts van Bueren JJ, van Ojik HH, Gerritsen AF, Pluyter M, Houtkamp M, Halk E, Goldstein J, Schuurman J, van Dijk MA, van de Winkel JG, Parren PW: Dual mode of action of a human anti-epidermal growth factor receptor monoclonal antibody for cancer therapy. J Immunol. 2004 Oct 1;173(7):4699-707."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347911297	D10031				Zalutumumab	CHEMBL2107861	
DB12218	Capivasertib	BE0001172	AKT2	P31751	AKT2_HUMAN	inhibitor			Approved; Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; OAT3/SLC22A8 Inhibitors; Proto-Oncogene Proteins c-akt, antagonists & inhibitors; BCRP/ABCG2 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OCT2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 1 Inhibitors"	NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1						347828497					Capivasertib	CHEMBL2325741	2669967
DB12218	Capivasertib	BE0010514	AKT3	Q9Y243	AKT3_HUMAN	inhibitor			Approved; Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; OAT3/SLC22A8 Inhibitors; Proto-Oncogene Proteins c-akt, antagonists & inhibitors; BCRP/ABCG2 Inhibitors; MATE 2 Inhibitors; Cytochrome P-450 Substrates; OCT2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; MATE 1 Inhibitors"	NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1						347828497					Capivasertib	CHEMBL2325741	2669967
DB12228	Telcagepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN		20573757	"Chan KY, Edvinsson L, Eftekhari S, Kimblad PO, Kane SA, Lynch J, Hargreaves RJ, de Vries R, Garrelds IM, van den Bogaerdt AJ, Danser AH, Maassenvandenbrink A: Characterization of the calcitonin gene-related peptide receptor antagonist telcagepant (MK-0974) in human isolated coronary arteries. J Pharmacol Exp Ther. 2010 Sep 1;334(3):746-52. doi: 10.1124/jpet.110.165993. Epub 2010 Jun 23."	Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1						347828507					Telcagepant	CHEMBL236593	
DB12228	Telcagepant	BE0002370	CALCB	P10092	CALCB_HUMAN				Investigational	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1						347828507					Telcagepant	CHEMBL236593	
DB12235	Estetrol	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	32379217; 25214462; 28827141	"Gaspard U, Taziaux M, Mawet M, Jost M, Gordenne V, Coelingh Bennink HJT, Lobo RA, Utian WH, Foidart JM: A multicenter, randomized study to select the minimum effective dose of estetrol (E4) in postmenopausal women (E4Relief): part 1. Vasomotor symptoms and overall safety. Menopause. 2020 Aug;27(8):848-857. doi: 10.1097/GME.0000000000001561.@@Abot A, Fontaine C, Buscato M, Solinhac R, Flouriot G, Fabre A, Drougard A, Rajan S, Laine M, Milon A, Muller I, Henrion D, Adlanmerini M, Valera MC, Gompel A, Gerard C, Pequeux C, Mestdagt M, Raymond-Letron I, Knauf C, Ferriere F, Valet P, Gourdy P, Katzenellenbogen BS, Katzenellenbogen JA, Lenfant F, Greene GL, Foidart JM, Arnal JF: The uterine and vascular actions of estetrol delineate a distinctive profile of estrogen receptor alpha modulation, uncoupling nuclear and membrane activation. EMBO Mol Med. 2014 Oct;6(10):1328-46. doi: 10.15252/emmm.201404112.@@Benoit T, Valera MC, Fontaine C, Buscato M, Lenfant F, Raymond-Letron I, Tremollieres F, Soulie M, Foidart JM, Game X, Arnal JF: Estetrol, a Fetal Selective Estrogen Receptor Modulator, Acts on the Vagina of Mice through Nuclear Estrogen Receptor alpha Activation. Am J Pathol. 2017 Nov;187(11):2499-2507. doi: 10.1016/j.ajpath.2017.07.013. Epub 2017 Aug 19."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Estranes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Contraceptives; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Estrogens; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]					23576	347828514					Estetrol	CHEMBL1230314	2539031
DB12235	Estetrol	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	26257704	"Montt-Guevara MM, Giretti MS, Russo E, Giannini A, Mannella P, Genazzani AR, Genazzani AD, Simoncini T: Estetrol Modulates Endothelial Nitric Oxide Synthesis in Human Endothelial Cells. Front Endocrinol (Lausanne). 2015 Jul 22;6:111. doi: 10.3389/fendo.2015.00111. eCollection 2015."	Approved; Investigational	Estrogens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 Substrates; Estranes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Estrogen Contraceptives; Hormones; Fused-Ring Compounds; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Substrates; Estrogens, agonists; Contraceptives, Oral; Gonadal Steroid Hormones; Estrogens; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]					23576	347828514					Estetrol	CHEMBL1230314	2539031
DB12250	Cixutumumab	BE0000858	IGF1R	P08069	IGF1R_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Receptor, IGF Type 1; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911304					Cixutumumab		
DB12255	Vadadustat	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN	inhibitor	31477256	"Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004."	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates"	OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1						347828530					Vadadustat	CHEMBL3646221	
DB12255	Vadadustat	BE0002219	EGLN3	Q9H6Z9	EGLN3_HUMAN	inhibitor	31477256	"Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004."	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates"	OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1						347828530					Vadadustat	CHEMBL3646221	
DB12255	Vadadustat	BE0002374	HIF1A	Q16665	HIF1A_HUMAN	stabilization	31477256	"Sanghani NS, Haase VH: Hypoxia-Inducible Factor Activators in Renal Anemia: Current Clinical Experience. Adv Chronic Kidney Dis. 2019 Jul;26(4):253-266. doi: 10.1053/j.ackd.2019.04.004."	Approved; Investigational	N-acyl-alpha amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"UGT1A1 Inducers; UGT2B7 substrates; OAT3/SLC22A8 Substrates; Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors; Erythropoiesis-Stimulating Agents; Amino Acids, Peptides, and Proteins; Pyridines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Amino Acids; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (weak); OAT3/SLC22A8 Inhibitors; Antianemic Preparations; UGT1A9 Substrates; UGT1A1 Substrates"	OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1						347828530					Vadadustat	CHEMBL3646221	
DB12267	Brigatinib	BE0000359	ALK	Q9UM73	ALK_HUMAN	inhibitor	23239810; 25888090; 28597393	"Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Iragavarapu C, Mustafa M, Akinleye A, Furqan M, Mittal V, Cang S, Liu D: Novel ALK inhibitors in clinical use and development. J Hematol Oncol. 2015 Feb 27;8:17. doi: 10.1186/s13045-015-0122-8.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	23239810; 25888090; 28597393	"Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Iragavarapu C, Mustafa M, Akinleye A, Furqan M, Mittal V, Cang S, Liu D: Novel ALK inhibitors in clinical use and development. J Hematol Oncol. 2015 Feb 27;8:17. doi: 10.1186/s13045-015-0122-8.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000858	IGF1R	P08069	IGF1R_HUMAN	inhibitor	23239810; 28597393	"Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	23239810; 28597393	"Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000033	INSR	P06213	INSR_HUMAN	binding			Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor			Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0004772	ERBB4	Q15303	ERBB4_HUMAN	inhibitor			Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12267	Brigatinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	inhibitor			Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12274	Aducanumab	BE0003392	APP	P05067	A4_HUMAN	antagonist	29686315; 33199898; 27582220	"Arndt JW, Qian F, Smith BA, Quan C, Kilambi KP, Bush MW, Walz T, Pepinsky RB, Bussiere T, Hamann S, Cameron TO, Weinreb PH: Structural and kinetic basis for the selectivity of aducanumab for aggregated forms of amyloid-beta. Sci Rep. 2018 Apr 23;8(1):6412. doi: 10.1038/s41598-018-24501-0.@@Uhlmann RE, Rother C, Rasmussen J, Schelle J, Bergmann C, Ullrich Gavilanes EM, Fritschi SK, Buehler A, Baumann F, Skodras A, Al-Shaana R, Beschorner N, Ye L, Kaeser SA, Obermuller U, Christensen S, Kartberg F, Stavenhagen JB, Rahfeld JU, Cynis H, Qian F, Weinreb PH, Bussiere T, Walker LC, Staufenbiel M, Jucker M: Acute targeting of pre-amyloid seeds in transgenic mice reduces Alzheimer-like pathology later in life. Nat Neurosci. 2020 Dec;23(12):1580-1588. doi: 10.1038/s41593-020-00737-w. Epub 2020 Nov 16.@@Sevigny J, Chiao P, Bussiere T, Weinreb PH, Williams L, Maier M, Dunstan R, Salloway S, Chen T, Ling Y, O'Gorman J, Qian F, Arastu M, Li M, Chollate S, Brennan MS, Quintero-Monzon O, Scannevin RH, Arnold HM, Engber T, Rhodes K, Ferrero J, Hang Y, Mikulskis A, Grimm J, Hock C, Nitsch RM, Sandrock A: The antibody aducanumab reduces Abeta plaques in Alzheimer's disease. Nature. 2016 Sep 1;537(7618):50-6. doi: 10.1038/nature19323."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Anti-Dementia Drugs; Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Amyloid Beta-directed Antibodies; Immunoproteins; Psychoanaleptics; Alzheimer Disease, drug therapy; Nervous System; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911309					Aducanumab		2557218
DB12278	Propiverine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12278	Propiverine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12278	Propiverine	BE0000247	CHRM5	P08912	ACM5_HUMAN		16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12278	Propiverine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12278	Propiverine	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist			Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12284	LY-2608204	BE0003382	CHEK1	O14757	CHK1_HUMAN	inhibitor	32610557	"Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726."	Investigational	Phenylacetamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides	Sulfur Compounds; Enzyme Activators	O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1						347828552							
DB12305	Dasotraline	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN				Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	Amines; Cycloparaffins; Naphthalenes	N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12						347828570					Dasotraline	CHEMBL3301595	
DB12305	Dasotraline	BE0000749	SLC6A4	P31645	SC6A4_HUMAN				Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	Amines; Cycloparaffins; Naphthalenes	N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12						347828570					Dasotraline	CHEMBL3301595	
DB12305	Dasotraline	BE0000486	SLC6A2	P23975	SC6A2_HUMAN				Investigational	Tetralins	Organic compounds; Benzenoids; Tetralins	Amines; Cycloparaffins; Naphthalenes	N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12						347828570					Dasotraline	CHEMBL3301595	
DB12307	Foretinib	BE0001121	HGF	P14210	HGF_HUMAN				Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Aniline Compounds; Heterocyclic Compounds, Fused-Ring; Amines; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Amides"	COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1						347828572					Foretinib	CHEMBL1230609	
DB12307	Foretinib	BE0000369	KDR	P35968	VGFR2_HUMAN				Investigational	Diarylethers	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers	"Aniline Compounds; Heterocyclic Compounds, Fused-Ring; Amines; Receptors, Vascular Endothelial Growth Factor, antagonists & inhibitors; Tyrosine Kinase Inhibitors; Amides"	COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1						347828572					Foretinib	CHEMBL1230609	
DB12317	Vanucizumab	BE0010028	ANGPT2	O15123	ANGP2_HUMAN	regulator	26938715	"Tampellini M, Sonetto C, Scagliotti GV: Novel anti-angiogenic therapeutic strategies in colorectal cancer. Expert Opin Investig Drugs. 2016;25(5):507-20. doi: 10.1517/13543784.2016.1161754. Epub 2016 Mar 24."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347911315					Vanucizumab		
DB12319	Benzbromarone	BE0003536	CYP2C19	P33261	CP2CJ_HUMAN	inhibitor	15615526	"Locuson CW 2nd, Suzuki H, Rettie AE, Jones JP: Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem. 2004 Dec 30;47(27):6768-76."	Investigational; Withdrawn	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Antigout Preparations; Musculo-Skeletal System; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Benzofurans; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Preparations Increasing Uric Acid Excretion; Antirheumatic Agents; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Uricosuric Agents; BSEP/ABCB11 Substrates"	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1						347828582	D01056				Benzbromarone	CHEMBL388590	1385
DB12328	Cantharidin	BE0003721	AHR	P35869	AHR_HUMAN	agonist	14644660	"Zhang S, Qin C, Safe SH: Flavonoids as aryl hydrocarbon receptor agonists/antagonists: effects of structure and cell context. Environ Health Perspect. 2003 Dec;111(16):1877-82."	Approved; Investigational	Furofurans	Organic compounds; Organoheterocyclic compounds; Furofurans	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Irritants; Benzofurans; Toxic Actions; Noxae; Compounds used in a research, industrial, or household setting"	[H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C					4322	347828590					Cantharidin	CHEMBL48449	1984
DB12332	Rucaparib	BE0001717	PARP1	P09874	PARP1_HUMAN	inhibitor	28790837; 27087632	"Dockery LE, Gunderson CC, Moore KN: Rucaparib: the past, present, and future of a newly approved PARP inhibitor for ovarian cancer. Onco Targets Ther. 2017 Jun 19;10:3029-3037. doi: 10.2147/OTT.S114714. eCollection 2017.@@Jenner ZB, Sood AK, Coleman RL: Evaluation of rucaparib and companion diagnostics in the PARP inhibitor landscape for recurrent ovarian cancer therapy. Future Oncol. 2016 Jun;12(12):1439-56. doi: 10.2217/fon-2016-0002. Epub 2016 Apr 18."	Approved; Investigational	2-phenylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (weak); Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Poly (ADP-ribose) polymerase (PARP) inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (weak); OAT1/SLC22A6 inhibitors; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Poly(ADP-ribose) Polymerase Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A7 Inhibitors; Antineoplastic and Immunomodulating Agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; OCT1 inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Inducers (moderate); Cytochrome P-450 CYP1A2 Substrates"	CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3						347828593	D10079	PA166163418			Rucaparib	CHEMBL1173055	1862579
DB12334	Milataxel	BE0000143	TUBB	P07437	TBB5_HUMAN		16505100	"Hari M, Loganzo F, Annable T, Tan X, Musto S, Morilla DB, Nettles JH, Snyder JP, Greenberger LM: Paclitaxel-resistant cells have a mutation in the paclitaxel-binding region of beta-tubulin (Asp26Glu) and less stable microtubules. Mol Cancer Ther. 2006 Feb;5(2):270-8."	Investigational	Taxanes and derivatives	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Cycloparaffins; Diterpenes; Cyclodecanes; Taxoids; Terpenes	CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C						347828594					Milataxel		
DB12339	Radezolid	BE0003466	RRBP1	Q9P2E9	RRBP1_HUMAN	inhibitor	33762722	"Shriwas O, Arya R, Mohanty S, Mohapatra P, Kumar S, Rath R, Kaushik SR, Pahwa F, Murmu KC, Majumdar SKD, Muduly DK, Dixit A, Prasad P, Nanda RK, Dash R: RRBP1 rewires cisplatin resistance in oral squamous cell carcinoma by regulating Hippo pathway. Br J Cancer. 2021 Jun;124(12):2004-2016. doi: 10.1038/s41416-021-01336-7. Epub 2021 Mar 24."	Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	Anti-Bacterial Agents; Anti-Infective Agents; Oxazoles	CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1						347828598					Radezolid	CHEMBL455461	
DB12340	Navitoclax	BE0000246	BCL2	P10415	BCL2_HUMAN	inhibitor	25754349	"Hoffman-Luca CG, Ziazadeh D, McEachern D, Zhao Y, Sun W, Debussche L, Wang S: Elucidation of Acquired Resistance to Bcl-2 and MDM2 Inhibitors in Acute Leukemia In Vitro and In Vivo. Clin Cancer Res. 2015 Jun 1;21(11):2558-68. doi: 10.1158/1078-0432.CCR-14-2506. Epub 2015 Mar 9."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Amines; Sulfones; Sulfur Compounds; Amides; Antineoplastic Agents	[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F						347828599					Navitoclax	CHEMBL443684	
DB12340	Navitoclax	BE0003421	BAD	Q92934	BAD_HUMAN				Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Amines; Sulfones; Sulfur Compounds; Amides; Antineoplastic Agents	[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F						347828599					Navitoclax	CHEMBL443684	
DB12371	Siponimod	BE0002432	S1PR5	Q9H228	S1PR5_HUMAN	modulator	29138536; 29735753; 26856814	"Gajofatto A: Spotlight on siponimod and its potential in the treatment of secondary progressive multiple sclerosis: the evidence to date. Drug Des Devel Ther. 2017 Nov 2;11:3153-3157. doi: 10.2147/DDDT.S122249. eCollection 2017.@@Glaenzel U, Jin Y, Nufer R, Li W, Schroer K, Adam-Stitah S, Peter van Marle S, Legangneux E, Borell H, James AD, Meissner A, Camenisch G, Gardin A: Metabolism and Disposition of Siponimod, a Novel Selective S1P1/S1P5 Agonist, in Healthy Volunteers and In Vitro Identification of Human Cytochrome P450 Enzymes Involved in Its Oxidative Metabolism. Drug Metab Dispos. 2018 Jul;46(7):1001-1013. doi: 10.1124/dmd.117.079574. Epub 2018 May 7.@@O'Sullivan C, Schubart A, Mir AK, Dev KK: The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures. J Neuroinflammation. 2016 Feb 8;13:31. doi: 10.1186/s12974-016-0494-x."	Approved; Investigational	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Immunomodulatory Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Sphingosine 1 Phosphate Receptor Modulators; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Selective Immunosuppressants; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Receptors, Lysosphingolipid, antagonists & inhibitors; Narrow Therapeutic Index Drugs; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Azetines"	CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F					23426	347828622					Siponimod	CHEMBL2336071	2121085
DB12371	Siponimod	BE0008652	S1PR1	P21453	S1PR1_HUMAN		24900670; 517042; 29138536	"Pan S, Gray NS, Gao W, Mi Y, Fan Y, Wang X, Tuntland T, Che J, Lefebvre S, Chen Y, Chu A, Hinterding K, Gardin A, End P, Heining P, Bruns C, Cooke NG, Nuesslein-Hildesheim B: Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. ACS Med Chem Lett. 2013 Jan 4;4(3):333-7. doi: 10.1021/ml300396r. eCollection 2013 Mar 14.@@Gianguzza M, Dolcemascolo G: On the ultrastructure of the test cells of Ascidia malaca during oogenesis. Acta Embryol Exp (Palermo). 1979;(2):173-89.@@Gajofatto A: Spotlight on siponimod and its potential in the treatment of secondary progressive multiple sclerosis: the evidence to date. Drug Des Devel Ther. 2017 Nov 2;11:3153-3157. doi: 10.2147/DDDT.S122249. eCollection 2017."	Approved; Investigational	Trifluoromethylbenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes	"Immunomodulatory Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Sphingosine 1 Phosphate Receptor Modulators; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; Selective Immunosuppressants; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Receptors, Lysosphingolipid, antagonists & inhibitors; Narrow Therapeutic Index Drugs; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Azetines"	CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F					23426	347828622					Siponimod	CHEMBL2336071	2121085
DB12379	Indirubin	BE0003721	AHR	P35869	AHR_HUMAN	agonist	15056799; 25329374	"Adachi J, Mori Y, Matsui S, Matsuda T: Comparison of gene expression patterns between 2,3,7,8-tetrachlorodibenzo-p-dioxin and a natural arylhydrocarbon receptor ligand, indirubin. Toxicol Sci. 2004 Jul;80(1):161-9. Epub 2004 Mar 31.@@Perkins A, Phillips JL, Kerkvliet NI, Tanguay RL, Perdew GH, Kolluri SK, Bisson WH: A Structural Switch between Agonist and Antagonist Bound Conformations for a Ligand-Optimized Model of the Human Aryl Hydrocarbon Receptor Ligand Binding Domain. Biology (Basel). 2014 Oct 17;3(4):645-69. doi: 10.3390/biology3040645."	Investigational	Indolines	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines	"Coloring Agents; Heterocyclic Compounds, Fused-Ring; Antibiotics, Antineoplastic; Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Antineoplastic Agents; Protein Kinase Inhibitors; Compounds used in a research, industrial, or household setting"	O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O						347828627					Indirubin		
DB12404	Remimazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"GABA Agents; Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; GABA Modulators; Nervous System; Psycholeptics"	COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12						347828650					Remimazolam	CHEMBL4297526	2383941
DB12404	Remimazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"GABA Agents; Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; GABA Modulators; Nervous System; Psycholeptics"	COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12						347828650					Remimazolam	CHEMBL4297526	2383941
DB12418	Saccharin	BE0003625	CA3	P07451	CAH3_HUMAN	inhibitor	17826101	"Nishimori I, Minakuchi T, Onishi S, Vullo D, Cecchi A, Scozzafava A, Supuran CT: Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36. Epub 2007 Aug 25."	Investigational	Benzothiazoles	Organic compounds; Organoheterocyclic compounds; Benzothiazoles	"Flavoring Agents; Physiological Phenomena; Heterocyclic Compounds, Fused-Ring; Thiazoles; Diet, Food, and Nutrition; Food; Sulfur Compounds; Food Additives; Food Ingredients; Benzothiazoles; Sweetening Agents; Compounds used in a research, industrial, or household setting"	O=C1NS(=O)(=O)C2=C1C=CC=C2						347828662					Saccharin	CHEMBL310671	9509
DB12436	Vofopitant	BE0000384	TACR1	P25103	NK1R_HUMAN		21229983	"Di Fabio R, Alvaro G, Griffante C, Pizzi DA, Donati D, Mattioli M, Cimarosti Z, Guercio G, Marchioro C, Provera S, Zonzini L, Montanari D, Melotto S, Gerrard PA, Trist DG, Ratti E, Corsi M: Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2- methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. J Med Chem. 2011 Feb 24;54(4):1071-9. doi: 10.1021/jm1013264. Epub 2011 Jan 13."	Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Central Nervous System Agents; Neurokinin-1 Receptor Antagonists; Neurotransmitter Agents; Antiemetics; Gastrointestinal Agents; Peripheral Nervous System Agents; Autonomic Agents	COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F						347828678					Vofopitant	CHEMBL522302	
DB12442	Alvespimycin	BE0001120	HSP90AA1	P07900	HS90A_HUMAN	inhibitor	17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Investigational	Macrolactams	Organic compounds; Phenylpropanoids and polyketides; Macrolactams	Quinones; Lactams; HSP90 Heat-Shock Proteins; Amides	CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O						347828683					17-Dimethylaminoethylamino-17-demethoxygeldanamycin	CHEMBL383824	
DB12450	Propyl Gallate	BE0000123	ESR1	P03372	ESR1_HUMAN		19063592	"Amadasi A, Mozzarelli A, Meda C, Maggi A, Cozzini P: Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach. Chem Res Toxicol. 2009 Jan;22(1):52-63. doi: 10.1021/tx800048m."	Investigational	Galloyl esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Antioxidants; Biological Factors; Benzoates; Acids, Carbocyclic; Hydroxy Acids; Phenols; Protective Agents; Hydroxybenzoates; Benzene Derivatives; Compounds used in a research, industrial, or household setting"	CCCOC(=O)C1=CC(O)=C(O)C(O)=C1						347828691						CHEMBL7983	1311134
DB12457	Rimegepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN	antagonist	31291516; 31081399	"Lipton RB, Croop R, Stock EG, Stock DA, Morris BA, Frost M, Dubowchik GM, Conway CM, Coric V, Goadsby PJ: Rimegepant, an Oral Calcitonin Gene-Related Peptide Receptor Antagonist, for Migraine. N Engl J Med. 2019 Jul 11;381(2):142-149. doi: 10.1056/NEJMoa1811090.@@Negro A, Martelletti P: Gepants for the treatment of migraine. Expert Opin Investig Drugs. 2019 Jun;28(6):555-567. doi: 10.1080/13543784.2019.1618830. Epub 2019 May 17."	Approved; Investigational	Imidazopyridines	Organic compounds; Organoheterocyclic compounds; Imidazopyridines	OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Cytochrome P-450 CYP3A4 Inhibitors (weak); MATE 1 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Migraine Disorders; Analgesics; OAT3/SLC22A8 Inhibitors; Calcitonin Gene-Related Peptide Receptor Antagonists; Cytochrome P-450 CYP2C9 Substrates; Antimigraine Preparations; Nervous System	N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N2C(=O)NC3=NC=CC=C23)C2=C1C=CC=N2)C1=C(F)C(F)=CC=C1					23905	347828697					Rimegepant	CHEMBL2178422	2282307
DB12458	Muscimol	BE0002345	GABRB3	P28472	GBRB3_HUMAN		22029276	"Stewart DS, Savechenkov PY, Dostalova Z, Chiara DC, Ge R, Raines DE, Cohen JB, Forman SA, Bruzik KS, Miller KW: p-(4-Azipentyl)propofol: a potent photoreactive general anesthetic derivative of propofol. J Med Chem. 2011 Dec 8;54(23):8124-35. doi: 10.1021/jm200943f. Epub 2011 Nov 10."	Investigational	Aralkylamines	Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines	"GABA Agents; Biological Factors; GABA Agonists; Mycotoxins; Neurotransmitter Agents; Toxins, Biological; GABA-A Receptor Agonists; Oxazoles"	NCC1=CC(=O)NO1						347828698					Muscimol	CHEMBL273481	
DB12478	Piribedil	BE0000756	DRD2	P14416	DRD2_HUMAN		10728880	"Millan MJ, Girardon S, Monneyron S, Dekeyne A: Discriminative stimulus properties of the dopamine D3 receptor agonists, PD128,907 and 7-OH-DPAT: a comparative characterization with novel ligands at D3 versus D2 receptors. Neuropharmacology. 2000 Feb 14;39(4):586-98."	Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Nonergot-derivative Dopamine Receptor Agonists; Anti-Parkinson Drugs; Central Nervous System Agents; Piperazines; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists	C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1						347828716					Piribedil	CHEMBL1371770	8353
DB12478	Piribedil	BE0000581	DRD3	P35462	DRD3_HUMAN		10728880	"Millan MJ, Girardon S, Monneyron S, Dekeyne A: Discriminative stimulus properties of the dopamine D3 receptor agonists, PD128,907 and 7-OH-DPAT: a comparative characterization with novel ligands at D3 versus D2 receptors. Neuropharmacology. 2000 Feb 14;39(4):586-98."	Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Nonergot-derivative Dopamine Receptor Agonists; Anti-Parkinson Drugs; Central Nervous System Agents; Piperazines; Anti-Parkinson Agents (Dopamine Agonist); Neurotransmitter Agents; Nervous System; Dopamine Agents; Anti-Dyskinesia Agents; Dopamine Agonists	C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1						347828716					Piribedil	CHEMBL1371770	8353
DB12483	Copanlisib	BE0002379	PIK3CA	P42336	PK3CA_HUMAN	inhibitor	30147333; 29127587	"Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018.@@Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21						347828721					Copanlisib	CHEMBL3218576	1945077
DB12483	Copanlisib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	30147333; 29127587	"Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018.@@Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21						347828721					Copanlisib	CHEMBL3218576	1945077
DB12483	Copanlisib	BE0002407	PIK3CB	P42338	PK3CB_HUMAN	inhibitor	29127587; 30147333	"Markham A: Copanlisib: First Global Approval. Drugs. 2017 Dec;77(18):2057-2062. doi: 10.1007/s40265-017-0838-6.@@Mensah FA, Blaize JP, Bryan LJ: Spotlight on copanlisib and its potential in the treatment of relapsed/refractory follicular lymphoma: evidence to date. Onco Targets Ther. 2018 Aug 13;11:4817-4827. doi: 10.2147/OTT.S142264. eCollection 2018."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; Phosphatidylinositol-3-kinase (Pi3K) inhibitors; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Substrates with a Narrow Therapeutic Index; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A7 Substrates"	COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21						347828721					Copanlisib	CHEMBL3218576	1945077
DB12500	Fedratinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	21220608; 27473820	"Pardanani A, Gotlib JR, Jamieson C, Cortes JE, Talpaz M, Stone RM, Silverman MH, Gilliland DG, Shorr J, Tefferi A: Safety and efficacy of TG101348, a selective JAK2 inhibitor, in myelofibrosis. J Clin Oncol. 2011 Mar 1;29(7):789-96. doi: 10.1200/JCO.2010.32.8021. Epub 2011 Jan 10.@@Roskoski R Jr: Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases. Pharmacol Res. 2016 Sep;111:784-803. doi: 10.1016/j.phrs.2016.07.038. Epub 2016 Jul 26."	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Janus Kinase Inhibitor; P-glycoprotein substrates; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C					23489	347828733		PA166280361			Fedratinib	CHEMBL1287853	2197490
DB12500	Fedratinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor			Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Janus Kinase Inhibitor; P-glycoprotein substrates; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C					23489	347828733		PA166280361			Fedratinib	CHEMBL1287853	2197490
DB12500	Fedratinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	27473820	Roskoski R Jr: Janus kinase (JAK) inhibitors in the treatment of inflammatory and neoplastic diseases. Pharmacol Res. 2016 Sep;111:784-803. doi: 10.1016/j.phrs.2016.07.038. Epub 2016 Jul 26.	Approved; Investigational	Benzenesulfonamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Genito Urinary System and Sex Hormones; Janus Kinase Inhibitor; P-glycoprotein substrates; Sulfonamides; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; OATP1B3 inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Gynecological Antiinfectives and Antiseptics; Sulfur Compounds	CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C					23489	347828733		PA166280361			Fedratinib	CHEMBL1287853	2197490
DB12513	Omaveloxolone	BE0004756	KEAP1	Q14145	KEAP1_HUMAN	inhibitor	29538645; 35052661	"Shekh-Ahmad T, Eckel R, Dayalan Naidu S, Higgins M, Yamamoto M, Dinkova-Kostova AT, Kovac S, Abramov AY, Walker MC: KEAP1 inhibition is neuroprotective and suppresses the development of epilepsy. Brain. 2018 May 1;141(5):1390-1403. doi: 10.1093/brain/awy071.@@Parsons ALM, Bucknor EMV, Castroflorio E, Soares TR, Oliver PL, Rial D: The Interconnected Mechanisms of Oxidative Stress and Neuroinflammation in Epilepsy. Antioxidants (Basel). 2022 Jan 14;11(1):157. doi: 10.3390/antiox11010157."	Approved; Investigational	Cyclohexenones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Oxidation-Reduction Agent; Cytochrome P-450 CYP2C8 Inducers; Antioxidants; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Anti-Inflammatory Agents; Triterpenes; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A4 Inducers (weak); Terpenes; Cytochrome P-450 CYP2C8 Substrates	CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2						347828744					Omaveloxolone	CHEMBL4303525	2631931
DB12518	Raclopride	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	15010698	"Martinez D, Broft A, Foltin RW, Slifstein M, Hwang DR, Huang Y, Perez A, Frankle WG, Cooper T, Kleber HD, Fischman MW, Laruelle M: Cocaine dependence and d2 receptor availability in the functional subdivisions of the striatum: relationship with cocaine-seeking behavior. Neuropsychopharmacology. 2004 Jun;29(6):1190-202."	Investigational	Salicylamides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Dopamine Antagonists; Antipsychotic Agents; Chlorobenzoates; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Benzoates; Acids, Carbocyclic; Tranquilizing Agents; Benzamides and benzamide derivatives; Neurotransmitter Agents; Amides; Benzene Derivatives; Dopamine Agents; Neurotoxic agents; Dopamine D2 Receptor Antagonists"	CCN1CCC[C@H]1CNC(=O)C1=C(O)C(Cl)=CC(Cl)=C1OC						347828748					Raclopride	CHEMBL8809	
DB12532	Oxetacaine	BE0009548	GAST	P01350	GAST_HUMAN	inhibition of synthesis	28867721	"Namba H, Nishimura Y, Kurata N, Iwase M, Hirai T, Kiuchi Y: Inhibitory Effect of Oxethazaine on Midazolam Metabolism in Rats. Biol Pharm Bull. 2017;40(9):1361-1365. doi: 10.1248/bpb.b16-01016."	Approved; Investigational	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	"Anesthetics, Local; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Vasoprotectives"	CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1					5201	347828759					Oxetacaine	CHEMBL127592	
DB12537	"1,2-Benzodiazepine"	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Benzodiazepines, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates"	N1N=CC=CC2=CC=CC=C12						347828763					Benzodiazepine	CHEMBL4297264	
DB12537	"1,2-Benzodiazepine"	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved; Investigational	Benzodiazepines	Organic compounds; Organoheterocyclic compounds; Benzodiazepines	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Benzodiazepines, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates"	N1N=CC=CC2=CC=CC=C12						347828763					Benzodiazepine	CHEMBL4297264	
DB12540	Lecozotan	BE0004958	HTR1A	P30939	5HT1F_HUMAN	regulator	17507923	"Raje S, Patat AA, Parks V, Schechter L, Plotka A, Paul J, Langstrom B: A positron emission tomography study to assess binding of lecozotan, a novel 5-hydroxytryptamine-1A silent antagonist, to brain 5-HT1A receptors in healthy young and elderly subjects, and in patients with Alzheimer's disease. Clin Pharmacol Ther. 2008 Jan;83(1):86-96. doi: 10.1038/sj.clpt.6100232. Epub 2007 May 16."	Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Serotonin Agents; Central Nervous System Depressants; Serotonin 5-HT1 Receptor Antagonists; Antidepressive Agents; Serotonin Receptor Antagonists; Serotonin 5-HT1A Receptor Antagonists	C[C@H](CN(C(=O)C1=CC=C(C=C1)C#N)C1=CC=CC=N1)N1CCN(CC1)C1=CC=CC2=C1OCCO2						347828766					Lecozotan	CHEMBL372205	
DB12543	Samidorphan	BE0000632	OPRK1	P41145	OPRK_HUMAN	partial agonist			Approved; Investigational	Phenanthrenes and derivatives	Organic compounds; Benzenoids; Phenanthrenes and derivatives	"Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Opioid Antagonists; Cytochrome P-450 CYP2C8 Substrates; Antipsychotic Agents; Diazepines, Oxazepines, Thiazepines and Oxepines; Central Nervous System Depressants; Cytochrome P-450 Substrates; Alkaloids; Psycholeptics; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Phenanthrenes; Morphinans; Central Nervous System Agents; Nervous System; Opiate Alkaloids"	NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O						347828769					Samidorphan	CHEMBL426084	2559612
DB12548	Sparsentan	BE0000521	EDNRA	P25101	EDNRA_HUMAN	antagonist	15634011; 29142983; 29947527	"Murugesan N, Gu Z, Fadnis L, Tellew JE, Baska RA, Yang Y, Beyer SM, Monshizadegan H, Dickinson KE, Valentine MT, Humphreys WG, Lan SJ, Ewing WR, Carlson KE, Kowala MC, Zahler R, Macor JE: Dual angiotensin II and endothelin A receptor antagonists: synthesis of 2'-substituted N-3-isoxazolyl biphenylsulfonamides with improved potency and pharmacokinetics. J Med Chem. 2005 Jan 13;48(1):171-9. doi: 10.1021/jm049548x.@@Komers R, Gipson DS, Nelson P, Adler S, Srivastava T, Derebail VK, Meyers KE, Pergola P, MacNally ME, Hunt JL, Shih A, Trachtman H: Efficacy and Safety of Sparsentan Compared With Irbesartan in Patients With Primary Focal Segmental Glomerulosclerosis: Randomized, Controlled Trial Design (DUET). Kidney Int Rep. 2017 Mar 4;2(4):654-664. doi: 10.1016/j.ekir.2017.02.019. eCollection 2017 Jul.@@Davenport AP, Kuc RE, Southan C, Maguire JJ: New drugs and emerging therapeutic targets in the endothelin signaling pathway and prospects for personalized precision medicine. Physiol Res. 2018 Jun 27;67(Suppl 1):S37-S54. doi: 10.33549/physiolres.933872."	Approved; Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	Agents Acting on the Renin-Angiotensin System; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Angiotensin II Type 1 Receptor Blockers; Cytochrome P-450 CYP3A4 Substrates; Dual Endothelin Type A Receptor/Ang II Subtype 1 Receptor Antagonist (DEARA); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Angiotensin Receptor Antagonists; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Angiotensin II receptor antagonists; Cytochrome P-450 CYP3A Inducers; Endothelin Receptor Antagonists; Sulfur Compounds; Cytochrome P-450 CYP2C9 Inducers; Angiotensin 2 Receptor Blocker	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C						347828773					Sparsentan	CHEMBL539423	
DB12565	Abexinostat	BE0002365	HDAC1	Q13547	HDAC1_HUMAN				Investigational	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans	"Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents"	CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO						347828788					Abexinostat	CHEMBL2103863	
DB12565	Abexinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	32503121	"Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609."	Investigational	Benzofurans	Organic compounds; Organoheterocyclic compounds; Benzofurans	"Heterocyclic Compounds, Fused-Ring; QTc Prolonging Agents; Amines; Enzyme Inhibitors; Histone Deacetylase Inhibitors; Hydroxy Acids; Hydroxylamines; Moderate Risk QTc-Prolonging Agents; Antineoplastic Agents"	CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO						347828788					Abexinostat	CHEMBL2103863	
DB12569	Tonapofylline	BE0000013	ADORA1	P30542	AA1R_HUMAN		17692744; 17125265	"Greenberg B, Thomas I, Banish D, Goldman S, Havranek E, Massie BM, Zhu Y, Ticho B, Abraham WT: Effects of multiple oral doses of an A1 adenosine antagonist, BG9928, in patients with heart failure: results of a placebo-controlled, dose-escalation study. J Am Coll Cardiol. 2007 Aug 14;50(7):600-6. Epub 2007 Jul 30.@@Vu CB, Kiesman WF, Conlon PR, Lin KC, Tam M, Petter RC, Smits G, Lutterodt F, Jin X, Chen L, Zhang J: Tricyclic imidazoline derivatives as potent and selective adenosine A1 receptor antagonists. J Med Chem. 2006 Nov 30;49(24):7132-9."	Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Purines; Heterocyclic Compounds, Fused-Ring; Purinones; Alkaloids; Receptor, Adenosine A1"	CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O						347828791						CHEMBL414157	
DB12579	JNJ-37822681	BE0000756	DRD2	P14416	DRD2_HUMAN	antagonist	22490380	"Langlois X, Megens A, Lavreysen H, Atack J, Cik M, te Riele P, Peeters L, Wouters R, Vermeire J, Hendrickx H, Macdonald G, De Bruyn M: Pharmacology of JNJ-37822681, a specific and fast-dissociating D2 antagonist for the treatment of schizophrenia. J Pharmacol Exp Ther. 2012 Jul;342(1):91-105. doi: 10.1124/jpet.111.190702. Epub 2012 Apr 6."	Investigational	N-benzylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Benzylpiperidines	Neurotransmitter Agents; Dopamine Antagonists; Dopamine Agents; Dopamine D2 Receptor Antagonists	FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1						347828801						CHEMBL3234237	
DB12582	Piperine	BE0000956	NR1I2	O75469	NR1I2_HUMAN		23707768	"Wang YM, Lin W, Chai SC, Wu J, Ong SS, Schuetz EG, Chen T: Piperine activates human pregnane X receptor to induce the expression of cytochrome P450 3A4 and multidrug resistance protein 1. Toxicol Appl Pharmacol. 2013 Oct 1;272(1):96-107. doi: 10.1016/j.taap.2013.05.014. Epub 2013 May 22."	Investigational	Alkaloids and derivatives	Organic compounds; Alkaloids and derivatives	"Hydrocarbons, Acyclic; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Alkenes; Enzyme Inhibitors; Piper nigrum; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Alkynes; Cytochrome P-450 CYP3A Inhibitors; Amides; Cytochrome P-450 CYP3A4 Inhibitors; Dioxoles"	O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1						347828804					Piperine	CHEMBL43185	1311146
DB12598	Nafamostat	BE0001091	KLK1	P06870	KLK1_HUMAN	inhibitor	2427760	"Iwaki M, Ino Y, Motoyoshi A, Ozeki M, Sato T, Kurumi M, Aoyama T: Pharmacological studies of FUT-175, nafamostat mesilate. V. Effects on the pancreatic enzymes and experimental acute pancreatitis in rats. Jpn J Pharmacol. 1986 Jun;41(2):155-62."	Investigational	Guanidinobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Protease Inhibitors; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Anticoagulants; Fibrinolysin, antagonists & inhibitors; OCT2 Substrates; OCT1 substrates; Immunologic Factors; Complement Inactivating Agents; Analgesics, Non-Narcotic; Peripheral Nervous System Agents; Analgesics; Serine Protease Inhibitors; Trypsin Inhibitors; Amidines; Kallikreins, antagonists & inhibitors; Hematologic Agents; Antirheumatic Agents"	NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N						347828816					Nafamostat	CHEMBL273264	
DB12610	Ebselen	BE0000950	EPHX2	P34913	HYES_HUMAN	inhibitor	23219563	"Morisseau C, Sahdeo S, Cortopassi G, Hammock BD: Development of an HTS assay for EPHX2 phosphatase activity and screening of nontargeted libraries. Anal Biochem. 2013 Mar 1;434(1):105-11. doi: 10.1016/j.ab.2012.11.017. Epub 2012  Dec 3."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Antioxidants; Sensory System Agents; Enzyme Inhibitors; Anti-Inflammatory Agents; Protective Agents; Gastrointestinal Agents; Anti-Ulcer Agents; Anti-Inflammatory Agents, Non-Steroidal; Selenium Compounds; Biological Factors; Heterocyclic Compounds, Fused-Ring; Analgesics, Non-Narcotic; Agents that produce hypertension; Peripheral Nervous System Agents; Analgesics; Compounds used in a research, industrial, or household setting; Cyclooxygenase Inhibitors; Central Nervous System Agents; Antirheumatic Agents; Neuroprotective Agents"	O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1						347828824					Ebselen	CHEMBL51085	
DB12611	PF-477736	BE0003382	CHEK1	O14757	CHK1_HUMAN	inhibitor	32610557	"Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726."	Investigational	Alpha amino acid amides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Protein Kinase Inhibitors"	CN1C=C(C=N1)C1=C2C=NNC(=O)C3=C2C(N1)=CC(NC(=O)[C@H](N)C1CCCCC1)=C3						347828825						CHEMBL3990456	
DB12612	Ozanimod	BE0008652	S1PR1	P21453	S1PR1_HUMAN	agonist	31492652; 28398597; 29125718	"Cohen JA, Comi G, Selmaj KW, Bar-Or A, Arnold DL, Steinman L, Hartung HP, Montalban X, Kubala Havrdova E, Cree BAC, Sheffield JK, Minton N, Raghupathi K, Huang V, Kappos L: Safety and efficacy of ozanimod versus interferon beta-1a in relapsing multiple sclerosis (RADIANCE): a multicentre, randomised, 24-month, phase 3 trial. Lancet Neurol. 2019 Nov;18(11):1021-1033. doi: 10.1016/S1474-4422(19)30238-8. Epub 2019 Sep 3.@@Tran JQ, Hartung JP, Peach RJ, Boehm MF, Rosen H, Smith H, Brooks JL, Timony GA, Olson AD, Gujrathi S, Frohna PA: Results From the First-in-Human Study With Ozanimod, a Novel, Selective Sphingosine-1-Phosphate Receptor Modulator. J Clin Pharmacol. 2017 Aug;57(8):988-996. doi: 10.1002/jcph.887. Epub 2017 Apr 11.@@Tran JQ, Hartung JP, Tompkins CA, Frohna PA: Effects of High- and Low-Fat Meals on the Pharmacokinetics of Ozanimod, a Novel Sphingosine-1-Phosphate Receptor Modulator. Clin Pharmacol Drug Dev. 2018 Aug;7(6):634-640. doi: 10.1002/cpdd.409. Epub 2017 Nov 10."	Approved; Investigational	Phenyloxadiazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles	BCRP/ABCG2 Substrates; Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Substrates; Immunologic Factors; Selective Immunosuppressants; Cytochrome P-450 CYP3A Substrates; Indenes; Sphingosine 1 Phosphate Receptor Modulators; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Oxazoles; Cytochrome P-450 CYP2C8 Substrates	CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N					23516	347828826					Ozanimod	CHEMBL3707247	2288236
DB12612	Ozanimod	BE0002432	S1PR5	Q9H228	S1PR5_HUMAN	agonist	31492652; 28398597; 29125718	"Cohen JA, Comi G, Selmaj KW, Bar-Or A, Arnold DL, Steinman L, Hartung HP, Montalban X, Kubala Havrdova E, Cree BAC, Sheffield JK, Minton N, Raghupathi K, Huang V, Kappos L: Safety and efficacy of ozanimod versus interferon beta-1a in relapsing multiple sclerosis (RADIANCE): a multicentre, randomised, 24-month, phase 3 trial. Lancet Neurol. 2019 Nov;18(11):1021-1033. doi: 10.1016/S1474-4422(19)30238-8. Epub 2019 Sep 3.@@Tran JQ, Hartung JP, Peach RJ, Boehm MF, Rosen H, Smith H, Brooks JL, Timony GA, Olson AD, Gujrathi S, Frohna PA: Results From the First-in-Human Study With Ozanimod, a Novel, Selective Sphingosine-1-Phosphate Receptor Modulator. J Clin Pharmacol. 2017 Aug;57(8):988-996. doi: 10.1002/jcph.887. Epub 2017 Apr 11.@@Tran JQ, Hartung JP, Tompkins CA, Frohna PA: Effects of High- and Low-Fat Meals on the Pharmacokinetics of Ozanimod, a Novel Sphingosine-1-Phosphate Receptor Modulator. Clin Pharmacol Drug Dev. 2018 Aug;7(6):634-640. doi: 10.1002/cpdd.409. Epub 2017 Nov 10."	Approved; Investigational	Phenyloxadiazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Oxadiazoles	BCRP/ABCG2 Substrates; Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 Substrates; Immunologic Factors; Selective Immunosuppressants; Cytochrome P-450 CYP3A Substrates; Indenes; Sphingosine 1 Phosphate Receptor Modulators; Sphingosine 1-phosphate Receptor Modulator; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Oxazoles; Cytochrome P-450 CYP2C8 Substrates	CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N					23516	347828826					Ozanimod	CHEMBL3707247	2288236
DB12622	Lupeol	BE0000394	ELANE	P08246	ELNE_HUMAN	inhibitor	12391559	"Mitaine-Offer AC, Hornebeck W, Sauvain M, Zeches-Hanrot M: Triterpenes and phytosterols as human leucocyte elastase inhibitors. Planta Med. 2002 Oct;68(10):930-2. doi: 10.1055/s-2002-34929."	Investigational	Triterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids	Pentacyclic Triterpenes; Anti-Inflammatory Agents; Triterpenes; Terpenes	[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C						347828834					Lupeol	CHEMBL289191	
DB12637	Onapristone	BE0000794	NR3C1	P04150	GCR_HUMAN		15705660	"Schaaf MJ, Lewis-Tuffin LJ, Cidlowski JA: Ligand-selective targeting of the glucocorticoid receptor to nuclear subdomains is associated with decreased receptor mobility. Mol Endocrinol. 2005 Jun;19(6):1501-15. Epub 2005 Feb 10."	Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Fused-Ring Compounds; Reproductive Control Agents; Fertility Agents, Female; Fertility Agents; Hormone Antagonists; Steroids; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12						347828846					Onapristone	CHEMBL1908373	
DB12637	Onapristone	BE0005510	ADGRD1	Q6QNK2	AGRD1_HUMAN		15811074	"Sachdeva G, Gadkar S, Shah CA, Kholkute SD, Puri CP: Characterization of a critical region in the hormone binding domain of sperm progesterone receptor. Int J Androl. 2005 Apr;28(2):120-4."	Investigational	Oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Fused-Ring Compounds; Reproductive Control Agents; Fertility Agents, Female; Fertility Agents; Hormone Antagonists; Steroids; Antineoplastic Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12						347828846					Onapristone	CHEMBL1908373	
DB12645	Givinostat	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	33936902; 32503121	"Arya Y, Syal A, Gupta M, Gaba S: Advances in the Treatment of Polycythemia Vera: Trends in Disease Management. Cureus. 2021 Mar 30;13(3):e14193. doi: 10.7759/cureus.14193.@@Curreli F, Ahmed S, Victor SMB, Debnath AK: Identification of Combinations of Protein Kinase C Activators and Histone Deacetylase Inhibitors That Potently Reactivate Latent HIV. Viruses. 2020 Jun 3;12(6). pii: v12060609. doi: 10.3390/v12060609."	Investigational	Phenylcarbamic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters	"Potential QTc-Prolonging Agents; QTc Prolonging Agents; Histone Deacetylase Inhibitors; Acids, Acyclic; Antineoplastic Agents"	CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1						347828853					Givinostat	CHEMBL1213492	
DB12651	Bardoxolone	BE0003460	CASP8	Q14790	CASP8_HUMAN				Investigational	Cyclohexenones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	Pentacyclic Triterpenes; Sapogenins; Triterpenes; Terpenes	CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O						347828858					Bardoxolone_methyl	CHEMBL1093059	
DB12662	Naveglitazar	BE0000215	PPARG	P37231	PPARG_HUMAN				Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	"PPAR alpha, agonists; Acids, Carbocyclic; PPAR gamma, agonists"	CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O						347828866						CHEMBL181954	
DB12670	Rolofylline	BE0000013	ADORA1	P30542	AA1R_HUMAN				Investigational	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Natriuretic Agents; Heterocyclic Compounds, Fused-Ring; Purines; Diuretics; Purinones; Alkaloids"	CCCN1C2=C(NC(=N2)C23C[C@@H]4CC2C[C@H](C3)C4)C(=O)N(CCC)C1=O						347828874					Rolofylline		
DB12688	Moxetumomab pasudotox	BE0000183	CD22	P20273	CD22_HUMAN	binder	22355051; 22003067; 33807678	"Park JH, Levine RL: Targeted immunotherapy for hairy cell leukemia. J Clin Oncol. 2012 May 20;30(15):1888-90. doi: 10.1200/JCO.2011.39.8313. Epub 2012 Feb 21.@@Kreitman RJ, Pastan I: Antibody fusion proteins: anti-CD22 recombinant immunotoxin moxetumomab pasudotox. Clin Cancer Res. 2011 Oct 15;17(20):6398-405. doi: 10.1158/1078-0432.CCR-11-0487.@@Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; CD22-Directed Cytotoxins; Immunotherapy; Immunotoxins; Immunologic Factors; Proteins; Antineoplastic Agents; Immunoglobulins; CD22 (Clusters of Differentiation 22) inhibitors; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Immunoconjugates; Narrow Therapeutic Index Drugs; Toxic Actions; Blood Proteins"							347911362					Moxetumomab_pasudotox		2099305
DB12695	Phenethyl Isothiocyanate	BE0004474	CYB5B	O43169	CYB5B_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009027	HSPA4	P34932	HSP74_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009031	PAPPA	Q13219	PAPP1_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0003912	PSMA3	P25788	PSA3_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009033	S100A10	P60903	S10AA_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009034	SF3A3	Q12874	SF3A3_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009035	SMARCE1	Q969G3	SMCE1_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0000355	SUCLG2	Q96I99	SUCB2_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009036	TPD52L2	O43399	TPD54_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009038	TPM3	P06753	TPM3_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009039	TPM4	P67936	TPM4_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0001391	TUBA4A	P68366	TBA4A_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009040	USP14	P54578	UBP14_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0004572	VCP	P55072	TERA_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0008974	YWHAB	P31946	1433B_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0004570	YWHAE	P62258	1433E_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12695	Phenethyl Isothiocyanate	BE0009042	YWHAQ	P27348	1433T_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB12698	Ibalizumab	BE0003488	CD4	P01730	CD4_HUMAN	antagonist			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Antiviral Agents; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Globulins; Antiinfectives for Systemic Use; CD4-directed Blocking Antibody; Amino Acids, Peptides, and Proteins; HIV Fusion Inhibitors; Antibodies; HIV 1 Post-attachment Fusion Inhibitors; Human Immunodeficiency Virus 1 Post-attachment Fusion Inhibitor; Proteins; CD4-directed Antibody Interactions; Immunoglobulins; Antivirals for Systemic Use; Anti-HIV Agents; Direct Acting Antivirals; Anti-Retroviral Agents; Anti-Infective Agents; Blood Proteins"							347911363					Ibalizumab		
DB12702	Velusetrag	BE0000084	HTR4	Q13639	5HT4R_HUMAN				Investigational	Quinoline-3-carboxamides	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxamides	Aza Compounds	CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O						347828900					Velusetrag	CHEMBL2087337	
DB12713	Sotagliflozin	BE0004754	SLC5A1	P13866	SC5A1_HUMAN	inhibitor			Approved; Investigational	Phenolic glycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Sodium-Glucose Transporter 1, antagonists & inhibitors; Sodium-Glucose Transporter 2 Inhibitors; UGT2B7 substrates; Cytochrome P-450 CYP3A Substrates; Blood Glucose Lowering Agents; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A4 Inhibitors; Alimentary Tract and Metabolism; Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors; P-glycoprotein inhibitors; OATP1B3 inhibitors; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Drugs Used in Diabetes; UGT1A9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers"	CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1						347828911					Sotagliflozin	CHEMBL3039507	2638675
DB12731	Daporinad	BE0002413	NAMPT	P43490	NAMPT_HUMAN	inhibitor	10592235; 21144000	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.@@Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677."	Investigational	1-benzoylpiperidines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives	"Acrylates; Acids, Acyclic; Amides"	O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1						347828925						CHEMBL566757	
DB12733	Dipraglurant	BE0001192	GRM5	P41594	GRM5_HUMAN				Investigational	Imidazopyridines	Organic compounds; Organoheterocyclic compounds; Imidazopyridines		FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1						347828927					Dipraglurant	CHEMBL2346738	
DB12742	Amuvatinib	BE0000453	KIT	P10721	KIT_HUMAN		17325667	"Mahadevan D, Cooke L, Riley C, Swart R, Simons B, Della Croce K, Wisner L, Iorio M, Shakalya K, Garewal H, Nagle R, Bearss D: A novel tyrosine kinase switch is a mechanism of imatinib resistance in gastrointestinal stromal tumors. Oncogene. 2007 Jun 7;26(27):3909-19. Epub 2007 Feb 26."	Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Compounds; Amides	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1						347828932						CHEMBL2103851	
DB12742	Amuvatinib	BE0000915	MET	P08581	MET_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Compounds; Amides	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1						347828932						CHEMBL2103851	
DB12742	Amuvatinib	BE0002411	RET	P07949	RET_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Compounds; Amides	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1						347828932						CHEMBL2103851	
DB12742	Amuvatinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Compounds; Amides	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1						347828932						CHEMBL2103851	
DB12742	Amuvatinib	BE0000147	FLT3	P36888	FLT3_HUMAN				Investigational	N-arylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Sulfur Compounds; Amides	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1						347828932						CHEMBL2103851	
DB12747	Tertomotide	BE0002449	TERT	O14746	TERT_HUMAN		17258078	"Kokhaei P, Palma M, Hansson L, Osterborg A, Mellstedt H, Choudhury A: Telomerase (hTERT 611-626) serves as a tumor antigen in B-cell chronic lymphocytic leukemia and generates spontaneously antileukemic, cytotoxic T cells. Exp Hematol. 2007 Feb;35(2):297-304."	Investigational										347911372							
DB12783	Benserazide	BE0002151	DDC	P20711	DDC_HUMAN	inhibitor			Approved; Investigational	Serine and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Anti-Parkinson Drugs; Central Nervous System Agents; Enzyme Inhibitors; Neurotransmitter Agents; Hydrazines; Drugs that are Mainly Renally Excreted; Dopamine Agents; Anti-Dyskinesia Agents; Aromatic L-amino Acid Decarboxylase Inhibitors	NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1					11318	347828964	D03082	PA165360203			Benserazide	CHEMBL1096979	1374
DB12808	Trifarotene	BE0000144	RARG	P13631	RARG_HUMAN	agonist	29974453	"Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4."	Approved; Investigational	M-terphenyls	Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls	Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates	CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O					23388	347828982					Trifarotene	CHEMBL3707313	2205637
DB12808	Trifarotene	BE0000206	RARB	P10826	RARB_HUMAN	agonist	29974453	"Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4."	Approved; Investigational	M-terphenyls	Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls	Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates	CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O					23388	347828982					Trifarotene	CHEMBL3707313	2205637
DB12808	Trifarotene	BE0000663	RARA	P10276	RARA_HUMAN	agonist	29974453	"Aubert J, Piwnica D, Bertino B, Blanchet-Rethore S, Carlavan I, Deret S, Dreno B, Gamboa B, Jomard A, Luzy AP, Mauvais P, Mounier C, Pascau J, Pelisson I, Portal T, Rivier M, Rossio P, Thoreau E, Vial E, Voegel JJ: Nonclinical and human pharmacology of the potent and selective topical retinoic acid receptor-gamma agonist trifarotene. Br J Dermatol. 2018 Aug;179(2):442-456. doi: 10.1111/bjd.16719. Epub 2018 Jul 4."	Approved; Investigational	M-terphenyls	Organic compounds; Benzenoids; Benzene and substituted derivatives; Terphenyls	Anti-Acne Preparations; Cytochrome P-450 CYP2B6 Substrates; Anti-Acne Preparations for Topical Use; Alkenes; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Polyenes; Cytochrome P-450 CYP3A Substrates; Retinoids for Topical Use in Acne; Dermatologicals; Misc. Skin and Mucous Membrane Agents; Cytochrome P-450 CYP3A4 Substrates; Retinoids; Cytochrome P-450 CYP2C8 Substrates	CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O					23388	347828982					Trifarotene	CHEMBL3707313	2205637
DB12816	Terpinen-4-ol	BE0000246	BCL2	P10415	BCL2_HUMAN	regulator	21760828	"Wu CS, Chen YJ, Chen JJ, Shieh JJ, Huang CH, Lin PS, Chang GC, Chang JT, Lin CC: Terpinen-4-ol Induces Apoptosis in Human Nonsmall Cell Lung Cancer In Vitro and In Vivo. Evid Based Complement Alternat Med. 2012;2012:818261. doi: 10.1155/2012/818261. Epub 2011 Jun 20."	Investigational	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates	CC(C)C1(O)CCC(C)=CC1						347828987					Terpinen-4-ol	CHEMBL507795	1314261
DB12816	Terpinen-4-ol	BE0001156	XIAP	P98170	XIAP_HUMAN	downregulator	21760828	"Wu CS, Chen YJ, Chen JJ, Shieh JJ, Huang CH, Lin PS, Chang GC, Chang JT, Lin CC: Terpinen-4-ol Induces Apoptosis in Human Nonsmall Cell Lung Cancer In Vitro and In Vivo. Evid Based Complement Alternat Med. 2012;2012:818261. doi: 10.1155/2012/818261. Epub 2011 Jun 20."	Investigational	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates	CC(C)C1(O)CCC(C)=CC1						347828987					Terpinen-4-ol	CHEMBL507795	1314261
DB12816	Terpinen-4-ol	BE0004903	NFKB2	P19838	NFKB1_HUMAN	downregulator	27502407	"Chaiyana W, Anuchapreeda S, Leelapornpisid P, Phongpradist R, Viernstein H, Mueller M: Development of Microemulsion Delivery System of Essential Oil from Zingiber cassumunar Roxb. Rhizome for Improvement of Stability and Anti-Inflammatory Activity. AAPS PharmSciTech. 2017 May;18(4):1332-1342. doi: 10.1208/s12249-016-0603-2. Epub 2016 Aug 8."	Investigational	Menthane monoterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids	Cytochrome P-450 Substrates; Cytochrome P-450 CYP2A6 Substrates	CC(C)C1(O)CCC(C)=CC1						347828987					Terpinen-4-ol	CHEMBL507795	1314261
DB12831	Gabexate	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	143965	"Tamura Y, Hirado M, Okamura K, Minato Y, Fujii S: Synthetic inhibitors of trypsin, plasmin, kallikrein, thrombin, C1r-, and C1 esterase. Biochim Biophys Acta. 1977 Oct 13;484(2):417-22."	Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines; Guanidines; Anticoagulants; Hematologic Agents	CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1						347828997					Gabexate	CHEMBL87563	
DB12831	Gabexate	BE0000211	PLG	P00747	PLMN_HUMAN	inhibitor	143965	"Tamura Y, Hirado M, Okamura K, Minato Y, Fujii S: Synthetic inhibitors of trypsin, plasmin, kallikrein, thrombin, C1r-, and C1 esterase. Biochim Biophys Acta. 1977 Oct 13;484(2):417-22."	Investigational	Benzoic acid esters	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	Protease Inhibitors; Serine Protease Inhibitors; Enzyme Inhibitors; Amidines; Guanidines; Anticoagulants; Hematologic Agents	CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1						347828997					Gabexate	CHEMBL87563	
DB12843	Oleandrin	BE0000642	MMP2	P08253	MMP2_HUMAN	inhibitor	26444270	"Ma Y, Zhu B, Liu X, Yu H, Yong L, Liu X, Shao J, Liu Z: Inhibition of oleandrin on the proliferation show and invasion of osteosarcoma cells in vitro by suppressing Wnt/beta-catenin signaling pathway. J Exp Clin Cancer Res. 2015 Oct 6;34:115. doi: 10.1186/s13046-015-0232-8."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0000246	BCL2	P10415	BCL2_HUMAN	downregulator	27886059	"Ma Y, Zhu B, Yong L, Song C, Liu X, Yu H, Wang P, Liu Z, Liu X: Regulation of Intrinsic and Extrinsic Apoptotic Pathways in Osteosarcoma Cells Following Oleandrin Treatment. Int J Mol Sci. 2016 Nov 23;17(11). pii: ijms17111950. doi: 10.3390/ijms17111950."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0001094	NGF	P01138	NGF_HUMAN	inhibitor	16331685	"Manna SK, Sreenivasan Y, Sarkar A: Cardiac glycoside inhibits IL-8-induced biological responses by downregulating IL-8 receptors through altering membrane fluidity. J Cell Physiol. 2006 Apr;207(1):195-207. doi: 10.1002/jcp.20555."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0003460	CASP8	Q14790	CASP8_HUMAN	regulator	27886059	"Ma Y, Zhu B, Yong L, Song C, Liu X, Yu H, Wang P, Liu Z, Liu X: Regulation of Intrinsic and Extrinsic Apoptotic Pathways in Osteosarcoma Cells Following Oleandrin Treatment. Int J Mol Sci. 2016 Nov 23;17(11). pii: ijms17111950. doi: 10.3390/ijms17111950."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0004549	EPHB2	P29323	EPHB2_HUMAN	activator	31900072	"Terzioglu-Usak S, Nalli A, Elibol B, Ozek E, Hatiboglu MA: Anvirzel(TM)regulates cell death through inhibiting GSK-3 activity in human U87 glioma cells. Neurol Res. 2020 Jan;42(1):68-75. doi: 10.1080/01616412.2019.1709744. Epub 2020 Jan 3."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0000953	EGF	P01133	EGF_HUMAN	inhibitor	16331685	"Manna SK, Sreenivasan Y, Sarkar A: Cardiac glycoside inhibits IL-8-induced biological responses by downregulating IL-8 receptors through altering membrane fluidity. J Cell Physiol. 2006 Apr;207(1):195-207. doi: 10.1002/jcp.20555."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12843	Oleandrin	BE0002386	MTOR	P42345	MTOR_HUMAN	downregulator	32452588	"Roth MT, Cardin DB, Borazanci EH, Steinbach M, Picozzi VJ, Rosemury A, Wadlow RC, Newman RA, Berlin J: A Phase II, Single-Arm, Open-Label, Bayesian Adaptive Efficacy and Safety Study of PBI-05204 in Patients with Stage IV Metastatic Pancreatic Adenocarcinoma. Oncologist. 2020 Oct;25(10):e1446-e1450. doi: 10.1634/theoncologist.2020-0440. Epub 2020 Jul 2."	Experimental; Investigational	Cardenolide glycosides and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid lactones	Fused-Ring Compounds; Cardanolides; Glycosides; Cardiac Glycosides; Steroids	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O						347829006					Oleandrin	CHEMBL1075789	
DB12847	Pyroxamide	BE0008667	HDAC1	Q9UKV0	HDAC9_HUMAN	inhibitor	11309347; 16391874; 12678732	"Butler LM, Webb Y, Agus DB, Higgins B, Tolentino TR, Kutko MC, LaQuaglia MP, Drobnjak M, Cordon-Cardo C, Scher HI, Breslow R, Richon VM, Rifkind RA, Marks PA: Inhibition of transformed cell growth and induction of cellular differentiation by pyroxamide, an inhibitor of histone deacetylase. Clin Cancer Res. 2001 Apr;7(4):962-70.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors: a novel target of anticancer therapy (review). Oncol Rep. 2006 Feb;15(2):489-94.@@Kouraklis G, Theocharis S: Histone deacetylase inhibitors and anticancer therapy. Curr Med Chem Anticancer Agents. 2002 Jul;2(4):477-84. doi: 10.2174/1568011023353921."	Investigational	Pyridines and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives	Amines; Hydroxy Acids; Hydroxylamines; Pyridines	ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1						347829008						CHEMBL353581	
DB12865	Etelcalcetide	BE0000509	CASR	P41180	CASR_HUMAN	agonist	24235081	"Martin KJ, Bell G, Pickthorn K, Huang S, Vick A, Hodsman P, Peacock M: Velcalcetide (AMG 416), a novel peptide agonist of the calcium-sensing receptor, reduces serum parathyroid hormone and FGF23 levels in healthy male subjects. Nephrol Dial Transplant. 2014 Feb;29(2):385-92. doi: 10.1093/ndt/gft417. Epub 2013 Nov 13."	Approved; Investigational	Oligopeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Anti-Parathyroid Agents; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Calcium-sensing Receptor Agonist; Calcium Homeostasis; Amino Acids, Peptides, and Proteins; Increased Calcium-sensing Receptor Sensitivity"	C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O						347829023	D10676				Etelcalcetide	CHEMBL3545184	1876119
DB12872	Vonicog alfa	BE0000016	F8	P00451	FA8_HUMAN	stabilization	28379876; 26239086	"Brown R: Recombinant von Willebrand factor for severe gastrointestinal bleeding unresponsive to other treatments in a patient with type 2A von Willebrand disease: a case report. Blood Coagul Fibrinolysis. 2017 Oct;28(7):570-575. doi: 10.1097/MBC.0000000000000632.@@Gill JC, Castaman G, Windyga J, Kouides P, Ragni M, Leebeek FW, Obermann-Slupetzky O, Chapman M, Fritsch S, Pavlova BG, Presch I, Ewenstein B: Hemostatic efficacy, safety, and pharmacokinetics of a recombinant von Willebrand factor in severe von Willebrand disease. Blood. 2015 Oct 22;126(17):2038-46. doi: 10.1182/blood-2015-02-629873. Epub 2015  Aug 3."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"							23035	347911400					Vonicog_alfa		1812589
DB12874	Quizartinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor			Approved; Investigational	Phenylimidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Sulfur Compounds; Cytochrome P-450 CYP3A7 Substrates"	CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1						347829030	D09955				Quizartinib	CHEMBL576982	2643048
DB12887	Tazemetostat	BE0009562	EZH2	Q15910	EZH2_HUMAN	inhibitor			Approved; Investigational	Biphenyls and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives	Methyltransferase Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; MATE 1 Inhibitors; Pyridines; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Benzoates; Oxazines; P-glycoprotein substrates; Methyltransferase Inhibitor; Antineoplastic Agents; BCRP/ABCG2 Substrates; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O						347829042					Tazemetostat	CHEMBL3414621	2274378
DB12893	Sacituzumab govitecan	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	31415916	Bailly C: Irinotecan: 25 years of cancer treatment. Pharmacol Res. 2019 Oct;148:104398. doi: 10.1016/j.phrs.2019.104398. Epub 2019 Aug 12.	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Noxae; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Immunologic Factors; Alkaloids; Proteins; Antineoplastic Agents; Immunoglobulins; Antibody-drug Conjugates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; UGT1A1 Substrates; Trop-2-Directed Monoclonal Antibodies; Toxic Actions; Blood Proteins"						23659	347911403					Sacituzumab_govitecan		2360232
DB12917	Bimekizumab	BE0010184	IL17F	Q96PD4	IL17F_HUMAN	antibody			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Agents reducing cytokine levels; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"						23699	347911408					Bimekizumab		2668041
DB12941	Darolutamide	BE0000557	PGR	P06401	PRGR_HUMAN	antagonist			Approved; Investigational	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles	"BCRP/ABCG2 Substrates; OATP1B1/SLCO1B1 Inhibitors; Antiandrogens; Antineoplastic and Immunomodulating Agents; OATP1B3 inhibitors; Antiandrogens, non-steroidal; BCRP/ABCG2 Inhibitors; Endocrine Therapy; Cytochrome P-450 Substrates; UGT1A9 Substrates; Androgen Receptor Inhibitors; UGT1A1 Substrates; Cytochrome P-450 CYP3A Substrates; Hormone Antagonists and Related Agents; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents"	C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O					23424	347829085					Darolutamide	CHEMBL4297185	2180325
DB12961	Leukotriene B4	BE0000071	PPARA	Q07869	PPARA_HUMAN	activator	15491415	"Downie MM, Sanders DA, Maier LM, Stock DM, Kealey T: Peroxisome proliferator-activated receptor and farnesoid X receptor ligands differentially regulate sebaceous differentiation in human sebaceous gland organ cultures in vitro. Br J Dermatol. 2004 Oct;151(4):766-75."	Investigational	Leukotrienes	Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids	"Fatty Acids, Essential; Inflammation Mediators; Biological Factors; Lipids; Autacoids; Fatty Acids; Leukotrienes; Eicosanoids; Fatty Acids, Unsaturated; Arachidonic Acids"	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O						347829101					Leukotriene_B4	CHEMBL65061	
DB12965	Silver	BE0008688	MTF1	Q9Y4I5	MTL5_HUMAN	binder	3952727	"Scheuhammer AM, Cherian MG: Quantification of metallothioneins by a silver-saturation method. Toxicol Appl Pharmacol. 1986 Mar 15;82(3):417-25."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants"	[Ag]						347829105					Silver		2606543
DB12965	Silver	BE0001140	CP	P00450	CERU_HUMAN	binder			Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants"	[Ag]						347829105					Silver		2606543
DB12965	Silver	BE0000910	A2M	P01023	A2MG_HUMAN	binder	21188244	Lansdown AB: A pharmacological and toxicological profile of silver as an antimicrobial agent in medical devices. Adv Pharmacol Sci. 2010;2010:910686. doi: 10.1155/2010/910686. Epub 2010 Aug 24.	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Metals; Transition Elements; Elements; Dermatologicals; Silver Compounds; Metals, Heavy; Antiseptics and Disinfectants"	[Ag]						347829105					Silver		2606543
DB12978	Pexidartinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	28716061	"Cannarile MA, Weisser M, Jacob W, Jegg AM, Ries CH, Ruttinger D: Colony-stimulating factor 1 receptor (CSF1R) inhibitors in cancer therapy. J Immunother Cancer. 2017 Jul 18;5(1):53. doi: 10.1186/s40425-017-0257-y."	Approved; Investigational	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cancer immunotherapy; Amines; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1						347829117					Pexidartinib	CHEMBL3813873	2183102
DB12978	Pexidartinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor	28716061	"Cannarile MA, Weisser M, Jacob W, Jegg AM, Ries CH, Ruttinger D: Colony-stimulating factor 1 receptor (CSF1R) inhibitors in cancer therapy. J Immunother Cancer. 2017 Jul 18;5(1):53. doi: 10.1186/s40425-017-0257-y."	Approved; Investigational	Pyrrolopyridines	Organic compounds; Organoheterocyclic compounds; Pyrrolopyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cancer immunotherapy; Amines; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); UGT1A1 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Pyridines; Cytochrome P-450 Enzyme Inducers; Immunotherapy; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; OATP1B3 inhibitors; Hepatotoxic Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; UGT1A4 substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Narrow Therapeutic Index Drugs	FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1						347829117					Pexidartinib	CHEMBL3813873	2183102
DB12980	CHS-828	BE0002413	NAMPT	P43490	NAMPT_HUMAN	inhibitor	21144000	"Olesen UH, Petersen JG, Garten A, Kiess W, Yoshino J, Imai S, Christensen MK, Fristrup P, Thougaard AV, Bjorkling F, Jensen PB, Nielsen SJ, Sehested M: Target enzyme mutations are the molecular basis for resistance towards pharmacological inhibition of nicotinamide phosphoribosyltransferase. BMC Cancer. 2010 Dec 12;10:677. doi: 10.1186/1471-2407-10-677."	Investigational	Phenol ethers	Organic compounds; Benzenoids; Phenol ethers	Nitrogen Compounds; Anions; Ions; Amidines; Electrolytes	ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1						347829119						CHEMBL17289	
DB13003	Cortivazol	BE0000794	NR3C1	P04150	GCR_HUMAN		15677712	"Yoshikawa N, Yamamoto K, Shimizu N, Yamada S, Morimoto C, Tanaka H: The distinct agonistic properties of the phenylpyrazolosteroid cortivazol reveal interdomain communication within the glucocorticoid receptor. Mol Endocrinol. 2005 May;19(5):1110-24. Epub 2005 Jan 27."	Investigational	Pregnane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Corticosteroids for Systemic Use; Anti-Inflammatory Agents; Hyperglycemia-Associated Agents; Corticosteroids for Systemic Use, Plain; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Glucocorticoids; Pregnanes"	C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1						347829140					Cortivazol	CHEMBL2105842	21660
DB13007	Enfortumab vedotin	BE0009798	NECTIN4	Q96NY8	NECT4_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Amino Acids, Peptides, and Proteins; Nectin-4-directed Antibodies; Antibodies; Immunotherapy; Cytochrome P-450 Substrates; Proteins; P-glycoprotein substrates; Antineoplastic Agents; Immunoglobulins; Antibody-drug Conjugates; Cytochrome P-450 CYP3A4 Substrates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Blood Proteins; Microtubule Inhibitors"						23673	347911415					Enfortumab_vedotin		2268306
DB13009	Carbendazim	BE0003721	AHR	P35869	AHR_HUMAN	agonist	27286660	"Wei KL, Chen FY, Lin CY, Gao GL, Kao WY, Yeh CH, Chen CR, Huang HC, Tsai WR, Jong KJ, Li WJ, Su JG: Activation of aryl hydrocarbon receptor reduces carbendazim-induced cell death. Toxicol Appl Pharmacol. 2016 Sep 1;306:86-97. doi: 10.1016/j.taap.2016.06.004. Epub 2016 Jun 7."	Investigational	2-benzimidazolylcarbamic acid esters	Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters	"Mutagens; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Fungicides, Industrial; Pesticides; Agrochemicals; Acids, Acyclic; Noxae; Toxic Actions; Anthelmintics; Antinematodal Agents; Antiparasitic Agents; Compounds used in a research, industrial, or household setting"	COC(=O)NC1=NC2=CC=CC=C2N1						347829145					Carbendazim	CHEMBL70971	
DB13025	Tiapride	BE0000756	DRD2	P14416	DRD2_HUMAN	blocker	11520476	"Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s."	Investigational	Benzenesulfonyl compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds	"Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O						347829159	D08590				Tiapride	CHEMBL84158	10588
DB13025	Tiapride	BE0000581	DRD3	P35462	DRD3_HUMAN	blocker	11520476	"Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s."	Investigational	Benzenesulfonyl compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds	"Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O						347829159	D08590				Tiapride	CHEMBL84158	10588
DB13025	Tiapride	BE0004862	HTR1A	P34969	5HT7R_HUMAN	antagonist	11520476	"Scatton B, Cohen C, Perrault G, Oblin A, Claustre Y, Schoemaker H, Sanger DJ, Rouquier L, Porsolt R: The preclinical pharmacologic profile of tiapride. Eur Psychiatry. 2001 Jan;16 Suppl 1:29s-34s."	Investigational	Benzenesulfonyl compounds	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds	"Amines; Benzene Derivatives; Antipsychotic Agents; Central Nervous System Depressants; Benzoates; Benzamides and benzamide derivatives; Drugs that are Mainly Renally Excreted; Dopamine Antagonists; Psycholeptics; Dopamine D2 Receptor Antagonists; Acids, Carbocyclic; Neurotoxic agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Ethylamines; Dopamine Agents"	CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O						347829159	D08590				Tiapride	CHEMBL84158	10588
DB13044	Gossypol	BE0003510	BCL2L1	Q07817	B2CL1_HUMAN		16020667	"Bauer JA, Trask DK, Kumar B, Los G, Castro J, Lee JS, Chen J, Wang S, Bradford CR, Carey TE: Reversal of cisplatin resistance with a BH3 mimetic, (-)-gossypol, in head and neck cancer cells: role of wild-type p53 and Bcl-xL. Mol Cancer Ther. 2005 Jul;4(7):1096-104."	Investigational	Sesquiterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids	"Contraceptive Agents, Male; Adrenal Cortex Hormones; Sesquiterpenes; Hormonal Contraceptives for Systemic Use; Reproductive Control Agents; Terpenes"	CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C						347829175					Gossypol	CHEMBL51483	
DB13133	Von Willebrand factor human	BE0000016	F8	P00451	FA8_HUMAN	carrier	28379876; 26239086	"Brown R: Recombinant von Willebrand factor for severe gastrointestinal bleeding unresponsive to other treatments in a patient with type 2A von Willebrand disease: a case report. Blood Coagul Fibrinolysis. 2017 Oct;28(7):570-575. doi: 10.1097/MBC.0000000000000632.@@Gill JC, Castaman G, Windyga J, Kouides P, Ragni M, Leebeek FW, Obermann-Slupetzky O, Chapman M, Fritsch S, Pavlova BG, Presch I, Ewenstein B: Hemostatic efficacy, safety, and pharmacokinetics of a recombinant von Willebrand factor in severe von Willebrand disease. Blood. 2015 Oct 22;126(17):2038-46. doi: 10.1182/blood-2015-02-629873. Epub 2015  Aug 3."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Biological Factors; Increased Platelet Aggregation; Blood and Blood Forming Organs; Hemostatics; von Willebrand Factor; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; von Willebrand Factor, antagonists & inhibitors"						13371	347911428							826072
DB13133	Von Willebrand factor human	BE0002110	LRP1	Q07954	LRP1_HUMAN		25712991	"Lenting PJ, Christophe OD, Denis CV: von Willebrand factor biosynthesis, secretion, and clearance: connecting the far ends. Blood. 2015 Mar 26;125(13):2019-28. doi: 10.1182/blood-2014-06-528406. Epub 2015  Feb 23."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Biological Factors; Increased Platelet Aggregation; Blood and Blood Forming Organs; Hemostatics; von Willebrand Factor; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; von Willebrand Factor, antagonists & inhibitors"						13371	347911428							826072
DB13146	Fluciclovine (18F)	BE0004769	SLC7A7	Q9UM01	YLAT1_HUMAN	binder			Approved	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent	N[C@]1(C[C@H]([18F])C1)C(O)=O						347829262					Fluciclovine_(18F)	CHEMBL254468	1796118
DB13146	Fluciclovine (18F)	BE0000640	GRIA1	P42261	GRIA1_HUMAN	inhibitor			Approved	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent	N[C@]1(C[C@H]([18F])C1)C(O)=O						347829262					Fluciclovine_(18F)	CHEMBL254468	1796118
DB13146	Fluciclovine (18F)	BE0000829	GRIA2	P42262	GRIA2_HUMAN	inhibitor			Approved	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent	N[C@]1(C[C@H]([18F])C1)C(O)=O						347829262					Fluciclovine_(18F)	CHEMBL254468	1796118
DB13146	Fluciclovine (18F)	BE0000831	GRIA3	P42263	GRIA3_HUMAN	inhibitor			Approved	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent	N[C@]1(C[C@H]([18F])C1)C(O)=O						347829262					Fluciclovine_(18F)	CHEMBL254468	1796118
DB13146	Fluciclovine (18F)	BE0000830	GRIA4	P48058	GRIA4_HUMAN	inhibitor			Approved	L-alpha-amino acids	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Diagnostic Radiopharmaceuticals; Cycloparaffins; Tumour Detection; Positron Emitting Activity; Radioactive Diagnostic Agent	N[C@]1(C[C@H]([18F])C1)C(O)=O						347829262					Fluciclovine_(18F)	CHEMBL254468	1796118
DB13149	Protein S human	BE0000041	F5	P12259	FA5_HUMAN	antagonist	8063724	"Hackeng TM, van 't Veer C, Meijers JC, Bouma BN: Human protein S inhibits prothrombinase complex activity on endothelial cells and platelets via direct interactions with factors Va and Xa. J Biol Chem. 1994 Aug 19;269(33):21051-8."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Carbohydrates; Anticoagulants; Hematologic Agents; Proteins; Blood Coagulation Factors; Blood Coagulation Factor Inhibitors; Glycoconjugates; Blood Proteins; Amino Acids, Peptides, and Proteins; Glycoproteins"						20132	347911433							34822
DB13150	Coagulation factor VII human	BE0000364	F9	P00740	FA9_HUMAN	activator			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						4235	347911434							4254
DB13151	Anti-inhibitor coagulant complex	BE0000004	F13A1	P00488	F13A_HUMAN	agonist	15385040	"Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins"						96	347911435							314504
DB13151	Anti-inhibitor coagulant complex	BE0000041	F5	P12259	FA5_HUMAN	agonist	15385040	"Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins"						96	347911435							314504
DB13151	Anti-inhibitor coagulant complex	BE0000016	F8	P00451	FA8_HUMAN	agonist	15385040	"Turecek PL, Varadi K, Gritsch H, Schwarz HP: FEIBA: mode of action. Haemophilia. 2004 Sep;10 Suppl 2:3-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Blood and Blood Forming Organs; Coagulants; Hemostatics; Hematologic Agents; Reversed Anticoagulation Activity; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins"						96	347911435							314504
DB13152	Coagulation Factor IX Human	BE0000016	F8	P00451	FA8_HUMAN	cofactor	11150722; 12719776; 12826528; 14598591; 16476097; 659613	"Neels JG, Bovenschen N, van Zonneveld AJ, Lenting PJ: Interaction between factor VIII and LDL receptor-related protein. Modulation of coagulation? Trends Cardiovasc Med. 2000 Jan;10(1):8-14.@@Carr ME Jr, Martin EJ, Kuhn JG, Seremetis SV: Effects of recombinant factor VIIa on platelet function and clot structure in blood with deficient prothrombin conversion. Thromb Haemost. 2003 May;89(5):803-11.@@Federici AB: The factor VIII/von Willebrand factor complex: basic and clinical issues. Haematologica. 2003 Jun;88(6):EREP02.@@Kalashnikova LA, Berkovskii AL, Dobrynina LA, Sergeeva EV, Kozlov AA, Aleksandrova EN, Nasonov EL: [Clotting factor VIII in Sneddon syndrome]. Klin Med (Mosk). 2003;81(9):42-5.@@Johansen RF, Sorensen B, Ingerslev J: Acquired haemophilia: dynamic whole blood coagulation utilized to guide haemostatic therapy. Haemophilia. 2006 Mar;12(2):190-7.@@Di Scipio RG, Kurachi K, Davie EW: Activation of human factor IX (Christmas factor). J Clin Invest. 1978 Jun;61(6):1528-38."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						90	347911436							221099
DB13152	Coagulation Factor IX Human	BE0002110	LRP1	Q07954	LRP1_HUMAN		17139284; 17016423; 12522212	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Rohlena J, Kolkman JA, Boertjes RC, Mertens K, Lenting PJ: Residues Phe342-Asn346 of activated coagulation factor IX contribute to the interaction with low density lipoprotein receptor-related protein. J Biol Chem. 2003 Mar 14;278(11):9394-401. Epub 2003 Jan 9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Proteins; Blood Coagulation Factors; Factor IX; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						90	347911436							221099
DB13154	Parachlorophenol	BE0002083	SCN4A	P35499	SCN4A_HUMAN		14662728	"Leuwer M, Haeseler G, Hecker H, Bufler J, Dengler R, Aronson JK: An improved model for the binding of lidocaine and structurally related local anaesthetics to fast-inactivated voltage-operated sodium channels, showing evidence of cooperativity. Br J Pharmacol. 2004 Jan;141(1):47-54. Epub 2003 Dec 8."	Approved	P-chlorophenols	Organic compounds; Benzenoids; Phenols; Halophenols	"Anti-Infective Agents; Anti-Infective Agents, Local; OATP1B3 substrates; Phenols; Drugs that are Mainly Renally Excreted; Benzene Derivatives; Chlorobenzenes"	OC1=CC=C(Cl)C=C1					17827	347829264	D00149					CHEMBL57053	14982
DB13158	Clobetasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist			Approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Substrates; Sensory Organs; Drugs that are Mainly Renally Excreted; Steroids; Pregnadienetriols; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Ophthalmologicals; Ointments; Pregnadienes; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl					7557	347829268	D07717				Clobetasone		108074
DB13164	Olmutinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26898616	"Tan CS, Cho BC, Soo RA: Next-generation epidermal growth factor receptor tyrosine kinase inhibitors in epidermal growth factor receptor -mutant non-small cell lung cancer. Lung Cancer. 2016 Mar;93:59-68. doi: 10.1016/j.lungcan.2016.01.003. Epub 2016 Jan 8.@@Kwang O-K, Cha MY, Kim M, Song JY, Lee J-H, Kim YH, Lee Y-M, Suh KH, Son J.: Abstract LB-100: Discovery of HM61713 as an orally available and mutant EGFR selective inhibitor Cancer Res. 2014 October;74(19 Suppl.):Abstract nr LB-100."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors	CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1						347829271	D10859				Olmutinib	CHEMBL3786343	
DB13165	Ripasudil	BE0001016	ROCK1	Q13464	ROCK1_HUMAN	inhibitor			Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"rho-Associated Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Sulfones; Antiglaucoma Preparations and Miotics; Sulfur Compounds; Amides; Sensory Organs"	C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1						347829272					Ripasudil	CHEMBL3426621	
DB13165	Ripasudil	BE0004191	ROCK2	O75116	ROCK2_HUMAN	inhibitor			Experimental	Isoquinolines and derivatives	Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives	"rho-Associated Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Ophthalmologicals; Sulfones; Antiglaucoma Preparations and Miotics; Sulfur Compounds; Amides; Sensory Organs"	C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1						347829272					Ripasudil	CHEMBL3426621	
DB13166	Zofenopril	BE0000221	ACE	P12821	ACE_HUMAN	inhibitor	17355163	Ambrosioni E: Defining the role of zofenopril in the management of hypertension and ischemic heart disorders. Am J Cardiovasc Drugs. 2007;7(1):17-24.	Approved	Proline and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; Amino Acids; Cardiovascular Agents; Imino Acids; Protease Inhibitors; Amino Acids, Cyclic; Enzyme Inhibitors; Agents causing hyperkalemia; Agents causing angioedema; Antihypertensive Agents; Angiotensin-Converting Enzyme Inhibitors; Amino Acids, Peptides, and Proteins"	C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1						347829273	D08688				Zofenopril	CHEMBL331378	39990
DB13170	Plecanatide	BE0003578	GUCY1A2	P33402	GCYA2_HUMAN	agonist			Approved; Investigational	Polypeptides	Organic compounds; Organic Polymers; Polypeptides	"Guanylyl Cyclase C Agonists; Guanylate Cyclase-C Agonist; Peptide Hormones; Guanylate Cyclase Activators; Laxatives; Peptides; Alimentary Tract and Metabolism; Hormones; Miscellaneous GI Drugs; Receptors, Guanylate Cyclase-Coupled, agonists; Amino Acids, Peptides, and Proteins; Gastrointestinal Agents; Enzyme Activators; Drugs for Constipation; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O					23373	347829276					Plecanatide	CHEMBL2103867	1873752
DB13173	Cerliponase alfa	BE0003623	IGF2R	P11717	MPRI_HUMAN	ligand	22792360	"Meng Y, Sohar I, Wang L, Sleat DE, Lobel P: Systemic administration of tripeptidyl peptidase I in a mouse model of late infantile neuronal ceroid lipofuscinosis: effect of glycan modification. PLoS One. 2012;7(7):e40509. doi: 10.1371/journal.pone.0040509. Epub 2012 Jul 6."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Hydrolases; Enzymes and Coenzymes; Exopeptidases; Proteins; Hydrolytic Lysosomal N-terminal Tripeptidyl Peptidase; Amino Acids, Peptides, and Proteins; Alimentary Tract and Metabolism; Enzymes"						23028	347911440	D10813				Cerliponase_alfa	CHEMBL3544921	1922436
DB13179	Troleandomycin	BE0000956	NR1I2	O75469	NR1I2_HUMAN	activator	15039302	"Kobayashi K, Yamagami S, Higuchi T, Hosokawa M, Chiba K: Key structural features of ligands for activation of human pregnane X receptor. Drug Metab Dispos. 2004 Apr;32(4):468-72."	Approved	Aminoglycosides	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	"Cytochrome P-450 CYP3A Substrates; Anti-Bacterial Agents; Cytochrome P-450 CYP3A5 Inhibitors (strong); Cytochrome P-450 CYP3A5 Inhibitors; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Macrolides, Lincosamides and Streptogramins; Lactones; Antibacterials for Systemic Use; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A7 Inhibitors; Anti-Infective Agents; Cytochrome P-450 CYP3A4 Inhibitors (strong)"	CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O						347829281	D01322	PA127840611		DAP000411	Troleandomycin	CHEMBL564085	10864
DB13191	Phosphocreatine	BE0000410	CKMT2	P17540	KCRS_HUMAN	ligand	17139284; 17016423; 10567223; 8399219; 9642223; 1731757	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Koufen P, Ruck A, Brdiczka D, Wendt S, Wallimann T, Stark G: Free radical-induced inactivation of creatine kinase: influence on the octameric and dimeric states of the mitochondrial enzyme (Mib-CK). Biochem J. 1999 Dec 1;344 Pt 2:413-7.@@Wyss M, James P, Schlegel J, Wallimann T: Limited proteolysis of creatine kinase. Implications for three-dimensional structure and for conformational substrates. Biochemistry. 1993 Oct 12;32(40):10727-35.@@Stachowiak O, Dolder M, Wallimann T, Richter C: Mitochondrial creatine kinase is a prime target of peroxynitrite-induced modification and inactivation. J Biol Chem. 1998 Jul 3;273(27):16694-9.@@Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40."	Nutraceutical	Alpha amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Phosphoamino Acids; Amino Acids; Cardiovascular Agents; Cardiac Therapy; Protective Agents; Compounds used in a research, industrial, or household setting; Drugs that are Mainly Renally Excreted; Amino Acids, Peptides, and Proteins; Cardiotonic Agents"	CN(CC(O)=O)C(=N)NP(O)(O)=O						347829286					Phosphocreatine	CHEMBL1204644	
DB13192	Antihemophilic factor human	BE0000364	F9	P00740	FA9_HUMAN	activator			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Hemophilia A; Increased Coagulation Activity; Biological Factors; Blood and Blood Forming Organs; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Human Antihemophilic Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						9847	347911441							203083
DB13257	Ferrous sulfate anhydrous	BE0004850	TFRC	Q9UP52	TFR2_HUMAN	substrate	24310424; 21694802; 18954837	"Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Johnson-Wimbley TD, Graham DY: Diagnosis and management of iron deficiency anemia in the 21st century. Therap Adv Gastroenterol. 2011 May;4(3):177-84. doi: 10.1177/1756283X11398736.@@Alleyne M, Horne MK, Miller JL: Individualized treatment for iron-deficiency anemia in adults. Am J Med. 2008 Nov;121(11):943-8. doi: 10.1016/j.amjmed.2008.07.012."	Approved	Transition metal sulfates	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal sulfates	"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Organometallic Compounds; Pharmaceutical Preparations; Iron Compounds; Hematinics; Delayed-Action Preparations; Iron Preparations; Anemia, Iron-Deficiency"	[Fe++].[O-]S([O-])(=O)=O					4839	347829289					Iron(II)_sulfate	CHEMBL1200830	
DB13269	Dichlorobenzyl alcohol	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	antagonist	28398972	"Tan TW, Chen BC, Tan HL, Chang CM: Effectiveness of amylmetacresol and 2,4-dichlorobenzyl alcohol throat lozenges in patients with acute sore throat due to upper respiratory tract infection: a systematic review protocol. JBI Database System Rev Implement Rep. 2017 Apr;15(4):862-872. doi: 10.11124/JBISRIR-2016-003034."	Approved	Dichlorobenzenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes	"Anti-Infective Agents, Local; Throat Preparations; Alcohols; Benzyl Compounds; Drugs that are Mainly Renally Excreted; Benzene Derivatives"	OCC1=C(Cl)C=C(Cl)C=C1					7097						"2,4-Dichlorobenzyl_alcohol"	CHEMBL3184437	22906
DB13310	Ormeloxifene	BE0000123	ESR1	P03372	ESR1_HUMAN	modulator	17280556; 28458475	"Awasthi S, Blesson CS, Dwivedi A: Expression of oestrogen receptors alpha and beta during the period of uterine receptivity in rat: effect of ormeloxifene, a selective oestrogen receptor modulator. Acta Physiol (Oxf). 2007 Jan;189(1):47-56. doi: 10.1111/j.1748-1716.2006.01638.x.@@Pati T, Chanania K, Marandi S, Hansa J: Ormeloxifene - Looking beyond contraception. J Midlife Health. 2017 Jan-Mar;8(1):17-20. doi: 10.4103/jmh.JMH_71_16."	Experimental	7-O-methylated isoflavonoids	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids	"Selective Estrogen Receptor Modulators; Chromans; Contraceptives, Oral; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrans; Contraceptives, Postcoital; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Contraceptive Agents, Female; Genito Urinary System and Sex Hormones; Hormone Antagonists; Estrogen Antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2											Ormeloxifene	CHEMBL301327	
DB13310	Ormeloxifene	BE0000792	ESR2	Q92731	ESR2_HUMAN	modulator	17280556; 28458475	"Awasthi S, Blesson CS, Dwivedi A: Expression of oestrogen receptors alpha and beta during the period of uterine receptivity in rat: effect of ormeloxifene, a selective oestrogen receptor modulator. Acta Physiol (Oxf). 2007 Jan;189(1):47-56. doi: 10.1111/j.1748-1716.2006.01638.x.@@Pati T, Chanania K, Marandi S, Hansa J: Ormeloxifene - Looking beyond contraception. J Midlife Health. 2017 Jan-Mar;8(1):17-20. doi: 10.4103/jmh.JMH_71_16."	Experimental	7-O-methylated isoflavonoids	Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids	"Selective Estrogen Receptor Modulators; Chromans; Contraceptives, Oral; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Adrenal Cortex Hormones; Pyrans; Contraceptives, Postcoital; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Contraceptive Agents, Female; Genito Urinary System and Sex Hormones; Hormone Antagonists; Estrogen Antagonists; Reproductive Control Agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2											Ormeloxifene	CHEMBL301327	
DB13335	Pinazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1											Pinazepam	CHEMBL1213352	
DB13335	Pinazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Psychotropic Drugs; Tranquilizing Agents; Nervous System; Psycholeptics"	ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1											Pinazepam	CHEMBL1213352	
DB13345	Dihydroergocristine	BE0004862	HTR1A	P34969	5HT7R_HUMAN	antagonist	1492857	Coppi G: [Dihydroergocristine. A review of pharmacology and toxicology]. Arzneimittelforschung. 1992 Nov;42(11A):1381-90.	Approved; Experimental	Lysergamides	Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives	"Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Ergotamines; Adrenergic Antagonists; Vasodilating Agents; Neurotransmitter Agents; Alkaloids; Cytochrome P-450 CYP3A Substrates; Agents that produce hypertension; Adrenergic Agents; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Ergot Alkaloids and Derivatives; BSEP/ABCB11 Substrates"	[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C							D07834				Dihydroergocristine	CHEMBL601773	3416
DB13437	Medazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Peripheral Nervous System Agents; Benzazepines; Neuromuscular Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2											Medazepam	CHEMBL28333	6680
DB13437	Medazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Muscle Relaxants, Centrally Acting Agents; GABA Agents; Hypnotics and Sedatives; Central Nervous System Depressants; Muscle Relaxants; Psycholeptics; Heterocyclic Compounds, Fused-Ring; Benzodiazepine hypnotics and sedatives; GABA Modulators; Peripheral Nervous System Agents; Benzazepines; Neuromuscular Agents; Anti-Anxiety Agents; Psychotropic Drugs; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Tranquilizing Agents; Neurotransmitter Agents; Nervous System; Anticonvulsants"	CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2											Medazepam	CHEMBL28333	6680
DB13520	Metergoline	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	inhibitor	24909513	"Lee JH, Liu J, Shin M, Hong M, Nah SY, Bae H: Metergoline inhibits the neuronal Nav1.2 voltage-dependent Na(+) channels expressed in Xenopus oocytes. Acta Pharmacol Sin. 2014 Jul;35(7):862-8. doi: 10.1038/aps.2014.30. Epub 2014 Jun 9."	Approved	Indoloquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Indoloquinolines	"Serotonin Agents; Heterocyclic Compounds, Fused-Ring; Ergolines; Central Nervous System Depressants; Neurotransmitter Agents; Alkaloids; Prolactine Inhibitors; Serotonin Receptor Agonists; Agents that produce hypertension; Ergot Alkaloids and Derivatives; Genito Urinary System and Sex Hormones; Ergot-derivative Dopamine Receptor Agonists; Serotonin Receptor Antagonists; Dopamine Agents; Antidepressive Agents; Dopamine Agonists"	[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C						347829303	D07218				Metergoline	CHEMBL19215	6834
DB13581	Rociverine	BE0000560	CHRM2	P08172	ACM2_HUMAN	antagonist	8575526	"Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32."	Experimental	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism"	CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1											Rociverine		
DB13581	Rociverine	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	8575526	"Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32."	Experimental	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism"	CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1											Rociverine		
DB13581	Rociverine	BE0000247	CHRM5	P08912	ACM5_HUMAN	antagonist	8575526	"Barbier P, Renzetti AR, Turbanti L, Di Bugno C, Fornai F, Vaglini F, Maggio R, Corsini GU: Stereoselective inhibition of muscarinic receptor subtypes by the eight stereoisomers related to rociverine. Eur J Pharmacol. 1995 Jul 18;290(2):125-32."	Experimental	Cyclohexanols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Anticholinergic Agents; Muscarinic Antagonists; Cycloparaffins; Drugs for Functional Gastrointestinal Disorders; Acids, Carbocyclic; Parasympatholytics; Synthetic Anticholinergics, Esters With Tertiary Amino Group; Agents producing tachycardia; Peripheral Nervous System Agents; Cyclohexanes; Autonomic Agents; Alimentary Tract and Metabolism"	CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1											Rociverine		
DB13615	Mifamurtide	BE0009323	NOD2	Q9HC29	NOD2_HUMAN	ligand	21226638; 20596505	"Ando K, Mori K, Corradini N, Redini F, Heymann D: Mifamurtide for the treatment of nonmetastatic osteosarcoma. Expert Opin Pharmacother. 2011 Feb;12(2):285-92. doi: 10.1517/14656566.2011.543129.@@Kager L, Potschger U, Bielack S: Review of mifamurtide in the treatment of patients with osteosarcoma. Ther Clin Risk Manag. 2010 Jun 24;6:279-86."	Approved; Experimental			"Cancer immunotherapy; Carbohydrates; Adjuvants, Immunologic; Muramic Acids; Amino Sugars; Amino Acids, Peptides, and Proteins; Phosphatidic Acids; Immunotherapy; Immunologic Factors; Glycerophosphates; Phospholipids; Lipids; Glycerophospholipids; Peptides; Sugar Acids; Antineoplastic and Immunomodulating Agents; Glycopeptides; Membrane Lipids"	O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC											Mifamurtide		
DB13643	Loprazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Psychotropic Drugs; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics"	[H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O						347829308					Loprazolam	CHEMBL2107448	38555
DB13643	Loprazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Psychotropic Drugs; Tranquilizing Agents; Benzodiazepine hypnotics and sedatives; Nervous System; Psycholeptics"	[H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O						347829308					Loprazolam	CHEMBL2107448	38555
DB13720	Diphemanil	BE0000045	CHRM3	P20309	ACM3_HUMAN	antagonist	17139284; 17016423; 11752352	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Vet_approved; Withdrawn	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Anticholinergic Agents; Muscarinic Antagonists; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Drugs for Functional Gastrointestinal Disorders; Parasympatholytics; Anti-Asthmatic Agents; Bronchodilator Agents; Agents producing tachycardia; Respiratory System Agents; Peripheral Nervous System Agents; Autonomic Agents; Alimentary Tract and Metabolism"	C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1											Diphemanil_metilsulfate	CHEMBL1201340	89782
DB13729	Camostat	BE0001656	ST14	Q9Y5Y6	ST14_HUMAN	inhibitor	22038264	"Kitamura K, Tomita K: Proteolytic activation of the epithelial sodium channel and therapeutic application of a serine protease inhibitor for the treatment of salt-sensitive hypertension. Clin Exp Nephrol. 2012 Feb;16(1):44-8. doi: 10.1007/s10157-011-0506-1. Epub 2011 Nov 1."	Experimental	Depsides and depsidones	Organic compounds; Phenylpropanoids and polyketides; Depsides and depsidones	Protease Inhibitors; Serine Protease Inhibitors; Antifibrinolytic Agents; Enzyme Inhibitors; Amidines; Blood and Blood Forming Organs; Guanidines; Hemostatics; Trypsin Inhibitors; Proteinase Inhibitors	CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1											Camostat	CHEMBL590799	
DB13746	Bioallethrin	BE0009738	SCN1A	Q15858	SCN9A_HUMAN	modulator	8841090; 22465659	"Narahashi T: Neuronal ion channels as the target sites of insecticides. Pharmacol Toxicol. 1996 Jul;79(1):1-14.@@McCavera SJ, Soderlund DM: Differential state-dependent modification of inactivation-deficient Nav1.6 sodium channels by the pyrethroid insecticides S-bioallethrin, tefluthrin and deltamethrin. Neurotoxicology. 2012 Jun;33(3):384-90. doi: 10.1016/j.neuro.2012.03.007. Epub 2012 Mar 28."	Approved; Experimental			"Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C					2024	347829312					Bioallethrin	CHEMBL1872535	19338
DB13746	Bioallethrin	BE0004902	CACNG1	Q9P0X4	CAC1I_HUMAN	agonist	20881019	"Cao Z, Shafer TJ, Murray TF: Mechanisms of pyrethroid insecticide-induced stimulation of calcium influx in neocortical neurons. J Pharmacol Exp Ther. 2011 Jan;336(1):197-205. doi: 10.1124/jpet.110.171850. Epub 2010 Sep 29."	Approved; Experimental			"Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C					2024	347829312					Bioallethrin	CHEMBL1872535	19338
DB13746	Bioallethrin	BE0008716	CACNA1G	Q9P0X4	CAC1I_HUMAN	blocker	14634047	"Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21."	Approved; Experimental			"Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C					2024	347829312					Bioallethrin	CHEMBL1872535	19338
DB13746	Bioallethrin	BE0008717	CACNA1A	O00555	CAC1A_HUMAN	blocker	14634047	"Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21."	Approved; Experimental			"Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C					2024	347829312					Bioallethrin	CHEMBL1872535	19338
DB13746	Bioallethrin	BE0008715	CACNA1C	O00555	CAC1A_HUMAN	blocker	14634047	"Hildebrand ME, McRory JE, Snutch TP, Stea A: Mammalian voltage-gated calcium channels are potently blocked by the pyrethroid insecticide allethrin. J Pharmacol Exp Ther. 2004 Mar;308(3):805-13. doi: 10.1124/jpet.103.058792. Epub 2003 Nov 21."	Approved; Experimental			"Cytochrome P-450 CYP3A Substrates; Pesticides; Pyrethrins; Insecticides; Cytochrome P-450 CYP2C8 Substrates; Stereoisomerism; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Antiparasitic Products, Insecticides and Repellents; Calcium Channel Blockers; Pyrethrines, Incl. Synthetic Compounds; Monoterpenes; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Ectoparasiticides, Incl. Scabicides; Cytochrome P-450 CYP3A4 Substrates; Compounds used in a research, industrial, or household setting; Antiarrhythmic agents; Cyclopentane Monoterpenes; Cytochrome P-450 CYP2C9 Substrates; Agrochemicals; Bradycardia-Causing Agents; Toxic Actions; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents"	CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C					2024	347829312					Bioallethrin	CHEMBL1872535	19338
DB13751	Glycyrrhizic acid	BE0000329	HSD11B1	P28845	DHI1_HUMAN	antagonist			Approved; Experimental	Triterpene saponins	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides	"Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes"	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O					659		D00157				Glycyrrhizin	CHEMBL441687	26143
DB13751	Glycyrrhizic acid	BE0004903	NFKB2	P19838	NFKB1_HUMAN	translocation inhibitor	24963489	"Li JY, Cao HY, Liu P, Cheng GH, Sun MY: Glycyrrhizic acid in the treatment of liver diseases: literature review. Biomed Res Int. 2014;2014:872139. doi: 10.1155/2014/872139. Epub 2014 May 13."	Approved; Experimental	Triterpene saponins	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides	"Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes"	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O					659		D00157				Glycyrrhizin	CHEMBL441687	26143
DB13751	Glycyrrhizic acid	BE0000239	LPL	P06858	LIPL_HUMAN	inducer	23678825	"Ming LJ, Yin AC: Therapeutic effects of glycyrrhizic acid. Nat Prod Commun. 2013 Mar;8(3):415-8."	Approved; Experimental	Triterpene saponins	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides	"Pentacyclic Triterpenes; Anti-Inflammatory Agents; Liver Therapy, Lipotropics; Triterpenes; Liver Therapy; Bile and Liver Therapy; Alimentary Tract and Metabolism; BSEP/ABCB11 Substrates; Terpenes"	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O					659		D00157				Glycyrrhizin	CHEMBL441687	26143
DB13760	Niperotidine	BE0000112	HRH2	P25021	HRH2_HUMAN	antagonist	1983712	"Palasciano G, Maggi V, Portincasa P: The effect of the H2-antagonist niperotidine on intragastric acidity in healthy subjects undergoing 24-hour pH-monitoring. Ital J Gastroenterol. 1990 Oct;22(5):291-4."	Experimental; Investigational	Benzodioxoles	Organic compounds; Organoheterocyclic compounds; Benzodioxoles	Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Histamine H2 Antagonists; Gastric Acid Lowering Agents; Histamine Antagonists; Drugs for Acid Related Disorders; Alimentary Tract and Metabolism	CN(C)CC1=CC=C(CSCCNC(NCC2=CC=C3OCOC3=C2)=C[N+]([O-])=O)O1											Niperotidine		
DB13837	Doxefazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics"	OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F							D07327				Doxefazepam	CHEMBL64677	
DB13837	Doxefazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Hypnotics and Sedatives; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Nervous System; Psycholeptics"	OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F							D07327				Doxefazepam	CHEMBL64677	
DB13857	Demegestone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist			Experimental	20-oxosteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Oxosteroids	"Norsteroids; Progesterone Congeners; Progestin Contraceptives; Cytochrome P-450 CYP3A Substrates; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Steroids; Norpregnanes; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Contraceptives, Oral; Pregnadien Derivatives; Contraceptive Agents, Female"	[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H]							D07223				Demegestone	CHEMBL2104231	22483
DB13867	Fluticasone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist			Approved; Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C							D07981				Fluticasone	CHEMBL1201396	41126
DB13867	Fluticasone	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	16507850; 12503693	"Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6.@@Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92."	Approved; Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C							D07981				Fluticasone	CHEMBL1201396	41126
DB13867	Fluticasone	BE0000657	PLA2G4A	P47712	PA24A_HUMAN	inhibitor	10351938; 15083746	"Sano A, Munoz NM, Sano H, Choi J, Zhu X, Jacobs B, Leff AR: Inhibition of cPLA2 translocation and leukotriene C4 secretion by fluticasone propionate in exogenously activated human eosinophils. Am J Respir Crit Care Med. 1999 Jun;159(6):1903-9.@@Myo S, Zhu X, Myou S, Meliton AY, Liu J, Boetticher E, Lambertino AT, Xu C, Munoz NM, Leff AR: Additive blockade of beta 2-integrin adhesion of eosinophils by salmeterol and fluticasone propionate. Eur Respir J. 2004 Apr;23(4):511-7."	Approved; Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C							D07981				Fluticasone	CHEMBL1201396	41126
DB13867	Fluticasone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	12503693; 16507850	"Austin RJ, Maschera B, Walker A, Fairbairn L, Meldrum E, Farrow SN, Uings IJ: Mometasone furoate is a less specific glucocorticoid than fluticasone propionate. Eur Respir J. 2002 Dec;20(6):1386-92.@@Issar M, Sahasranaman S, Buchwald P, Hochhaus G: Differences in the glucocorticoid to progesterone receptor selectivity of inhaled glucocorticoids. Eur Respir J. 2006 Mar;27(3):511-6."	Approved; Experimental	Androgens and derivatives	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids	"OATP1B1/SLCO1B1 Inhibitors; Anti-Allergic Agents; Anti-Inflammatory Agents; Anti-Asthmatic Agents; Corticosteroids, Dermatological Preparations; Cytochrome P-450 CYP3A Substrates; Hyperglycemia-Associated Agents; Dermatologicals; Cytochrome P-450 CYP3A5 Inhibitors; Autonomic Agents; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Androstadienes; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Bronchodilator Agents; Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; P-glycoprotein substrates; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Nasal Preparations; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Androstanes; Corticosteroids, Potent (Group III); Respiratory System Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Androstenes; Peripheral Nervous System Agents; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Corticosteroid Hormone Receptor Agonists; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP3A7 Substrates; Glucocorticoids; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C							D07981				Fluticasone	CHEMBL1201396	41126
DB13869	2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol	BE0000792	ESR2	Q92731	ESR2_HUMAN		26970359	"Ronghe A, Chatterjee A, Singh B, Dandawate P, Abdalla F, Bhat NK, Padhye S, Bhat HK: 4-(E)-{(p-tolylimino)-methylbenzene-1,2-diol}, 1 a novel resveratrol analog, differentially regulates estrogen receptors alpha and beta in breast cancer cells. Toxicol Appl Pharmacol. 2016 Jun 15;301:1-13. doi: 10.1016/j.taap.2016.03.003. Epub 2016 Mar 9."	Experimental			Benzylidene Compounds; Benzene Derivatives	COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1						347829322							
DB13869	2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol	BE0000123	ESR1	P03372	ESR1_HUMAN		26970359	"Ronghe A, Chatterjee A, Singh B, Dandawate P, Abdalla F, Bhat NK, Padhye S, Bhat HK: 4-(E)-{(p-tolylimino)-methylbenzene-1,2-diol}, 1 a novel resveratrol analog, differentially regulates estrogen receptors alpha and beta in breast cancer cells. Toxicol Appl Pharmacol. 2016 Jun 15;301:1-13. doi: 10.1016/j.taap.2016.03.003. Epub 2016 Mar 9."	Experimental			Benzylidene Compounds; Benzene Derivatives	COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1						347829322							
DB13872	Lormetazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl						347829324					Lormetazepam	CHEMBL22097	28894
DB13872	Lormetazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Approved	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Agents; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics"	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl						347829324					Lormetazepam	CHEMBL22097	28894
DB13873	Fenofibric acid	BE0000071	PPARA	Q07869	PPARA_HUMAN	agonist			Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O						347829325					Fenofibrate	CHEMBL981	24852
DB13873	Fenofibric acid	BE0009742	MMP25	Q9NPA2	MMP25_HUMAN	unknown	17353509; 17606858	"Duhaney TA, Cui L, Rude MK, Lebrasseur NK, Ngoy S, De Silva DS, Siwik DA, Liao R, Sam F: Peroxisome proliferator-activated receptor alpha-independent actions of fenofibrate exacerbates left ventricular dilation and fibrosis in chronic pressure overload. Hypertension. 2007 May;49(5):1084-94. Epub 2007 Mar 12.@@Lebrasseur NK, Duhaney TA, De Silva DS, Cui L, Ip PC, Joseph L, Sam F: Effects of fenofibrate on cardiac remodeling in aldosterone-induced hypertension. Hypertension. 2007 Sep;50(3):489-96. Epub 2007 Jul 2."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O						347829325					Fenofibrate	CHEMBL981	24852
DB13873	Fenofibric acid	BE0000215	PPARG	P37231	PPARG_HUMAN		11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O						347829325					Fenofibrate	CHEMBL981	24852
DB13873	Fenofibric acid	BE0001007	PPARD	Q03181	PPARD_HUMAN	unknown	11779144	"Inoue I, Itoh F, Aoyagi S, Tazawa S, Kusama H, Akahane M, Mastunaga T, Hayashi K, Awata T, Komoda T, Katayama S: Fibrate and statin synergistically increase the transcriptional activities of PPARalpha/RXRalpha and decrease the transactivation of NFkappaB. Biochem Biophys Res Commun. 2002 Jan 11;290(1):131-9."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O						347829325					Fenofibrate	CHEMBL981	24852
DB13873	Fenofibric acid	BE0000956	NR1I2	O75469	NR1I2_HUMAN	partial agonist	20024649	"Creusot N, Kinani S, Balaguer P, Tapie N, LeMenach K, Maillot-Marechal E, Porcher JM, Budzinski H, Ait-Aissa S: Evaluation of an hPXR reporter gene assay for the detection of aquatic emerging pollutants: screening of chemicals and application to water samples. Anal Bioanal Chem. 2010 Jan;396(2):569-83. doi: 10.1007/s00216-009-3310-y. Epub 2009 Nov 29."	Approved	Benzophenones	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones	"Ethers; Benzene Derivatives; Lipid Modifying Agents; Butyrates; Benzophenones; Fibric Acids; Phenols; Peroxisome Proliferator Receptor alpha Agonist; Drugs that are Mainly Renally Excreted; Isobutyrates; Lipid Regulating Agents; Agents Causing Muscle Toxicity; Ketones; Lipid Modifying Agents, Plain; Anticholesteremic Agents; Acids, Acyclic; Hypolipidemic Agents Indicated for Hyperlipidemia; Hypolipidemic Agents; Phenyl Ethers; Non-statin Hypolipidemic Agents Indicated for Hyperlipidemia"	CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O						347829325					Fenofibrate	CHEMBL981	24852
DB13875	Harmaline	BE0002436	HNMT	P50135	HNMT_HUMAN	inhibitor	1530666	"Cumming P, Vincent SR: Inhibition of histamine-N-methyltransferase (HNMT) by fragments of 9-amino-1,2,3,4-tetrahydroacridine (tacrine) and by beta-carbolines. Biochem Pharmacol. 1992 Sep 1;44(5):989-92."	Experimental	Harmala alkaloids	Organic compounds; Alkaloids and derivatives; Harmala alkaloids	"Central Nervous System Stimulants; Heterocyclic Compounds, Fused-Ring; Monoamine Oxidase Inhibitors; Central Nervous System Agents; Agents that reduce seizure threshold; Central Nervous System Depressants; Enzyme Inhibitors; Harmala Alkaloids; Indole Alkaloids; Indolizidines; Alkaloids; Carbolines; Agents that produce hypertension; Indolizines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Indoles; Antidepressive Agents"	COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1						347829327					Harmaline	CHEMBL340807	
DB13877	Iniparib	BE0001717	PARP1	P09874	PARP1_HUMAN				Investigational	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Enzyme Inhibitors; Benzoates; Acids, Carbocyclic; Poly(ADP-ribose) Polymerase Inhibitors; Amides; Benzene Derivatives; Antineoplastic Agents"	NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O							D09913				Iniparib	CHEMBL1170047	
DB13893	Crotalus adamanteus antivenin	BE0000070	PLA2G10	O15496	PA2GX_HUMAN	antagonist			Approved; Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Antivenins; Venom Neutralization; Passively Acquired Immunity							347911462							885185
DB13894	Agkistrodon piscivorus antivenin	BE0000070	PLA2G10	O15496	PA2GX_HUMAN	antagonist	28633930	"Jia Y, Ermolinsky B, Garza A, Provenzano D: Phospholipase A2 in the venom of three cottonmouth snakes. Toxicon. 2017 Sep 1;135:84-92. doi: 10.1016/j.toxicon.2017.06.010. Epub 2017 Jun 17."	Approved; Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Antivenins; Venom Neutralization; Passively Acquired Immunity							347911463							885183
DB13908	Amylmetacresol	BE0002081	SCN2A	Q99250	SCN2A_HUMAN	antagonist	19367399	"Buchholz V, Leuwer M, Ahrens J, Foadi N, Krampfl K, Haeseler G: Topical antiseptics for the treatment of sore throat block voltage-gated neuronal sodium channels in a local anaesthetic-like manner. Naunyn Schmiedebergs Arch Pharmacol. 2009 Aug;380(2):161-8. doi: 10.1007/s00210-009-0416-x. Epub 2009 Apr 15."	Approved	Meta cresols	Organic compounds; Benzenoids; Phenols; Cresols	"Anti-Infective Agents, Local; Phenols; Benzene Derivatives; Miscellaneous Anti-infectives"	CCCCCC1=CC=C(C)C=C1O					7095						Amylmetacresol	CHEMBL1512677	236248
DB13923	Emicizumab	BE0000364	F9	P00740	FA9_HUMAN	cofactor	26626991; 27223146; 6424437; 27207420	"Uchida N, Sambe T, Yoneyama K, Fukazawa N, Kawanishi T, Kobayashi S, Shima M: A first-in-human phase 1 study of ACE910, a novel factor VIII-mimetic bispecific antibody, in healthy subjects. Blood. 2016 Mar 31;127(13):1633-41. doi: 10.1182/blood-2015-06-650226. Epub 2015  Dec 1.@@Shima M, Hanabusa H, Taki M, Matsushita T, Sato T, Fukutake K, Fukazawa N, Yoneyama K, Yoshida H, Nogami K: Factor VIII-Mimetic Function of Humanized Bispecific Antibody in Hemophilia A. N Engl J Med. 2016 May 26;374(21):2044-53. doi: 10.1056/NEJMoa1511769.@@Chavin SI: Factor VIII: structure and function in blood clotting. Am J Hematol. 1984 Apr;16(3):297-306.@@Nogami K: Bispecific antibody mimicking factor VIII. Thromb Res. 2016 May;141 Suppl 2:S34-5. doi: 10.1016/S0049-3848(16)30361-9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Blood and Blood Forming Organs; Hemostatics; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Blood Coagulation Factors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Antihemorrhagic Agents, Miscellaneous"						22970						Emicizumab		1989795
DB13925	Dotatate gallium Ga-68	BE0003528	SSTR2	P30874	SSR2_HUMAN	binder	23522791	"Banerjee SR, Pomper MG: Clinical applications of Gallium-68. Appl Radiat Isot. 2013 Jun;76:2-13. doi: 10.1016/j.apradiso.2013.01.039. Epub 2013 Feb 20."	Approved; Investigational			"Peptides, Cyclic; Gallium Radioisotopes; Peptides; Positron Emitting Activity; Amino Acids, Peptides, and Proteins; Radioactive Diagnostic Agent"	[68Ga+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O													676679
DB13926	Cenegermin	BE0001039	NTRK1	P04629	NTRK1_HUMAN	stimulator			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Intercellular Signaling Peptides and Proteins; Ophthalmologicals; Recombinant Human Nerve Growth Factor; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Sensory Organs; Nerve Growth Factors"						23098						Cenegermin		2104332
DB13926	Cenegermin	BE0010540	NGFR	P08138	TNR16_HUMAN	stimulator			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Biological Factors; Intercellular Signaling Peptides and Proteins; Ophthalmologicals; Recombinant Human Nerve Growth Factor; Nerve Tissue Proteins; Peptides; Proteins; Amino Acids, Peptides, and Proteins; Sensory Organs; Nerve Growth Factors"						23098						Cenegermin		2104332
DB13929	Relcovaptan	BE0000844	OXTR	P30559	OXYR_HUMAN	antagonist	10519430; 21130036	"Akerlund M, Bossmar T, Brouard R, Kostrzewska A, Laudanski T, Lemancewicz A, Serradeil-Le Gal C, Steinwall M: Receptor binding of oxytocin and vasopressin antagonists and inhibitory effects on isolated myometrium from preterm and term pregnant women. Br J Obstet Gynaecol. 1999 Oct;106(10):1047-53.@@Pierzynski P: Oxytocin and vasopressin V(1A) receptors as new therapeutic targets in assisted reproduction. Reprod Biomed Online. 2011 Jan;22(1):9-16. doi: 10.1016/j.rbmo.2010.09.015. Epub  2010 Oct 14."	Investigational			"Heterocyclic Compounds, Fused-Ring; Hematologic Agents; Hormone Antagonists; Antiplatelet agents; Hormones, Hormone Substitutes, and Hormone Antagonists"	COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl											Relcovaptan	CHEMBL419667	
DB13930	Ulixertinib	BE0000923	MAPK1	P28482	MK01_HUMAN	inhibitor	28939558	"Germann UA, Furey BF, Markland W, Hoover RR, Aronov AM, Roix JJ, Hale M, Boucher DM, Sorrell DA, Martinez-Botella G, Fitzgibbon M, Shapiro P, Wick MJ, Samadani R, Meshaw K, Groover A, DeCrescenzo G, Namchuk M, Emery CM, Saha S, Welsch DJ: Targeting the MAPK Signaling Pathway in Cancer: Promising Preclinical Activity with the Novel Selective ERK1/2 Inhibitor BVD-523 (Ulixertinib). Mol Cancer Ther. 2017 Nov;16(11):2351-2363. doi: 10.1158/1535-7163.MCT-17-0456. Epub 2017 Sep 22."	Investigational			Amines; Pyridines	[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C												CHEMBL3590106	
DB13931	Netarsudil	BE0001016	ROCK1	Q13464	ROCK1_HUMAN	inhibitor			Approved	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Ophthalmologicals; Alanine; Acids, Carbocyclic; Rho Kinase Inhibitors; Antiglaucoma Preparations and Miotics; Rho Kinase Inhibitor; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Prostaglandins, Synthetic; Sensory Organs"	CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1											Netarsudil		1992864
DB13931	Netarsudil	BE0004191	ROCK2	O75116	ROCK2_HUMAN	inhibitor			Approved	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Ophthalmologicals; Alanine; Acids, Carbocyclic; Rho Kinase Inhibitors; Antiglaucoma Preparations and Miotics; Rho Kinase Inhibitor; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Prostaglandins, Synthetic; Sensory Organs"	CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1											Netarsudil		1992864
DB13931	Netarsudil	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	28609185	"Lin CW, Sherman B, Moore LA, Laethem CL, Lu DW, Pattabiraman PP, Rao PV, deLong MA, Kopczynski CC: Discovery and Preclinical Development of Netarsudil, a Novel Ocular Hypotensive Agent for the Treatment of Glaucoma. J Ocul Pharmacol Ther. 2017 Jun 13. doi: 10.1089/jop.2017.0023."	Approved	Beta amino acids and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Amino Acids; Ophthalmologicals; Alanine; Acids, Carbocyclic; Rho Kinase Inhibitors; Antiglaucoma Preparations and Miotics; Rho Kinase Inhibitor; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Prostaglandins, Synthetic; Sensory Organs"	CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1											Netarsudil		1992864
DB13933	Nonacog beta pegol	BE0000016	F8	P00451	FA8_HUMAN	cofactor			Approved; Investigational			"Biological Factors; Enzyme Precursors; Enzymes and Coenzymes; Hemostatics; Polymers; Proteins; Blood Coagulation Factors; Macromolecular Substances; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins; Compounds used in a research, industrial, or household setting"						22916						Factor_IX		1990855
DB13940	"2,5-Dimethoxy-4-ethylthioamphetamine"	BE0000533	HTR2C	P28335	5HT2C_HUMAN	agonist	11191631	"Acuna-Castillo C, Scorza C, Reyes-Parada M, Cassels BK, Huidobro-Toro JP: ALEPH-2, a suspected anxiolytic and putative hallucinogenic phenylisopropylamine derivative, is a 5-HT2a and 5-HT2c receptor agonist. Life Sci. 2000 Nov 17;67(26):3241-7."	Experimental	Amphetamines and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines	Amphetamines; Serotonin Agents; Amines; Central Nervous System Depressants; Phenethylamines; Serotonin Receptor Agonists; Sympathomimetics; Agents that produce hypertension; Agents producing tachycardia; Ethylamines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Serotonin 5-HT2 Receptor Agonists	CCSC1=CC(OC)=C(CC(C)N)C=C1OC												CHEMBL339611	
DB13943	Testosterone cypionate	BE0000123	ESR1	P03372	ESR1_HUMAN		12676605	"Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Delayed-Action Preparations; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7487		D00957				Testosterone_cypionate	CHEMBL1201101	
DB13943	Testosterone cypionate	BE0000668	NR3C2	P08235	MCR_HUMAN		17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A7 Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Delayed-Action Preparations; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Anabolic Agents; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7487		D00957				Testosterone_cypionate	CHEMBL1201101	
DB13944	Testosterone enanthate	BE0000123	ESR1	P03372	ESR1_HUMAN		12676605	"Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7486						Testosterone_enanthate	CHEMBL1200335	
DB13944	Testosterone enanthate	BE0000668	NR3C2	P08235	MCR_HUMAN		17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"Androgens; Androstenols; Cytochrome P-450 CYP3A Substrates; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Contraceptive Agents, Male; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Hormones; Cytochrome P-450 CYP2C19 Substrates; BCRP/ABCG2 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Adrenal Cortex Hormones; Gonadal Hormones; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Androstanes; Cytochrome P-450 CYP3A4 Substrates; Androstenes; Testosterone and derivatives; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; OAT3/SLC22A8 Inducers; Cytochrome P-450 CYP3A7 Substrates; Testosterone Congeners; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7486						Testosterone_enanthate	CHEMBL1200335	
DB13949	Ferric cation	BE0008725	TFRC	P02786	TFR1_HUMAN	agonist	16564538; 24310424; 25053935	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13.@@Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Waldvogel-Abramowski S, Waeber G, Gassner C, Buser A, Frey BM, Favrat B, Tissot JD: Physiology of iron metabolism. Transfus Med Hemother. 2014 Jun;41(3):213-21. doi: 10.1159/000362888. Epub 2014 May 12."	Approved			"Phosphate Chelating Activity; Polyvalent cation containing laxatives, antacids, oral supplements; Parenteral Iron Replacement; Iron Compounds; Phosphate Binder"	[Fe+3]													1546357
DB13951	Stanolone acetate	BE0000123	ESR1	P03372	ESR1_HUMAN		12676605	"Kojima H, Iida M, Katsura E, Kanetoshi A, Hori Y, Kobayashi K: Effects of a diphenyl ether-type herbicide, chlornitrofen, and its amino derivative on androgen and estrogen receptor activities. Environ Health Perspect. 2003 Apr;111(4):497-502."	Experimental	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	P-glycoprotein substrates; Testosterone and derivatives	[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C											Dihydrotestosterone_acetate	CHEMBL3275971	
DB13951	Stanolone acetate	BE0000668	NR3C2	P08235	MCR_HUMAN		17105867	"Takeda AN, Pinon GM, Bens M, Fagart J, Rafestin-Oblin ME, Vandewalle A: The synthetic androgen methyltrienolone (r1881) acts as a potent antagonist of the mineralocorticoid receptor. Mol Pharmacol. 2007 Feb;71(2):473-82. Epub 2006 Nov 14."	Experimental	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	P-glycoprotein substrates; Testosterone and derivatives	[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C											Dihydrotestosterone_acetate	CHEMBL3275971	
DB13952	Estradiol acetate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		11517245	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0000006	HSD17B2	P37059	DHB2_HUMAN		21972996	"Wetzel M, Marchais-Oberwinkler S, Perspicace E, Moller G, Adamski J, Hartmann RW: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17beta-hydroxysteroid dehydrogenase type 2 (17beta-HSD2) inhibitors. J Med Chem. 2011 Nov 10;54(21):7547-57. doi: 10.1021/jm2008453. Epub 2011 Oct 19."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13952	Estradiol acetate	BE0002088	ESRRG	P62508	ERR3_HUMAN	ligand	22935422	"Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP3A5 Substrates; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H]							D04061				Estradiol_acetate	CHEMBL1200430	
DB13953	Estradiol benzoate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		11517245	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0000006	HSD17B2	P37059	DHB2_HUMAN		21972996	"Wetzel M, Marchais-Oberwinkler S, Perspicace E, Moller G, Adamski J, Hartmann RW: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17beta-hydroxysteroid dehydrogenase type 2 (17beta-HSD2) inhibitors. J Med Chem. 2011 Nov 10;54(21):7547-57. doi: 10.1021/jm2008453. Epub 2011 Oct 19."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13953	Estradiol benzoate	BE0002088	ESRRG	P62508	ERR3_HUMAN	ligand	22935422	"Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23."	Approved; Investigational; Vet_approved	Estrane steroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C					7423						Estradiol_benzoate	CHEMBL282575	
DB13954	Estradiol cypionate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		11517245	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0000006	HSD17B2	P37059	DHB2_HUMAN		21972996	"Wetzel M, Marchais-Oberwinkler S, Perspicace E, Moller G, Adamski J, Hartmann RW: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17beta-hydroxysteroid dehydrogenase type 2 (17beta-HSD2) inhibitors. J Med Chem. 2011 Nov 10;54(21):7547-57. doi: 10.1021/jm2008453. Epub 2011 Oct 19."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13954	Estradiol cypionate	BE0002088	ESRRG	P62508	ERR3_HUMAN	ligand	22935422	"Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1							D04063				Estradiol_cypionate	CHEMBL1200973	
DB13955	Estradiol dienanthate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		11517245	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0000006	HSD17B2	P37059	DHB2_HUMAN		21972996	"Wetzel M, Marchais-Oberwinkler S, Perspicace E, Moller G, Adamski J, Hartmann RW: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17beta-hydroxysteroid dehydrogenase type 2 (17beta-HSD2) inhibitors. J Med Chem. 2011 Nov 10;54(21):7547-57. doi: 10.1021/jm2008453. Epub 2011 Oct 19."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13955	Estradiol dienanthate	BE0002088	ESRRG	P62508	ERR3_HUMAN	ligand	22935422	"Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Hormones; Cytochrome P-450 CYP2C19 Substrates; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C					7411						Estradiol_dienantate		
DB13956	Estradiol valerate	BE0000123	ESR1	P03372	ESR1_HUMAN	agonist	17125913; 17138652; 2011412; 11752352	"Brama M, Gnessi L, Basciani S, Cerulli N, Politi L, Spera G, Mariani S, Cherubini S, Scotto d'Abusco A, Scandurra R, Migliaccio S: Cadmium induces mitogenic signaling in breast cancer cell by an ERalpha-dependent mechanism. Mol Cell Endocrinol. 2007 Jan 29;264(1-2):102-8. Epub 2006 Nov 27.@@Lehnes K, Winder AD, Alfonso C, Kasid N, Simoneaux M, Summe H, Morgan E, Iann MC, Duncan J, Eagan M, Tavaluc R, Evans CH Jr, Russell R, Wang A, Hu F, Stoica A: The effect of estradiol on in vivo tumorigenesis is modulated by the human epidermal growth factor receptor 2/phosphatidylinositol 3-kinase/Akt1 pathway. Endocrinology. 2007 Mar;148(3):1171-80. Epub 2006 Nov 30.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0000792	ESR2	Q92731	ESR2_HUMAN	agonist	17464340; 2011412	"Vijayanathan V, Greenfield NJ, Thomas TJ, Ivanova MM, Tyulmenkov VV, Klinge CM, Gallo MA, Thomas T: Effects of estradiol and 4-hydroxytamoxifen on the conformation, thermal stability, and DNA recognition of estrogen receptor beta. Biochem Cell Biol. 2007 Feb;85(1):1-10.@@Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		17327420	"Xue Y, Moore LB, Orans J, Peng L, Bencharit S, Kliewer SA, Redinbo MR: Crystal structure of the pregnane X receptor-estradiol complex provides insights into endobiotic recognition. Mol Endocrinol. 2007 May;21(5):1028-38. Epub 2007 Feb 27."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0000849	CHRNA4	P43681	ACHA4_HUMAN		11517245	"Paradiso K, Zhang J, Steinbach JH: The C terminus of the human nicotinic alpha4beta2 receptor forms a binding site required for potentiation by an estrogenic steroid. J Neurosci. 2001 Sep 1;21(17):6561-8."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0003740	NCOA2	Q15596	NCOA2_HUMAN		15123288	"Geistlinger TR, McReynolds AC, Guy RK: Ligand-selective inhibition of the interaction of steroid receptor coactivators and estrogen receptor isoforms. Chem Biol. 2004 Feb;11(2):273-81."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0003446	GPER1	Q99527	GPER1_HUMAN		17088055	"Thomas P, Dong J: Binding and activation of the seven-transmembrane estrogen receptor GPR30 by environmental estrogens: a potential novel mechanism of endocrine disruption. J Steroid Biochem Mol Biol. 2006 Dec;102(1-5):175-9. Epub 2006 Nov 7."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0000006	HSD17B2	P37059	DHB2_HUMAN		21972996	"Wetzel M, Marchais-Oberwinkler S, Perspicace E, Moller G, Adamski J, Hartmann RW: Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17beta-hydroxysteroid dehydrogenase type 2 (17beta-HSD2) inhibitors. J Med Chem. 2011 Nov 10;54(21):7547-57. doi: 10.1021/jm2008453. Epub 2011 Oct 19."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13956	Estradiol valerate	BE0002088	ESRRG	P62508	ERR3_HUMAN	ligand	22935422	"Babu S, Vellore NA, Kasibotla AV, Dwayne HJ, Stubblefield MA, Uppu RM: Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma. Biochem Biophys Res Commun. 2012 Sep 21;426(2):215-20. doi: 10.1016/j.bbrc.2012.08.065. Epub 2012 Aug 23."	Approved; Investigational; Vet_approved	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (weak); OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Estradiol, agonists; Estradiol Congeners; Estrenes; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Estranes; Hormonal Contraceptives for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; P-glycoprotein substrates; Steroids; Estrogen Contraceptives; Cytochrome P-450 CYP2C19 Substrates; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; Gonadal Hormones; Organic Anion Transporting Polypeptide 2B1 Inhibitors; Thyroxine-binding globulin inducers; Cytochrome P-450 CYP3A4 Substrates; Gonadal Steroid Hormones; Cytochrome P-450 CYP2C9 Substrates; Estrogens; UGT1A1 Substrates; Cytochrome P-450 CYP3A Inducers; OCT1 inhibitors; Contraceptive Agents, Female; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3					7420						Estradiol_valerate	CHEMBL1511	
DB13961	Fish oil	BE0009739	CACNA1C	O00305	CACB4_HUMAN	inhibitor	22393325; 9760040; 19419761; 22973228; 28220076	"Visioli F, Giordano E, Nicod NM, Davalos A: Molecular targets of omega 3 and conjugated linoleic Fatty acids - ""micromanaging"" cellular response. Front Physiol. 2012 Feb 29;3:42. doi: 10.3389/fphys.2012.00042. eCollection 2012.@@Hazama H, Nakajima T, Asano M, Iwasawa K, Morita T, Igarashi K, Nagata T, Horiuchi T, Suzuki J, Soma M, Okuda Y: Omega-3 polyunsaturated fatty acids--modulation of voltage-dependent L-type Ca2+ current in guinea-pig tracheal smooth muscle cells. Eur J Pharmacol. 1998 Aug 21;355(2-3):257-66. doi: 10.1016/s0014-2999(98)00484-1.@@Roberts-Crowley ML, Mitra-Ganguli T, Liu L, Rittenhouse AR: Regulation of voltage-gated Ca2+ channels by lipids. Cell Calcium. 2009 Jun;45(6):589-601. doi: 10.1016/j.ceca.2009.03.015. Epub 2009 May 6.@@Moreno C, Macias A, Prieto A, De La Cruz A, Valenzuela C: Polyunsaturated Fatty acids modify the gating of kv channels. Front Pharmacol. 2012 Sep 10;3:163. doi: 10.3389/fphar.2012.00163. eCollection 2012.@@Elinder F, Liin SI: Actions and Mechanisms of Polyunsaturated Fatty Acids on Voltage-Gated Ion Channels. Front Physiol. 2017 Feb 6;8:43. doi: 10.3389/fphys.2017.00043. eCollection 2017."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13961	Fish oil	BE0004901	SCN1A	Q8IWT1	SCN4B_HUMAN	inhibitor	22393325	"Visioli F, Giordano E, Nicod NM, Davalos A: Molecular targets of omega 3 and conjugated linoleic Fatty acids - ""micromanaging"" cellular response. Front Physiol. 2012 Feb 29;3:42. doi: 10.3389/fphys.2012.00042. eCollection 2012."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13961	Fish oil	BE0004903	NFKB2	P19838	NFKB1_HUMAN	regulator	28760435	"Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13961	Fish oil	BE0000071	PPARA	Q07869	PPARA_HUMAN	regulator	28760435	"Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13961	Fish oil	BE0000215	PPARG	P37231	PPARG_HUMAN		28760435	"Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13961	Fish oil	BE0001007	PPARD	Q03181	PPARD_HUMAN	regulator	28760435	"Rodriguez-Cruz M, Serna DS: Nutrigenomics of omega-3 fatty acids: Regulators of the master transcription factors. Nutrition. 2017 Sep;41:90-96. doi: 10.1016/j.nut.2017.04.012. Epub 2017 May 2."	Approved; Nutraceutical			Antiarrhythmic agents; Fish Oils; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Oils; Calcium Channel Blockers; Lipids; Cytochrome P-450 CYP3A Substrates; Vasodilating Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates						638						Fish_oil		4419
DB13983	"5,7,2_-trihydroxy-6,8-dimethoxyflavone"	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	14637197	"Huen MS, Hui KM, Leung JW, Sigel E, Baur R, Wong JT, Xue H: Naturally occurring 2'-hydroxyl-substituted flavonoids as high-affinity benzodiazepine site ligands. Biochem Pharmacol. 2003 Dec 15;66(12):2397-407."	Experimental				COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O												CHEMBL488994	
DB13985	Lutetium Lu 177 dotatate	BE0003528	SSTR2	P30874	SSR2_HUMAN	agonist	22388631	"Kam BL, Teunissen JJ, Krenning EP, de Herder WW, Khan S, van Vliet EI, Kwekkeboom DJ: Lutetium-labelled peptides for therapy of neuroendocrine tumours. Eur J Nucl Med Mol Imaging. 2012 Feb;39 Suppl 1:S103-12. doi: 10.1007/s00259-011-2039-y."	Approved; Investigational			"Indicators and Reagents; Diagnostic Uses of Chemicals; Peptides, Cyclic; Radiopharmaceuticals; Peptides; Somatostatin and Analogues; Radiolabeled Somatostatin Analogs; Amino Acids, Peptides, and Proteins; Lutetium; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	[177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O													1999335
DB13988	SB-269970	BE0000650	HTR7	P34969	5HT7R_HUMAN	antagonist	10669560	"Lovell PJ, Bromidge SM, Dabbs S, Duckworth DM, Forbes IT, Jennings AJ, King FD, Middlemiss DN, Rahman SK, Saunders DV, Collin LL, Hagan JJ, Riley GJ, Thomas DR: A novel, potent, and selective 5-HT(7) antagonist: (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl) phen ol (SB-269970). J Med Chem. 2000 Feb 10;43(3):342-5."	Investigational			Sulfones; Sulfur Compounds; Amides; Benzene Derivatives	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1											SB-269970	CHEMBL282199	
DB13994	AZD-7325	BE0000523	GABRA3	P34903	GBRA3_HUMAN	positive allosteric modulator	22122233; 24802722	"Zhou D, Sunzel M, Ribadeneira MD, Smith MA, Desai D, Lin J, Grimm SW: A clinical study to assess CYP1A2 and CYP3A4 induction by AZD7325, a selective GABA(A) receptor modulator - an in vitro and in vivo comparison. Br J Clin Pharmacol. 2012 Jul;74(1):98-108. doi: 10.1111/j.1365-2125.2011.04155.x.@@Chen X, Jacobs G, de Kam M, Jaeger J, Lappalainen J, Maruff P, Smith MA, Cross AJ, Cohen A, van Gerven J: The central nervous system effects of the partial GABA-Aalpha2,3 -selective receptor modulator AZD7325 in comparison with lorazepam in healthy males. Br J Clin Pharmacol. 2014 Dec;78(6):1298-314. doi: 10.1111/bcp.12413."	Investigational			"GABA Modulators; Heterocyclic Compounds, Fused-Ring"	CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC												CHEMBL1783282	
DB13994	AZD-7325	BE0000381	GABRA2	P47869	GBRA2_HUMAN	positive allosteric modulator	22122233; 24802722	"Zhou D, Sunzel M, Ribadeneira MD, Smith MA, Desai D, Lin J, Grimm SW: A clinical study to assess CYP1A2 and CYP3A4 induction by AZD7325, a selective GABA(A) receptor modulator - an in vitro and in vivo comparison. Br J Clin Pharmacol. 2012 Jul;74(1):98-108. doi: 10.1111/j.1365-2125.2011.04155.x.@@Chen X, Jacobs G, de Kam M, Jaeger J, Lappalainen J, Maruff P, Smith MA, Cross AJ, Cohen A, van Gerven J: The central nervous system effects of the partial GABA-Aalpha2,3 -selective receptor modulator AZD7325 in comparison with lorazepam in healthy males. Br J Clin Pharmacol. 2014 Dec;78(6):1298-314. doi: 10.1111/bcp.12413."	Investigational			"GABA Modulators; Heterocyclic Compounds, Fused-Ring"	CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC												CHEMBL1783282	
DB13996	Magnesium acetate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		16808357; 16928192; 16990961; 17294093	"Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202."	Approved	Acetate salts	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Fatty Acids, Volatile; Agents that produce neuromuscular block (indirect); Laxatives; Lipids; Acids, Acyclic; Fatty Acids"	[Mg++].CC([O-])=O.CC([O-])=O					5253						Magnesium_acetate	CHEMBL1200691	
DB13998	Lonoctocog alfa	BE0000364	F9	P00740	FA9_HUMAN	cofactor	1119107; 2994716; 14240634; 932529; 6422634	"Hule V: [Factor IX inhibitor (antihemophilic factor B, PTC) in a woman]. Vnitr Lek. 1975 Mar;21(3):274-7.@@Yoshitake S, Schach BG, Foster DC, Davie EW, Kurachi K: Nucleotide sequence of the gene for human factor IX (antihemophilic factor B). Biochemistry. 1985 Jul 2;24(14):3736-50.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF ANTIHEMOPHILIC FACTOR (FACTOR 8) BY ACTIVATED CHRISTMAS FACTOR (ACTIVATED FACTOR9 9). Biochemistry. 1964 Nov;3:1720-5.@@Hoofnagle JH, Gerety RJ, Thiel J, Barker LF: The prevalence of hepatitis B surface antigen in commercially prepared plasma products. J Lab Clin Med. 1976 Jul;88(1):102-13.@@Prince AM, Horowitz B, Brotman B, Huima T, Richardson L, van den Ende MC: Inactivation of hepatitis B and Hutchinson strain non-A, non-B hepatitis viruses by exposure to Tween 80 and ether. Vox Sang. 1984;46(1):36-43."	Approved; Investigational			Hemostatics						22826						Factor_VIII_(medication)		
DB13998	Lonoctocog alfa	BE0001043	VWF	P04275	VWF_HUMAN	binder	10938981; 11858481; 14750934; 2128855; 2942172	"Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11."	Approved; Investigational			Hemostatics						22826						Factor_VIII_(medication)		
DB13998	Lonoctocog alfa	BE0002117	PHYH	O14832	PAHX_HUMAN	antagonist	17139284; 17016423; 11574539	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6."	Approved; Investigational			Hemostatics						22826						Factor_VIII_(medication)		
DB13998	Lonoctocog alfa	BE0002110	LRP1	Q07954	LRP1_HUMAN	modulator	17139284; 17016423; 21391865	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11."	Approved; Investigational			Hemostatics						22826						Factor_VIII_(medication)		
DB13998	Lonoctocog alfa	BE0002120	MCFD2	Q8NI22	MCFD2_HUMAN	modulator	17139284; 17016423; 15886209	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10."	Approved; Investigational			Hemostatics						22826						Factor_VIII_(medication)		
DB13999	Moroctocog alfa	BE0000364	F9	P00740	FA9_HUMAN	cofactor	1119107; 2994716; 14240634; 932529; 6422634	"Hule V: [Factor IX inhibitor (antihemophilic factor B, PTC) in a woman]. Vnitr Lek. 1975 Mar;21(3):274-7.@@Yoshitake S, Schach BG, Foster DC, Davie EW, Kurachi K: Nucleotide sequence of the gene for human factor IX (antihemophilic factor B). Biochemistry. 1985 Jul 2;24(14):3736-50.@@LUNDBLAD RL, DAVIE EW: THE ACTIVATION OF ANTIHEMOPHILIC FACTOR (FACTOR 8) BY ACTIVATED CHRISTMAS FACTOR (ACTIVATED FACTOR9 9). Biochemistry. 1964 Nov;3:1720-5.@@Hoofnagle JH, Gerety RJ, Thiel J, Barker LF: The prevalence of hepatitis B surface antigen in commercially prepared plasma products. J Lab Clin Med. 1976 Jul;88(1):102-13.@@Prince AM, Horowitz B, Brotman B, Huima T, Richardson L, van den Ende MC: Inactivation of hepatitis B and Hutchinson strain non-A, non-B hepatitis viruses by exposure to Tween 80 and ether. Vox Sang. 1984;46(1):36-43."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						12787		D08232				Moroctocog_alfa	CHEMBL2109137	
DB13999	Moroctocog alfa	BE0001043	VWF	P04275	VWF_HUMAN	binder	10938981; 11858481; 14750934; 2128855; 2942172	"Shord SS, Lindley CM: Coagulation products and their uses. Am J Health Syst Pharm. 2000 Aug 1;57(15):1403-17; quiz 1418-20.@@Lillicrap D, Poon MC, Walker I, Xie F, Schwartz BA: Efficacy and safety of the factor VIII/von Willebrand factor concentrate, haemate-P/humate-P: ristocetin cofactor unit dosing in patients with von Willebrand disease. Thromb Haemost. 2002 Feb;87(2):224-30.@@Gill JC, Ewenstein BM, Thompson AR, Mueller-Velten G, Schwartz BA: Successful treatment of urgent bleeding in von Willebrand disease with factor VIII/VWF concentrate (Humate-P): use of the ristocetin cofactor assay (VWF:RCo) to measure potency and to guide therapy. Haemophilia. 2003 Nov;9(6):688-95.@@Smith KJ, Lusher JM, Cohen AR, Salzman P: Initial clinical experience with a new pasteurized monoclonal antibody purified factor VIIIC. Semin Hematol. 1990 Apr;27(2 Suppl 2):25-9.@@Altieri DC, Capitanio AM, Mannucci PM: von Willebrand factor contaminating porcine factor VIII concentrate (Hyate:C) causes platelet aggregation. Br J Haematol. 1986 Aug;63(4):703-11."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						12787		D08232				Moroctocog_alfa	CHEMBL2109137	
DB13999	Moroctocog alfa	BE0002117	PHYH	O14832	PAHX_HUMAN	antagonist	17139284; 17016423; 11574539	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Chen C, Wang Q, Fang X, Xu Q, Chi C, Gu J: Roles of phytanoyl-CoA alpha-hydroxylase in mediating the expression of human coagulation factor VIII. J Biol Chem. 2001 Dec 7;276(49):46340-6."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						12787		D08232				Moroctocog_alfa	CHEMBL2109137	
DB13999	Moroctocog alfa	BE0002110	LRP1	Q07954	LRP1_HUMAN	modulator	17139284; 17016423; 21391865	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Franchini M, Montagnana M: Low-density lipoprotein receptor-related protein 1: new functions for an old molecule. Clin Chem Lab Med. 2011 Jun;49(6):967-70. doi: 10.1515/CCLM.2011.154. Epub 2011 Mar 11."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						12787		D08232				Moroctocog_alfa	CHEMBL2109137	
DB13999	Moroctocog alfa	BE0002120	MCFD2	Q8NI22	MCFD2_HUMAN	modulator	17139284; 17016423; 15886209	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Zhang B, Kaufman RJ, Ginsburg D: LMAN1 and MCFD2 form a cargo receptor complex and interact with coagulation factor VIII in the early secretory pathway. J Biol Chem. 2005 Jul 8;280(27):25881-6. Epub 2005 May 10."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Amino Acids, Peptides, and Proteins"						12787		D08232				Moroctocog_alfa	CHEMBL2109137	
DB14001	alpha-Tocopherol succinate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16603143; 16880233	"Rabovsky A, Cuomo J, Eich N: Measurement of plasma antioxidant reserve after supplementation with various antioxidants in healthy subjects. Clin Chim Acta. 2006 Sep;371(1-2):55-60. Epub 2006 Mar 6.@@Meijerman I, Beijnen JH, Schellens JH: Herb-drug interactions in oncology: focus on mechanisms of induction. Oncologist. 2006 Jul-Aug;11(7):742-52."	Approved; Nutraceutical; Vet_approved	Vitamin E compounds	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1					701							CHEMBL81421	
DB14001	alpha-Tocopherol succinate	BE0000872	PRKCB	P05771	KPCB_HUMAN		17139284; 17016423; 15184978; 11850093; 10644549	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52."	Approved; Nutraceutical; Vet_approved	Vitamin E compounds	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1					701							CHEMBL81421	
DB14001	alpha-Tocopherol succinate	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved	Vitamin E compounds	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1					701							CHEMBL81421	
DB14001	alpha-Tocopherol succinate	BE0009935	DGKA	Q13574	DGKZ_HUMAN		17320164; 15773894	"Zingg JM: Modulation of signal transduction by vitamin E. Mol Aspects Med. 2007 Oct-Dec;28(5-6):481-506. doi: 10.1016/j.mam.2006.12.009. Epub 2007 Jan 12.@@Fukunaga-Takenaka R, Shirai Y, Yagi K, Adachi N, Sakai N, Merino E, Merida I, Saito N: Importance of chroman ring and tyrosine phosphorylation in the subtype-specific translocation and activation of diacylglycerol kinase alpha by D-alpha-tocopherol. Genes Cells. 2005 Apr;10(4):311-9. doi: 10.1111/j.1365-2443.2005.00842.x."	Approved; Nutraceutical; Vet_approved	Vitamin E compounds	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1					701							CHEMBL81421	
DB14002	D-alpha-Tocopherol acetate	BE0000956	NR1I2	O75469	NR1I2_HUMAN		16603143; 16880233	"Rabovsky A, Cuomo J, Eich N: Measurement of plasma antioxidant reserve after supplementation with various antioxidants in healthy subjects. Clin Chim Acta. 2006 Sep;371(1-2):55-60. Epub 2006 Mar 6.@@Meijerman I, Beijnen JH, Schellens JH: Herb-drug interactions in oncology: focus on mechanisms of induction. Oncologist. 2006 Jul-Aug;11(7):742-52."	Approved; Nutraceutical; Vet_approved			"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1					2295		D01735				Tocopheryl_acetate	CHEMBL1047	1441649
DB14002	D-alpha-Tocopherol acetate	BE0000872	PRKCB	P05771	KPCB_HUMAN		17139284; 17016423; 15184978; 11850093; 10644549	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wigg SJ, Tare M, Forbes J, Cooper ME, Thomas MC, Coleman HA, Parkington HC, O'Brien RC: Early vitamin E supplementation attenuates diabetes-associated vascular dysfunction and the rise in protein kinase C-beta in mesenteric artery and ameliorates wall stiffness in femoral artery of Wistar rats. Diabetologia. 2004 Jun;47(6):1038-46. Epub 2004 Jun 8.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83.@@Ganz MB, Seftel A: Glucose-induced changes in protein kinase C and nitric oxide are prevented by vitamin E. Am J Physiol Endocrinol Metab. 2000 Jan;278(1):E146-52."	Approved; Nutraceutical; Vet_approved			"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1					2295		D01735				Tocopheryl_acetate	CHEMBL1047	1441649
DB14002	D-alpha-Tocopherol acetate	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved			"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1					2295		D01735				Tocopheryl_acetate	CHEMBL1047	1441649
DB14006	Choline salicylate	BE0000494	PCYT1B	Q9Y5K3	PCY1B_HUMAN	product of	17139284; 17016423; 15798219	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Wang L, Magdaleno S, Tabas I, Jackowski S: Early embryonic lethality in mice with targeted deletion of the CTP:phosphocholine cytidylyltransferase alpha gene (Pcyt1a). Mol Cell Biol. 2005 Apr;25(8):3357-63."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14006	Choline salicylate	BE0000615	PCYT1A	P49585	PCY1A_HUMAN	product of	17184542; 17218027	"Enaw JO, Zhu H, Yang W, Lu W, Shaw GM, Lammer EJ, Finnell RH: CHKA and PCYT1A gene polymorphisms, choline intake and spina bifida risk in a California population. BMC Med. 2006 Dec 21;4:36.@@Li L, She H, Yue SJ, Qin XQ, Guan CX, Liu HJ, Luo ZQ: Role of c-fos gene in vasoactive intestinal peptide promoted synthesis of pulmonary surfactant phospholipids. Regul Pept. 2007 May 3;140(3):117-24. Epub 2007 Jan 10."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14006	Choline salicylate	BE0002179	PLD2	O14939	PLD2_HUMAN	product of	16179605; 16459925; 17627030; 16921342; 16878701	"Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13.@@Singh AT, Frohman MA, Stern PH: Parathyroid hormone stimulates phosphatidylethanolamine hydrolysis by phospholipase D in osteoblastic cells. Lipids. 2005 Nov;40(11):1135-40.@@Paruch S, Heinis M, Lemay J, Hoeffel G, Maranon C, Hosmalin A, Perianin A: CCR5 signaling through phospholipase D involves p44/42 MAP-kinases and promotes HIV-1 LTR-directed gene expression. FASEB J. 2007 Dec;21(14):4038-46. Epub 2007 Jul 12.@@Szumilo M, Rahden-Staron I: [Phospholipase D in mammalian cells: structure, properties, physiological and pathological role]. Postepy Hig Med Dosw (Online). 2006;60:421-30.@@Fensome-Green A, Cockcroft S: Reconstitution system based on cytosol-depleted cells to study the regulation of phospholipase D. Methods Mol Biol. 2006;332:299-310."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14006	Choline salicylate	BE0002180	BCHE	P06276	CHLE_HUMAN	product of	17329059; 16297435; 17636231; 17390078; 16376069	"Hsieh BC, Matsumoto K, Cheng TJ, Yuu G, Chen RL: Choline biosensor constructed with chitinous membrane from soldier crab and its application in measuring cholinesterase inhibitory activities. J Pharm Biomed Anal. 2007 Nov 30;45(4):673-8. Epub 2007 Jan 24.@@Amenta F, Tayebati SK, Vitali D, Di Tullio MA: Association with the cholinergic precursor choline alphoscerate and the cholinesterase inhibitor rivastigmine: an approach for enhancing cholinergic neurotransmission. Mech Ageing Dev. 2006 Feb;127(2):173-9. Epub 2005 Nov 16.@@Lurie S, Sadan O, Oron G, Fux A, Boaz M, Ezri T, Golan A, Bar J: Reduced pseudocholinesterase activity in patients with HELLP syndrome. Reprod Sci. 2007 Feb;14(2):192-6.@@Calaf GM, Roy D: Gene expression signature of parathion-transformed human breast epithelial cells. Int J Mol Med. 2007 May;19(5):741-50.@@Stoytcheva M, Zlatev R, Valdez B, Magnin JP, Velkova Z: Electrochemical sensor based on Arthrobacter globiformis for cholinesterase activity determination. Biosens Bioelectron. 2006 Jul 15;22(1):1-9. Epub 2005 Dec 20."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14006	Choline salicylate	BE0002181	PLD1	Q13393	PLD1_HUMAN	product of	16179605	"Lee JS, Kim JH, Jang IH, Kim HS, Han JM, Kazlauskas A, Yagisawa H, Suh PG, Ryu SH: Phosphatidylinositol (3,4,5)-trisphosphate specifically interacts with the phox homology domain of phospholipase D1 and stimulates its activity. J Cell Sci. 2005 Oct 1;118(Pt 19):4405-13."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14006	Choline salicylate	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		12626641	"Zhao L, Kuo YP, George AA, Peng JH, Purandare MS, Schroeder KM, Lukas RJ, Wu J: Functional properties of homomeric, human alpha 7-nicotinic acetylcholine receptors heterologously expressed in the SH-EP1 human epithelial cell line. J Pharmacol Exp Ther. 2003 Jun;305(3):1132-41. Epub 2003 Mar 6."	Approved; Nutraceutical	Salicylic acids	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Quaternary Ammonium Compounds; OCT2 Inhibitors; Amines; Trimethyl Ammonium Compounds; Hydroxybenzoates; Benzene Derivatives; OCT2 Substrates; Amino Alcohols; OCT1 substrates; Benzoates; Hydroxy Acids; Phenols; Alcohols; Drugs that are Mainly Renally Excreted; Salicylates; Onium Compounds; Acids, Carbocyclic; Analgesics; Pharmaceutical Preparations; Salicylic Acid and Derivatives; OCT1 inhibitors; Ethanolamines; Nervous System"	C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O					4947		D00810				Choline	CHEMBL2104095	
DB14009	Medical Cannabis	BE0000095	CNR2	P34972	CNR2_HUMAN		17828291	"Pertwee RG: The diverse CB1 and CB2 receptor pharmacology of three plant cannabinoids: delta9-tetrahydrocannabinol, cannabidiol and delta9-tetrahydrocannabivarin. Br J Pharmacol. 2008 Jan;153(2):199-215. doi: 10.1038/sj.bjp.0707442. Epub 2007 Sep 10."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000433	GLRA1	P23415	GLRA1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0004857	GLRA1	P48167	GLRB_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000414	GLRA3	O75311	GLRA3_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0005802	GPR55	Q9Y2T6	GPR55_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000215	PPARG	P37231	PPARG_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN		26264914; 11606325; 25029033	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Bisogno T, Hanus L, De Petrocellis L, Tchilibon S, Ponde DE, Brandi I, Moriello AS, Davis JB, Mechoulam R, Di Marzo V: Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide. Br J Pharmacol. 2001 Oct;134(4):845-52. doi: 10.1038/sj.bjp.0704327.@@Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000483	CACNA1G	O43497	CAC1G_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0001122	TRPA1	O75762	TRPA1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0009159	TRPV4	Q9HBA0	TRPV4_HUMAN				Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0002468	VDAC1	P21796	VDAC1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0009156	NAAA	Q02083	NAAA_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0002390	SOD1	P00441	SODC_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0002194	FAAH	O00519	FAAH1_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000648	GSR	P00390	GSHR_HUMAN	inducer	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000574	HMGCR	P04035	HMDH_HUMAN	inducer	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14009	Medical Cannabis	BE0000069	ACAT1	P24752	THIL_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Experimental; Investigational			Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); UGT2B7 substrates; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Agents producing tachycardia; UGT2B17 substrates; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cytochrome P-450 CYP2D6 Substrates; UGT2B7 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (moderate); UGT2B7 inducers; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Cytochrome P-450 CYP2C9 Substrates; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)												Medical_cannabis		2168435
DB14011	Nabiximols	BE0000095	CNR2	P34972	CNR2_HUMAN				Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000433	GLRA1	P23415	GLRA1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0004857	GLRA1	P48167	GLRB_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000414	GLRA3	O75311	GLRA3_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0005802	GPR55	Q9Y2T6	GPR55_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0002341	CHRNA7	P36544	ACHA7_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000215	PPARG	P37231	PPARG_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN		26264914; 11606325; 25029033	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Bisogno T, Hanus L, De Petrocellis L, Tchilibon S, Ponde DE, Brandi I, Moriello AS, Davis JB, Mechoulam R, Di Marzo V: Molecular targets for cannabidiol and its synthetic analogues: effect on vanilloid VR1 receptors and on the cellular uptake and enzymatic hydrolysis of anandamide. Br J Pharmacol. 2001 Oct;134(4):845-52. doi: 10.1038/sj.bjp.0704327.@@Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000483	CACNA1G	O43497	CAC1G_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000012	CACNA1I	Q9P0X4	CAC1I_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0001122	TRPA1	O75762	TRPA1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0003416	TRPV3	Q8NET8	TRPV3_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0009159	TRPV4	Q9HBA0	TRPV4_HUMAN				Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0002468	VDAC1	P21796	VDAC1_HUMAN		26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000069	ACAT1	P24752	THIL_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000574	HMGCR	P04035	HMDH_HUMAN	stimulator	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0000648	GSR	P00390	GSHR_HUMAN	stimulator	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0001111	CYP1B1	Q16678	CP1B1_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0003612	CYP3A7	P24462	CP3A7_HUMAN	inhibitor	26264914; 24160757	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3.@@Stout SM, Cimino NM: Exogenous cannabinoids as substrates, inhibitors, and inducers of human drug metabolizing enzymes: a systematic review. Drug Metab Rev. 2014 Feb;46(1):86-95. doi: 10.3109/03602532.2013.849268. Epub 2013 Oct 25."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0002194	FAAH	O00519	FAAH1_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0002390	SOD1	P00441	SODC_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14011	Nabiximols	BE0009156	NAAA	Q02083	NAAA_HUMAN	inhibitor	26264914	"Ibeas Bih C, Chen T, Nunn AV, Bazelot M, Dallas M, Whalley BJ: Molecular Targets of Cannabidiol in Neurological Disorders. Neurotherapeutics. 2015 Oct;12(4):699-730. doi: 10.1007/s13311-015-0377-3."	Investigational			Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); Sensory System Agents; Cytochrome P-450 CYP3A Substrates; Cannabinoids and similars; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; Terpenes; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cannabinoid Receptor Agonists; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Analgesics; Cytochrome P-450 CYP3A7 Inhibitors; Pharmaceutical Preparations; Central Nervous System Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C							D09317				Nabiximols	CHEMBL3833333	
DB14019	Fosnetupitant	BE0000384	TACR1	P25103	NK1R_HUMAN	antagonist	27713845	Coyne JW: The First Oral Fixed-Dose Combination of Netupitant and Palonosetron for the Treatment of Chemotherapy-Induced Nausea and Vomiting. J Adv Pract Oncol. 2016 Jan-Feb;7(1):66-70. Epub 2016 Jan 1.	Approved			Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inhibitors; Substance P/Neurokinin-1 Receptor Antagonist; Cytochrome P-450 CYP3A4 Substrates; Netupitant and prodrug; Cytochrome P-450 CYP3A4 Inhibitors	CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1											Netupitant/palonosetron	CHEMBL3989917	2044417
DB14028	Nordazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Psycholeptics; Amino Acids; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Amino Acids, Cyclic; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1							D08283				Nordazepam	CHEMBL523	3155
DB14028	Nordazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic; GABA Agents; Benzodiazepinones; Central Nervous System Depressants; Psycholeptics; Amino Acids; Heterocyclic Compounds, Fused-Ring; GABA Modulators; Benzazepines; Anti-Anxiety Agents; Psychotropic Drugs; Amino Acids, Cyclic; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Agents; Tranquilizing Agents; Neurotransmitter Agents; Nervous System"	ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1							D08283				Nordazepam	CHEMBL523	3155
DB14034	Darglitazone	BE0000215	PPARG	P37231	PPARG_HUMAN	agonist	1588563	"Hulin B, Clark DA, Goldstein SW, McDermott RE, Dambek PJ, Kappeler WH, Lamphere CH, Lewis DM, Rizzi JP: Novel thiazolidine-2,4-diones as potent euglycemic agents. J Med Chem. 1992 May 15;35(10):1853-64."	Experimental			Sulfur Compounds; Thiazoles	CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1											Darglitazone	CHEMBL55624	
DB14039	Erenumab	BE0009009	CALCRL	Q16602	CALRL_HUMAN				Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Sensory System Agents; Immunoglobulins; Serum Globulins; Calcitonin Gene-Related Peptide Receptor Antagonists; Central Nervous System Agents; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Immunoproteins; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Peripheral Nervous System Agents; Analgesics"						22969		D10928				Erenumab		2045613
DB14040	Eptinezumab	BE0002370	CALCB	P10092	CALCB_HUMAN	binder	25297013	"Dodick DW, Goadsby PJ, Silberstein SD, Lipton RB, Olesen J, Ashina M, Wilks K, Kudrow D, Kroll R, Kohrman B, Bargar R, Hirman J, Smith J: Safety and efficacy of ALD403, an antibody to calcitonin gene-related peptide, for the prevention of frequent episodic migraine: a randomised, double-blind, placebo-controlled, exploratory phase 2 trial. Lancet Neurol. 2014 Nov;13(11):1100-1107. doi: 10.1016/S1474-4422(14)70209-1. Epub 2014 Oct 5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Calcitonin Gene-related Peptide Antagonist; Antibodies, Monoclonal, Humanized; Immunoproteins; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Analgesics"						23551						Eptinezumab		2282660
DB14041	Fremanezumab	BE0002370	CALCB	P10092	CALCB_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Calcitonin Gene-Related Peptide Receptor Antagonists; Amino Acids, Peptides, and Proteins; Antimigraine Preparations; Immunoproteins; Antibodies, Monoclonal, Humanized; Nervous System; Proteins; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Blood Proteins; Analgesics"						23442						Fremanezumab		2056691
DB14042	Galcanezumab	BE0002370	CALCB	P10092	CALCB_HUMAN	antibody	29089894	"Monteith D, Collins EC, Vandermeulen C, Van Hecken A, Raddad E, Scherer JC, Grayzel D, Schuetz TJ, de Hoon J: Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the CGRP Binding Monoclonal Antibody LY2951742 (Galcanezumab) in Healthy Volunteers. Front Pharmacol. 2017 Oct 17;8:740. doi: 10.3389/fphar.2017.00740. eCollection 2017."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Sensory System Agents; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Proteins; Immunoglobulins; Peripheral Nervous System Agents; Analgesics; Calcitonin Gene-Related Peptide Receptor Antagonists; Central Nervous System Agents; Antimigraine Preparations; Nervous System; Blood Proteins"						23343						Galcanezumab		2058846
DB14050	Cannabidivarin	BE0001023	TRPV1	Q8NER1	TRPV1_HUMAN	agonist	22970845; 25029033; 29290836; 29842819; 21175579	"Hill AJ, Mercier MS, Hill TD, Glyn SE, Jones NA, Yamasaki Y, Futamura T, Duncan M, Stott CG, Stephens GJ, Williams CM, Whalley BJ: Cannabidivarin is anticonvulsant in mouse and rat. Br J Pharmacol. 2012 Dec;167(8):1629-42. doi: 10.1111/j.1476-5381.2012.02207.x.@@Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29.@@Capasso A: Do Cannabinoids Confer Neuroprotection Against Epilepsy? An Overview. Open Neurol J. 2017 Dec 18;11:61-73. doi: 10.2174/1874205X01711010061. eCollection 2017.@@Ruzic Zecevic D, Folic M, Tantoush Z, Radovanovic M, Babic G, Jankovic SM: Investigational cannabinoids in seizure disorders, what have we learned thus far? Expert Opin Investig Drugs. 2018 Jun 6:1-7. doi: 10.1080/13543784.2018.1482275.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x."	Investigational			Central Nervous System Depressants; Anticonvulsants; Terpenes	[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C											Cannabidivarin	CHEMBL2387742	
DB14050	Cannabidivarin	BE0001122	TRPA1	O75762	TRPA1_HUMAN	agonist	25029033; 21175579	"Iannotti FA, Hill CL, Leo A, Alhusaini A, Soubrane C, Mazzarella E, Russo E, Whalley BJ, Di Marzo V, Stephens GJ: Nonpsychotropic plant cannabinoids, cannabidivarin (CBDV) and cannabidiol (CBD), activate and desensitize transient receptor potential vanilloid 1 (TRPV1) channels in vitro: potential for the treatment of neuronal hyperexcitability. ACS Chem Neurosci. 2014 Nov 19;5(11):1131-41. doi: 10.1021/cn5000524. Epub 2014 Jul 29.@@De Petrocellis L, Ligresti A, Moriello AS, Allara M, Bisogno T, Petrosino S, Stott CG, Di Marzo V: Effects of cannabinoids and cannabinoid-enriched Cannabis extracts on TRP channels and endocannabinoid metabolic enzymes. Br J Pharmacol. 2011 Aug;163(7):1479-94. doi: 10.1111/j.1476-5381.2010.01166.x."	Investigational			Central Nervous System Depressants; Anticonvulsants; Terpenes	[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C											Cannabidivarin	CHEMBL2387742	
DB14061	Hycanthone	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	21235729; 29145976	"Palmeira A, Rodrigues F, Sousa E, Pinto M, Vasconcelos MH, Fernandes MX: New uses for old drugs: pharmacophore-based screening for the discovery of P-glycoprotein inhibitors. Chem Biol Drug Des. 2011 Jul;78(1):57-72. doi: 10.1111/j.1747-0285.2011.01089.x. Epub 2011 Mar 29.@@Genovese I, Ilari A, Assaraf YG, Fazi F, Colotti G: Not only P-glycoprotein: Amplification of the ABCB1-containing chromosome region 7q21 confers multidrug resistance upon cancer cells by coordinated overexpression of an assortment of resistance-related proteins. Drug Resist Updat. 2017 May;32:23-46. doi: 10.1016/j.drup.2017.10.003. Epub 2017 Oct 16."	Experimental			"Antiplatyhelmintic Agents; P-glycoprotein inhibitors; Anti-Infective Agents; Heterocyclic Compounds, Fused-Ring; Sulfur Compounds; Anthelmintics; Thioxanthenes; Schistosomicides; Antiparasitic Agents; Xanthenes"	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1							D00541				Hycanthone	CHEMBL22077	
DB14062	Concanamycin A	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	8549739; 7772017	"Senior AE, al-Shawi MK, Urbatsch IL: The catalytic cycle of P-glycoprotein. FEBS Lett. 1995 Dec 27;377(3):285-9. doi: 10.1016/0014-5793(95)01345-8.@@Sharom FJ, Yu X, Chu JW, Doige CA: Characterization of the ATPase activity of P-glycoprotein from multidrug-resistant Chinese hamster ovary cells. Biochem J. 1995 Jun 1;308 ( Pt 2):381-90."	Experimental	Macrolides and analogues	Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues	"P-glycoprotein inhibitors; Anti-Infective Agents; Enzyme Inhibitors; Lactones; Polyketides; Proton-Translocating ATPases, antagonists & inhibitors"	[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C												CHEMBL1241239	
DB14063	Dexverapamil	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	16842217; 8820952; 7636539	"Nobili S, Landini I, Giglioni B, Mini E: Pharmacological strategies for overcoming multidrug resistance. Curr Drug Targets. 2006 Jul;7(7):861-79.@@Bates SE, Wilson WH, Fojo AT, Alvarez M, Zhan Z, Regis J, Robey R, Hose C, Monks A, Kang YK, Chabner B: Clinical reversal of multidrug resistance. Stem Cells. 1996 Jan;14(1):56-63. doi: 10.1002/stem.140056.@@Wilson WH, Jamis-Dow C, Bryant G, Balis FM, Klecker RW, Bates SE, Chabner BA, Steinberg SM, Kohler DR, Wittes RE: Phase I and pharmacokinetic study of the multidrug resistance modulator dexverapamil with EPOCH chemotherapy. J Clin Oncol. 1995 Aug;13(8):1985-94. doi: 10.1200/JCO.1995.13.8.1985."	Experimental			Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; QTc Prolonging Agents; Amines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Phenethylamines; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Ethylamines; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators	COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC												CHEMBL197	
DB14064	Emopamil	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	25685543; 29145976; 15047504	"Abdallah HM, Al-Abd AM, El-Dine RS, El-Halawany AM: P-glycoprotein inhibitors of natural origin as potential tumor chemo-sensitizers: A review. J Adv Res. 2015 Jan;6(1):45-62. doi: 10.1016/j.jare.2014.11.008. Epub 2014 Dec 1.@@Genovese I, Ilari A, Assaraf YG, Fazi F, Colotti G: Not only P-glycoprotein: Amplification of the ABCB1-containing chromosome region 7q21 confers multidrug resistance upon cancer cells by coordinated overexpression of an assortment of resistance-related proteins. Drug Resist Updat. 2017 May;32:23-46. doi: 10.1016/j.drup.2017.10.003. Epub 2017 Oct 16.@@Sankatsing SU, Beijnen JH, Schinkel AH, Lange JM, Prins JM: P glycoprotein in human immunodeficiency virus type 1 infection and therapy. Antimicrob Agents Chemother. 2004 Apr;48(4):1073-81."	Experimental			Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; Amines; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Phenethylamines; Bradycardia-Causing Agents; Ethylamines; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators	CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1											Emopamil	CHEMBL173809	
DB14065	Lomerizine	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	16539840; 11379779	"Ji BS, He L, Li XQ, Liu GQ: CJZ3, a lomerizine derivative, modulates P-glycoprotein function in rat brain microvessel endothelial cells. Acta Pharmacol Sin. 2006 Apr;27(4):414-8. doi: 10.1111/j.1745-7254.2006.00294.x.@@Shiraki N, Hamada A, Ohmura T, Tokunaga J, Oyama N, Nakano M: Increase in doxorubicin cytotoxicity by inhibition of P-glycoprotein activity with lomerizine. Biol Pharm Bull. 2001 May;24(5):555-7."	Experimental			Antiarrhythmic agents; P-glycoprotein inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators	COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC											Lomerizine	CHEMBL29188	
DB14066	Tetrandrine	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	14666379; 28260091; 25233150	"Fu L, Liang Y, Deng L, Ding Y, Chen L, Ye Y, Yang X, Pan Q: Characterization of tetrandrine, a potent inhibitor of P-glycoprotein-mediated multidrug resistance. Cancer Chemother Pharmacol. 2004 Apr;53(4):349-56. doi: 10.1007/s00280-003-0742-5. Epub 2003 Dec 10.@@Lu Y, Li F, Xu T, Sun J: Tetrandrine prevents multidrug resistance in the osteosarcoma cell line, U-2OS, by preventing Pgp overexpression through the inhibition of NF-kappaB signaling. Int J Mol Med. 2017 Apr;39(4):993-1000. doi: 10.3892/ijmm.2017.2895. Epub 2017 Feb 17.@@Chen Y, Xiao X, Wang C, Jiang H, Hong Z, Xu G: Beneficial effect of tetrandrine on refractory epilepsy via suppressing P-glycoprotein. Int J Neurosci. 2015;125(9):703-10. doi: 10.3109/00207454.2014.966821. Epub 2014 Oct 22."	Experimental	"Lignans, neolignans and related compounds"	"Organic compounds; Lignans, neolignans and related compounds"	"Cytochrome P-450 CYP3A Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Immunologic Factors; Calcium Channel Blockers; Alkaloids; Antiprotozoals; Antimalarials; Membrane Transport Modulators; Drugs, Chinese Herbal; Antineoplastic Agents; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Calcium-Regulating Hormones and Agents; Antineoplastic Agents, Phytogenic; Isoquinolines; Cytochrome P-450 CYP3A4 Substrates; Antiparasitic Agents; Antiarrhythmic agents; Immunosuppressive Agents; Anti-Infective Agents; Plant Extracts; Bradycardia-Causing Agents"	COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4											Tetrandrine	CHEMBL176045	
DB14067	Dofequidar	BE0002369	ABCB5	Q2M3G0	ABCB5_HUMAN	inhibitor	26870817	"Katayama R, Sakashita T, Yanagitani N, Ninomiya H, Horiike A, Friboulet L, Gainor JF, Motoi N, Dobashi A, Sakata S, Tambo Y, Kitazono S, Sato S, Koike S, John Iafrate A, Mino-Kenudson M, Ishikawa Y, Shaw AT, Engelman JA, Takeuchi K, Nishio M, Fujita N: P-glycoprotein Mediates Ceritinib Resistance in Anaplastic Lymphoma Kinase-rearranged Non-small Cell Lung Cancer. EBioMedicine. 2015 Dec 12;3:54-66. doi: 10.1016/j.ebiom.2015.12.009. eCollection 2016 Jan."	Experimental; Investigational			"P-glycoprotein inhibitors; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring"	OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1												CHEMBL65067	
DB14067	Dofequidar	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	21039338; 27648351; 12938512	"Shukla S, Ohnuma S, Ambudkar SV: Improving cancer chemotherapy with modulators of ABC drug transporters. Curr Drug Targets. 2011 May;12(5):621-30.@@Chung FS, Santiago JS, Jesus MF, Trinidad CV, See MF: Disrupting P-glycoprotein function in clinical settings: what can we learn from the fundamental aspects of this transporter? Am J Cancer Res. 2016 Aug 1;6(8):1583-98. eCollection 2016.@@Chen Z, Takeshita A, Zou P, Liu Z, Kozaka M, You Y, Song S, Ohnishi K, Ohno R: Multidrug resistance P-glycoprotein function of bone marrow hematopoietic cells and the reversal agent effect. J Tongji Med Univ. 1999;19(4):260-3."	Experimental; Investigational			"P-glycoprotein inhibitors; Antineoplastic Agents; Heterocyclic Compounds, Fused-Ring"	OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1												CHEMBL65067	
DB14068	Dexniguldipine	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	7887974	"Hofmann J, Gekeler V, Ise W, Noller A, Mitterdorfer J, Hofer S, Utz I, Gotwald M, Boer R, Glossmann H, et al.: Mechanism of action of dexniguldipine-HCl (B8509-035), a new potent modulator of multidrug resistance. Biochem Pharmacol. 1995 Mar 1;49(5):603-9. doi: 10.1016/0006-2952(94)00479-6."	Experimental			Antiarrhythmic agents; P-glycoprotein inhibitors; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Antihypertensive Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Membrane Transport Modulators; Antineoplastic Agents; Pyridines	[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC												CHEMBL2051956	
DB14069	ONT-093	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	16012790; 10850444; 20216335	"Chi KN, Chia SK, Dixon R, Newman MJ, Wacher VJ, Sikic B, Gelmon KA: A phase I pharmacokinetic study of the P-glycoprotein inhibitor, ONT-093, in combination with paclitaxel in patients with advanced cancer. Invest New Drugs. 2005 Aug;23(4):311-5. doi: 10.1007/s10637-005-1439-x.@@Newman MJ, Rodarte JC, Benbatoul KD, Romano SJ, Zhang C, Krane S, Moran EJ, Uyeda RT, Dixon R, Guns ES, Mayer LD: Discovery and characterization of OC144-093, a novel inhibitor of P-glycoprotein-mediated multidrug resistance. Cancer Res. 2000 Jun 1;60(11):2964-72.@@Hodges LM, Markova SM, Chinn LW, Gow JM, Kroetz DL, Klein TE, Altman RB: Very important pharmacogene summary: ABCB1 (MDR1, P-glycoprotein). Pharmacogenet Genomics. 2011 Mar;21(3):152-61. doi: 10.1097/FPC.0b013e3283385a1c."	Investigational			"P-glycoprotein inhibitors; Drug Resistance, Multiple"	[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1												CHEMBL313113	
DB14070	HM-30181	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	24602137; 22284902; 25855895	"Kim TE, Lee H, Lim KS, Lee S, Yoon SH, Park KM, Han H, Shin SG, Jang IJ, Yu KS, Cho JY: Effects of HM30181, a P-glycoprotein inhibitor, on the pharmacokinetics and pharmacodynamics of loperamide in healthy volunteers. Br J Clin Pharmacol. 2014 Sep;78(3):556-64. doi: 10.1111/bcp.12368.@@Kim TE, Gu N, Yoon SH, Cho JY, Park KM, Shin SG, Jang IJ, Yu KS: Tolerability and pharmacokinetics of a new P-glycoprotein inhibitor, HM30181, in healthy Korean male volunteers: single- and multiple-dose randomized, placebo-controlled studies. Clin Ther. 2012 Feb;34(2):482-94. doi: 10.1016/j.clinthera.2012.01.003. Epub 2012 Jan 28.@@Kohler SC, Wiese M: HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2). J Med Chem. 2015 May 14;58(9):3910-21. doi: 10.1021/acs.jmedchem.5b00188. Epub 2015 Apr 24."	Experimental	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	"P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; ATP Binding Cassette Transporter, Subfamily B, Member 1, antagonists & inhibitors; Pyrans"	[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1													
DB14071	Desmethylsertraline	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	21718296; 18239278; 18636148	"O'Brien FE, Dinan TG, Griffin BT, Cryan JF: Interactions between antidepressants and P-glycoprotein at the blood-brain barrier: clinical significance of in vitro and in vivo findings. Br J Pharmacol. 2012 Jan;165(2):289-312. doi: 10.1111/j.1476-5381.2011.01557.x.@@Wang JS, Zhu HJ, Gibson BB, Markowitz JS, Donovan JL, DeVane CL: Sertraline and its metabolite desmethylsertraline, but not bupropion or its three major metabolites, have high affinity for P-glycoprotein. Biol Pharm Bull. 2008 Feb;31(2):231-4.@@Gil-Ad I, Zolokov A, Lomnitski L, Taler M, Bar M, Luria D, Ram E, Weizman A: Evaluation of the potential anti-cancer activity of the antidepressant sertraline in human colon cancer cell lines and in colorectal cancer-xenografted mice. Int J Oncol. 2008 Aug;33(2):277-86."	Experimental			P-glycoprotein inhibitors; Amines; Agents that reduce seizure threshold; Naphthalenes	[H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12											Desmethylsertraline	CHEMBL40733	
DB14072	Reversin 121	BE0001032	ABCB1	P08183	MDR1_HUMAN	inhibitor	19039261; 22235146; 27886555	"Hoffmann K, Bekeredjian R, Schmidt J, Buchler MW, Marten A: Effects of the high-affinity Peptide reversin 121 on multidrug resistance proteins in experimental pancreatic cancer. Tumour Biol. 2008;29(6):351-8. doi: 10.1159/000178142. Epub 2008 Nov 27.@@Verbrugge SE, Assaraf YG, Dijkmans BA, Scheffer GL, Al M, den Uyl D, Oerlemans R, Chan ET, Kirk CJ, Peters GJ, van der Heijden JW, de Gruijl TD, Scheper RJ, Jansen G: Inactivating PSMB5 mutations and P-glycoprotein (multidrug resistance-associated protein/ATP-binding cassette B1) mediate resistance to proteasome inhibitors: ex vivo efficacy of (immuno)proteasome inhibitors in mononuclear blood cells from patients with rheumatoid arthritis. J Pharmacol Exp Ther. 2012 Apr;341(1):174-82. doi: 10.1124/jpet.111.187542. Epub 2012 Jan 10.@@Sivak L, Subr V, Tomala J, Rihova B, Strohalm J, Etrych T, Kovar M: Overcoming multidrug resistance via simultaneous delivery of cytostatic drug and P-glycoprotein inhibitor to cancer cells by HPMA copolymer conjugate. Biomaterials. 2017 Jan;115:65-80. doi: 10.1016/j.biomaterials.2016.11.013. Epub 2016 Nov 12."	Experimental	Peptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"P-glycoprotein inhibitors; Peptides; Amino Acids, Peptides, and Proteins; Drug Resistance, Multiple"	CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C												CHEMBL221390	
DB14109	alpha-Arbutin	BE0000876	GAA	P10253	LYAG_HUMAN	substrate	32672281	"Wang M, Wang M, Zhang F, Su X: A ratiometric fluorescent biosensor for the sensitive determination of alpha-glucosidase activity and acarbose based on N-doped carbon dots. Analyst. 2020 Aug 24;145(17):5808-5815. doi: 10.1039/d0an01065k."	Approved; Experimental				OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O												CHEMBL226495	1363429
DB14123	Menthol	BE0001186	TRPM8	Q7Z2W7	TRPM8_HUMAN	agonist	34015169	"Liu J, Liu L, Zhao M, Ding N, Ge N, Daugherty SL, Beckel JM, Wang S, Zhang X: Activation of TRPM8 channel inhibits contraction of the isolated human ureter. Neurourol Urodyn. 2021 Aug;40(6):1450-1459. doi: 10.1002/nau.24689. Epub 2021 May 20."	Approved			Fatty Alcohols; Cycloparaffins; Hexanols; Antipruritics; Alcohols; Lipids; Dermatologicals; Cyclohexanols; Cyclohexanes; Cyclohexane Monoterpenes; Monoterpenes; Terpenes	CC(C)C1CCC(C)CC1O											Menthol	CHEMBL256087	1430390
DB14146	Loxicodegol	BE0000632	OPRK1	P41145	OPRK_HUMAN	agonist	28778859	"Miyazaki T, Choi IY, Rubas W, Anand NK, Ali C, Evans J, Gursahani H, Hennessy M, Kim G, McWeeney D, Pfeiffer J, Quach P, Gauvin D, Riley TA, Riggs JA, Gogas K, Zalevsky J, Doberstein SK: NKTR-181: A Novel Mu-Opioid Analgesic with Inherently Low Abuse Potential. J Pharmacol Exp Ther. 2017 Oct;363(1):104-113. doi: 10.1124/jpet.117.243030. Epub 2017 Aug 4."	Investigational			"Phenanthrenes; Heterocyclic Compounds, Fused-Ring; Alkaloids; Opiate Alkaloids"	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC													
DB14185	Aripiprazole lauroxil	BE0000756	DRD2	P14416	DRD2_HUMAN	partial agonist	16366516; 9083792; 16925992; 16981227; 17501690; 11752352	"Hirose T, Kikuchi T: Aripiprazole, a novel antipsychotic agent: dopamine D2 receptor partial agonist. J Med Invest. 2005 Nov;52 Suppl:284-90.@@Inoue A, Miki S, Seto M, Kikuchi T, Morita S, Ueda H, Misu Y, Nakata Y: Aripiprazole, a novel antipsychotic drug, inhibits quinpirole-evoked GTPase activity but does not up-regulate dopamine D2 receptor following repeated treatment in the rat striatum. Eur J Pharmacol. 1997 Feb 19;321(1):105-11.@@Wood MD, Scott C, Clarke K, Westaway J, Davies CH, Reavill C, Hill M, Rourke C, Newson M, Jones DN, Forbes IT, Gribble A: Aripiprazole and its human metabolite are partial agonists at the human dopamine D2 receptor, but the rodent metabolite displays antagonist properties. Eur J Pharmacol. 2006 Sep 28;546(1-3):88-94. Epub 2006 Jul 21.@@Kim E, Yu KS, Cho JY, Shin YW, Yoo SY, Kim YY, Jang IJ, Shin SG, Kwon JS: Effects of DRD2 and CYP2D6 genotypes on delta EEG power response to aripiprazole in healthy male volunteers: a preliminary study. Hum Psychopharmacol. 2006 Dec;21(8):519-28.@@Wood M, Reavill C: Aripiprazole acts as a selective dopamine D2 receptor partial agonist. Expert Opin Investig Drugs. 2007 Jun;16(6):771-5.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000659	HTR1D	P28221	5HT1D_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000476	HTR1E	P28566	5HT1E_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000581	DRD3	P35462	DRD3_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000533	HTR2C	P28335	5HT2C_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000650	HTR7	P34969	5HT7R_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000442	HRH1	P35367	HRH1_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000501	ADRA1A	P35348	ADA1A_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000575	ADRA1B	P35368	ADA1B_HUMAN	antagonist	17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000560	CHRM2	P08172	ACM2_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000045	CHRM3	P20309	ACM3_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14185	Aripiprazole lauroxil	BE0000247	CHRM5	P08912	ACM5_HUMAN		17848919	Nasrallah HA: Atypical antipsychotic-induced metabolic side effects: insights from receptor-binding profiles. Mol Psychiatry. 2008 Jan;13(1):27-35. Epub 2007 Sep 11.	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"Aripiprazole and prodrugs; Serotonin 5-HT2A Receptor Antagonists; QTc Prolonging Agents; Piperazines; Serotonin 5-HT2 Receptor Antagonists; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Adrenergic alpha-Antagonists; Quinolones; Quinolines; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Serotonin Receptor Antagonists; Antidepressive Agents; Antipsychotic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Histamine Antagonists; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Antipsychotic Agents (Second Generation [Atypical]); Adrenergic Antagonists; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Cytochrome P-450 CYP3A7 Substrates"	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12							D10364	PA166161216			Aripiprazole_lauroxil	CHEMBL2219425	
DB14481	Calcium phosphate dihydrate	BE0000509	CASR	P41180	CASR_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0005812	PDCD6	O75340	PDCD6_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0002145	SPARC	P09486	SPRC_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008694	FBN2	P35556	FBN2_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008695	CASQ2	O14958	CASQ2_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008696	PEF1	Q9UBV8	PEF1_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008702	FBN3	Q75N90	FBN3_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008703	GCA	P28676	GRAN_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008704	CADPS	Q9ULU8	CAPS1_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008706	CALM3	P0DP25	CALM3_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0005274	NRXN1	Q9ULB1	NRX1A_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14481	Calcium phosphate dihydrate	BE0004557	NCS1	P62166	NCS1_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14487	Zinc acetate	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005807	ENO1	P06733	ENOA_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000720	GAPDHS	O14556	G3PT_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0002467	P4HB	P07237	PDIA1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005844	PRDX1	Q06830	PRDX1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0004590	PSPH	P78330	SERB_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0004542	TUFM	P49411	EFTU_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000123	ESR1	P03372	ESR1_HUMAN		14640689	"Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0002365	HDAC1	Q13547	HDAC1_HUMAN		16439135	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0003523	HDAC4	P56524	HDAC4_HUMAN		16439135	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0002390	SOD1	P00441	SODC_HUMAN		16583143	"Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000433	GLRA1	P23415	GLRA1_HUMAN		16842826	"Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005835	UTRN	P46939	UTRO_HUMAN		17009962	"Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0008994	TP73	O15350	P73_HUMAN		17170001	"Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005812	PDCD6	O75340	PDCD6_HUMAN		18997320	"Suzuki H, Kawasaki M, Kakiuchi T, Shibata H, Wakatsuki S, Maki M: Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Nov 1;64(Pt 11):974-7. doi: 10.1107/S1744309108030297. Epub 2008 Oct 31."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009047	A1BG	P04217	A1BG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000910	A2M	P01023	A2MG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005852	APOBR	Q0VD83	APOBR_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0003455	C3	P01024	CO3_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000855	C5	P01031	CO5_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009053	CFH	P08603	CFAH_HUMAN		21396937	"Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011  Mar 17."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009054	CFI	P05156	CFAI_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0001140	CP	P00450	CERU_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0001180	FN1	P02751	FINC_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0004161	GSN	P06396	GELS_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009077	HRNR	Q86YZ3	HORN_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009060	ITIH2	P19823	ITIH2_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009081	ITIH3	Q06033	ITIH3_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009084	JUP	P14923	PLAK_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0002440	KLKB1	P03952	KLKB1_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009062	KRT10	P13645	K1C10_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009085	KRT14	P02533	K1C14_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009086	KRT16	P08779	K1C16_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009087	KRT5	P13647	K2C5_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0009064	KRT9	P35527	K1C9_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0005533	SEPP1	P49908	SEPP1_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000209	SERPINA6	P08185	CBG_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0000337	TTR	P02766	TTHY_HUMAN		23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0003392	APP	P05067	A4_HUMAN		24855651	"Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14487	Zinc acetate	BE0001717	PARP1	P09874	PARP1_HUMAN		25549802	"Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14488	Ferrous gluconate	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14488	Ferrous gluconate	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved			"Minerals; Polyvalent cation containing laxatives, antacids, oral supplements; Antianemia Drugs; Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Anemia, Iron-Deficiency; Iron Bivalent, Oral Preparations"	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O					246						Iron(II)_gluconate		
DB14489	Ferrous succinate	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14489	Ferrous succinate	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].[O-]C(=O)CCC([O-])=O											Iron_supplement		
DB14490	Ferrous ascorbate	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14490	Ferrous ascorbate	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved			"Antioxidants; Carbohydrates; Protective Agents; Urinary Acidifying Agents; Polyvalent cation containing laxatives, antacids, oral supplements; Hydroxy Acids; Biological Factors; Diet, Food, and Nutrition; Blood and Blood Forming Organs; Food; Acids, Acyclic; Micronutrients; Sugar Acids; Iron Bivalent, Oral Preparations; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Antianemic Preparations; Iron Preparations"	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]					309								
DB14491	Ferrous fumarate	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14491	Ferrous fumarate	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Minerals; Physiological Phenomena; Antianemic Preparations; Diet, Food, and Nutrition; Elements; Blood and Blood Forming Organs; Iron Compounds; Food; Micronutrients; Iron Preparations; Trace Elements; Iron Bivalent, Oral Preparations"	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O					309						Iron(II)_fumarate	CHEMBL1200640	
DB14498	Potassium acetate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		17334838; 17347782; 17366541; 17369284; 17444965	"Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51."	Approved; Investigational	Acetate salts	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives	"Potassium Salt; Blood Substitutes and Perfusion Solutions; Replacement Preparations; I.V. Solution Additives; Agents causing hyperkalemia; Blood and Blood Forming Organs; Acids, Acyclic; Drugs that are Mainly Renally Excreted; Electrolyte Solutions; Acetates; Potassium Compounds"	[K+].CC([O-])=O					1076						Potassium_acetate	CHEMBL1201058	
DB14499	Potassium sulfate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		17334838; 17347782; 17366541; 17369284; 17444965	"Silva E, Gomes P, Soares-da-Silva P: Overexpression of Na(+)/K (+)-ATPase parallels the increase in sodium transport and potassium recycling in an in vitro model of proximal tubule cellular ageing. J Membr Biol. 2006;212(3):163-75. Epub 2007 Feb 28.@@Li C, Geering K, Horisberger JD: The third sodium binding site of Na,K-ATPase is functionally linked to acidic pH-activated inward current. J Membr Biol. 2006;213(1):1-9. Epub 2007 Mar 8.@@Stanely Mainzen Prince P, Karthick M: Preventive effect of rutin on lipids, lipoproteins, and ATPases in normal and isoproterenol-induced myocardial infarction in rats. J Biochem Mol Toxicol. 2007;21(1):1-6.@@Simon WA, Herrmann M, Klein T, Shin JM, Huber R, Senn-Bilfinger J, Postius S: Soraprazan: setting new standards in inhibition of gastric acid secretion. J Pharmacol Exp Ther. 2007 Jun;321(3):866-74. Epub 2007 Mar 16.@@Iannello S, Milazzo P, Belfiore F: Animal and human tissue Na,K-ATPase in normal and insulin-resistant states: regulation, behaviour and interpretative hypothesis on NEFA effects. Obes Rev. 2007 May;8(3):231-51."	Approved; Investigational	Alkali metal sulfates	Inorganic compounds; Mixed metal/non-metal compounds; Alkali metal oxoanionic compounds; Alkali metal sulfates	Potassium Salt; Anions; Ions; Osmotic Laxatives; Laxatives; Sulfur Compounds; Drugs that are Mainly Renally Excreted; Sulfur Acids; Sulfuric Acids; Electrolytes	[K+].[K+].[O-]S([O-])(=O)=O					6485						Potassium_sulfate	CHEMBL2021424	
DB14500	Potassium	BE0000732	ATP1A1	P05023	AT1A1_HUMAN	regulator	27455317; 29540487; 23674806; 26854277	"Stone MS, Martyn L, Weaver CM: Potassium Intake, Bioavailability, Hypertension, and Glucose Control. Nutrients. 2016 Jul 22;8(7). pii: nu8070444. doi: 10.3390/nu8070444.@@Kardalas E, Paschou SA, Anagnostis P, Muscogiuri G, Siasos G, Vryonidou A: Hypokalemia: a clinical update. Endocr Connect. 2018 Apr;7(4):R135-R146. doi: 10.1530/EC-18-0109. Epub 2018 Mar 14.@@Weaver CM: Potassium and health. Adv Nutr. 2013 May 1;4(3):368S-77S. doi: 10.3945/an.112.003533.@@Hinderling PH: The Pharmacokinetics of Potassium in Humans Is Unusual. J Clin Pharmacol. 2016 Oct;56(10):1212-20. doi: 10.1002/jcph.713. Epub 2016 Mar 8."	Approved; Experimental			"Minerals; Potassium Salt; High-Ceiling Diuretics; Metals, Alkali; Metals; Replacement Preparations; Agents causing hyperkalemia; Elements; Diuretics; Low-Ceiling Diuretics, Excl. Thiazides; Metals, Light"	[KH]					6485						Potassium		8588
DB14501	Ferrous glycine sulfate	BE0008725	TFRC	P02786	TFR1_HUMAN		16564538	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0002217	EGLN1	Q9GZT9	EGLN1_HUMAN		16649251	"Davidson TL, Chen H, Di Toro DM, D'Angelo G, Costa M: Soluble nickel inhibits HIF-prolyl-hydroxylases creating persistent hypoxic signaling in A549 cells. Mol Carcinog. 2006 Jul;45(7):479-89."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN		16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0008991	FXN	Q16595	FRDA_HUMAN		16911956	"Bencze KZ, Kondapalli KC, Cook JD, McMahon S, Millan-Pacheco C, Pastor N, Stemmler TL: The structure and function of frataxin. Crit Rev Biochem Mol Biol. 2006 Sep-Oct;41(5):269-91."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0005817	NEIL2	Q969S2	NEIL2_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0000113	POLB	P06746	DPOLB_HUMAN		20622253	"Hegde ML, Hegde PM, Holthauzen LM, Hazra TK, Rao KS, Mitra S: Specific Inhibition of NEIL-initiated repair of oxidized base damage in human genome by copper and iron: potential etiological linkage to neurodegenerative diseases. J Biol Chem. 2010 Sep 10;285(37):28812-25. doi: 10.1074/jbc.M110.126664. Epub 2010 Jul 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14501	Ferrous glycine sulfate	BE0001140	CP	P00450	CERU_HUMAN		21049900	"Ha-Duong NT, Eid C, Hemadi M, El Hage Chahine JM: In vitro interaction between ceruloplasmin and human serum transferrin. Biochemistry. 2010 Dec 7;49(48):10261-3. doi: 10.1021/bi1014503. Epub 2010 Nov 9."	Approved			"Antianemic Preparations; Blood and Blood Forming Organs; Iron Preparations; Iron Bivalent, Oral Preparations"	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O												CHEMBL3707208	
DB14507	Lithium citrate	BE0000983	IMPA2	O14732	IMPA2_HUMAN		16841073; 17068342; 17251911	"Cryns K, Shamir A, Shapiro J, Daneels G, Goris I, Van Craenendonck H, Straetemans R, Belmaker RH, Agam G, Moechars D, Steckler T: Lack of lithium-like behavioral and molecular effects in IMPA2 knockout mice. Neuropsychopharmacology. 2007 Apr;32(4):881-91. Epub 2006 Jul 12.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24."	Approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators"	[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					1399						Lithium_citrate	CHEMBL1201170	
DB14507	Lithium citrate	BE0001152	IMPA1	P29218	IMPA1_HUMAN		16874097; 16965760; 17068342; 17158747; 17251911; 20027624	"Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315."	Approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators"	[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					1399						Lithium_citrate	CHEMBL1201170	
DB14507	Lithium citrate	BE0001065	GSK3B	P49841	GSK3B_HUMAN		16733521; 17628506; 19754466	"Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133."	Approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators"	[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					1399						Lithium_citrate	CHEMBL1201170	
DB14507	Lithium citrate	BE0000831	GRIA3	P42263	GRIA3_HUMAN		10626836	"Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6."	Approved	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Antimanic Agents; Psychotropic Drugs; QTc Prolonging Agents; Serotonin Agents; Central Nervous System Depressants; Tricarboxylic Acids; Nephrotoxic agents; Acids, Acyclic; Lithium Compounds; Narrow Therapeutic Index Drugs; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Mood Stabilizer; Antidepressive Agents; Neurotoxic agents; Serotonin Modulators"	[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					1399						Lithium_citrate	CHEMBL1201170	
DB14508	Lithium succinate	BE0000983	IMPA2	O14732	IMPA2_HUMAN		16841073; 17068342; 17251911	"Cryns K, Shamir A, Shapiro J, Daneels G, Goris I, Van Craenendonck H, Straetemans R, Belmaker RH, Agam G, Moechars D, Steckler T: Lack of lithium-like behavioral and molecular effects in IMPA2 knockout mice. Neuropsychopharmacology. 2007 Apr;32(4):881-91. Epub 2006 Jul 12.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals"	[Li+].[Li+].[O-]C(=O)CCC([O-])=O											Lithium_succinate	CHEMBL3707288	
DB14508	Lithium succinate	BE0001152	IMPA1	P29218	IMPA1_HUMAN		16874097; 16965760; 17068342; 17158747; 17251911; 20027624	"Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals"	[Li+].[Li+].[O-]C(=O)CCC([O-])=O											Lithium_succinate	CHEMBL3707288	
DB14508	Lithium succinate	BE0001065	GSK3B	P49841	GSK3B_HUMAN		16733521; 17628506; 19754466	"Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals"	[Li+].[Li+].[O-]C(=O)CCC([O-])=O											Lithium_succinate	CHEMBL3707288	
DB14508	Lithium succinate	BE0000831	GRIA3	P42263	GRIA3_HUMAN		10626836	"Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6."	Experimental	Dicarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives	"Dicarboxylic Acids; Ointments; Lithium Compounds; Acids, Acyclic; Dermatologicals"	[Li+].[Li+].[O-]C(=O)CCC([O-])=O											Lithium_succinate	CHEMBL3707288	
DB14509	Lithium carbonate	BE0000983	IMPA2	O14732	IMPA2_HUMAN		16841073; 17068342; 17251911	"Cryns K, Shamir A, Shapiro J, Daneels G, Goris I, Van Craenendonck H, Straetemans R, Belmaker RH, Agam G, Moechars D, Steckler T: Lack of lithium-like behavioral and molecular effects in IMPA2 knockout mice. Neuropsychopharmacology. 2007 Apr;32(4):881-91. Epub 2006 Jul 12.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24."	Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic"	[Li+].[Li+].[O-]C([O-])=O					10227						Lithium_carbonate	CHEMBL1200826	
DB14509	Lithium carbonate	BE0001152	IMPA1	P29218	IMPA1_HUMAN		16874097; 16965760; 17068342; 17158747; 17251911; 20027624	"Sarkar S, Rubinsztein DC: Inositol and IP3 levels regulate autophagy: biology and therapeutic speculations. Autophagy. 2006 Apr-Jun;2(2):132-4. Epub 2006 Apr 6.@@Trinquet E, Fink M, Bazin H, Grillet F, Maurin F, Bourrier E, Ansanay H, Leroy C, Michaud A, Durroux T, Maurel D, Malhaire F, Goudet C, Pin JP, Naval M, Hernout O, Chretien F, Chapleur Y, Mathis G: D-myo-inositol 1-phosphate as a surrogate of D-myo-inositol 1,4,5-tris phosphate to monitor G protein-coupled receptor activation. Anal Biochem. 2006 Nov 1;358(1):126-35. Epub 2006 Aug 30.@@Ohnishi T, Ohba H, Seo KC, Im J, Sato Y, Iwayama Y, Furuichi T, Chung SK, Yoshikawa T: Spatial expression patterns and biochemical properties distinguish a second myo-inositol monophosphatase IMPA2 from IMPA1. J Biol Chem. 2007 Jan 5;282(1):637-46. Epub 2006 Oct 26.@@Tanizawa Y, Kuhara A, Inada H, Kodama E, Mizuno T, Mori I: Inositol monophosphatase regulates localization of synaptic components and behavior in the mature nervous system of C. elegans. Genes Dev. 2006 Dec 1;20(23):3296-310.@@Ohnishi T, Yamada K, Ohba H, Iwayama Y, Toyota T, Hattori E, Inada T, Kunugi H, Tatsumi M, Ozaki N, Iwata N, Sakamoto K, Iijima Y, Iwata Y, Tsuchiya KJ, Sugihara G, Nanko S, Osumi N, Detera-Wadleigh SD, Kato T, Yoshikawa T: A promoter haplotype of the inositol monophosphatase 2 gene (IMPA2) at 18p11.2 confers a possible risk for bipolar disorder by enhancing transcription. Neuropsychopharmacology. 2007 Aug;32(8):1727-37. Epub 2007 Jan 24.@@Li Z, Stieglitz KA, Shrout AL, Wei Y, Weis RM, Stec B, Roberts MF: Mobile loop mutations in an archaeal inositol monophosphatase: modulating three-metal ion assisted catalysis and lithium inhibition. Protein Sci. 2010 Feb;19(2):309-18. doi: 10.1002/pro.315."	Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic"	[Li+].[Li+].[O-]C([O-])=O					10227						Lithium_carbonate	CHEMBL1200826	
DB14509	Lithium carbonate	BE0001065	GSK3B	P49841	GSK3B_HUMAN		16733521; 17628506; 19754466	"Borsotto M, Cavarec L, Bouillot M, Romey G, Macciardi F, Delaye A, Nasroune M, Bastucci M, Sambucy JL, Luan JJ, Charpagne A, Jouet V, Leger R, Lazdunski M, Cohen D, Chumakov I: PP2A-Bgamma subunit and KCNQ2 K+ channels in bipolar disorder. Pharmacogenomics J. 2007 Apr;7(2):123-32. Epub 2006 May 30.@@Adli M, Hollinde DL, Stamm T, Wiethoff K, Tsahuridu M, Kirchheiner J, Heinz A, Bauer M: Response to lithium augmentation in depression is associated with the glycogen synthase kinase 3-beta -50T/C single nucleotide polymorphism. Biol Psychiatry. 2007 Dec 1;62(11):1295-302. Epub 2007 Jul 12.@@O'Brien WT, Klein PS: Validating GSK3 as an in vivo target of lithium action. Biochem Soc Trans. 2009 Oct;37(Pt 5):1133-8. doi: 10.1042/BST0371133."	Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic"	[Li+].[Li+].[O-]C([O-])=O					10227						Lithium_carbonate	CHEMBL1200826	
DB14509	Lithium carbonate	BE0000831	GRIA3	P42263	GRIA3_HUMAN		10626836	"Karkanias NB, Papke RL: Lithium modulates desensitization of the glutamate receptor subtype gluR3 in Xenopus oocytes. Neurosci Lett. 1999 Dec 31;277(3):153-6."	Approved	Organic carbonic acids	Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Organic carbonic acids	"QTc Prolonging Agents; Enzyme Inhibitors; Acids; Nephrotoxic agents; Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome; Antidepressive Agents; Electrolytes; Carbon Compounds, Inorganic; Central Nervous System Depressants; Drugs that are Mainly Renally Excreted; Drugs that are Mainly Renally Excreted with a Narrow Therapeutic Index; Psycholeptics; Serotonin Modulators; Anions; Antimanic Agents; Ions; Carbonates; Mood Stabilizer; Neurotoxic agents; Serotonin Agents; Psychotropic Drugs; Central Nervous System Agents; Tranquilizing Agents; Nervous System; Lithium Compounds; Narrow Therapeutic Index Drugs; Alkalies; Carbonic Acid; Acids, Noncarboxylic"	[Li+].[Li+].[O-]C([O-])=O					10227						Lithium_carbonate	CHEMBL1200826	
DB14512	Mometasone furoate	BE0000794	NR3C1	P04150	GCR_HUMAN		8439518; 10518812; 9793625; 12127907; 11752352	"Isogai M, Shimizu H, Esumi Y, Terasawa T, Okada T, Sugeno K: Binding affinities of mometasone furoate and related compounds including its metabolites for the glucocorticoid receptor of rat skin tissue. J Steroid Biochem Mol Biol. 1993 Feb;44(2):141-5.@@Lumry WR: A review of the preclinical and clinical data of newer intranasal steroids used in the treatment of allergic rhinitis. J Allergy Clin Immunol. 1999 Oct;104(4 Pt 1):S150-8.@@Smith CL, Kreutner W: In vitro glucocorticoid receptor binding and transcriptional activation by topically active glucocorticoids. Arzneimittelforschung. 1998 Sep;48(9):956-60.@@Zhang X, Moilanen E, Adcock IM, Lindsay MA, Kankaanranta H: Divergent effect of mometasone on human eosinophil and neutrophil apoptosis. Life Sci. 2002 Aug 16;71(13):1523-34.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Adrenergics, Inhalants; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7504		D00690				Mometasone	CHEMBL1161	
DB14512	Mometasone furoate	BE0000557	PGR	P06401	PRGR_HUMAN		15189034	"Madauss KP, Deng SJ, Austin RJ, Lambert MH, McLay I, Pritchard J, Short SA, Stewart EL, Uings IJ, Williams SP: Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes. J Med Chem. 2004 Jun 17;47(13):3381-7."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Anti-Allergic Agents; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Hyperglycemia-Associated Agents; Dermatologicals; Thyroxine-binding globulin inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Drugs for Obstructive Airway Diseases; Steroids; Nasal Preparations; Fused-Ring Compounds; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Adrenergics, Inhalants; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7504		D00690				Mometasone	CHEMBL1161	
DB14514	Magnesium levulinate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		16808357; 16928192; 16990961; 17294093	"Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202."	Nutraceutical	Gamma-keto acids and derivatives	Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives	Enzyme Inhibitors; Metal divalent cations; Keto Acids; Magnesium Compounds; Mineral Supplements; Metal cations; Alimentary Tract and Metabolism	[Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O											Magnesium_levulinate	CHEMBL3707302	
DB14515	Magnesium lactate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		16808357; 16928192; 16990961; 17294093	"Buchachenko AL, Kuznetsov DA, Berdinskii VL: [New mechanisms of biological effects of electromagnetic fields]. Biofizika. 2006 May-Jun;51(3):545-52.@@Sirijovski N, Olsson U, Lundqvist J, Al-Karadaghi S, Willows RD, Hansson M: ATPase activity associated with the magnesium chelatase H-subunit of the chlorophyll biosynthetic pathway is an artefact. Biochem J. 2006 Dec 15;400(3):477-84.@@Balasubramaniyan V, Nalini N: Leptin alters brain adenosine triphosphatase activity in ethanol-mediated neurotoxicity in mice. Singapore Med J. 2006 Oct;47(10):864-8.@@Nogovitsina OR, Levitina EV: Neurological aspects of the clinical features, pathophysiology, and corrections of impairments in attention deficit hyperactivity disorder. Neurosci Behav Physiol. 2007 Mar;37(3):199-202."	Nutraceutical			Mineral Supplements; Metal divalent cations; Magnesium Compounds; Metal cations; Alimentary Tract and Metabolism	[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O					6487						Magnesium_lactate	CHEMBL3707281	
DB14517	Aluminium phosphate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		11509182; 14507470; 15111247; 15254985; 15651920; 11752352	"Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Post-transition metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal phosphates	"Acids; Adjuvants, Immunologic; Drugs for Acid Related Disorders; Metal cations; Gastrointestinal Agents; Phosphorus Acids; Electrolytes; Aluminium Compounds; Phosphorus Compounds; Aluminum and magnesium containing antacids; Immunologic Factors; Phosphoric Acids; Alimentary Tract and Metabolism; Anions; Ions; Gastric Acid Lowering Agents; Metal divalent cations; Antacids; Acids, Noncarboxylic"	[Al+3].[O-]P([O-])([O-])=O											Aluminium_phosphate	CHEMBL3833315	
DB14517	Aluminium phosphate	BE0001091	KLK1	P06870	KLK1_HUMAN		15558947	"De Sousa MO, Santoro MM, De Souza Figueiredo AF: The effect of cations on the amidase activity of human tissue kallikrein: 1-linear competitive inhibition by sodium, potassium, calcium and magnesium. 2-linear mixed inhibition by aluminium. J Enzyme Inhib Med Chem. 2004 Aug;19(4):317-25."	Approved; Investigational	Post-transition metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal phosphates	"Acids; Adjuvants, Immunologic; Drugs for Acid Related Disorders; Metal cations; Gastrointestinal Agents; Phosphorus Acids; Electrolytes; Aluminium Compounds; Phosphorus Compounds; Aluminum and magnesium containing antacids; Immunologic Factors; Phosphoric Acids; Alimentary Tract and Metabolism; Anions; Ions; Gastric Acid Lowering Agents; Metal divalent cations; Antacids; Acids, Noncarboxylic"	[Al+3].[O-]P([O-])([O-])=O											Aluminium_phosphate	CHEMBL3833315	
DB14517	Aluminium phosphate	BE0003392	APP	P05067	A4_HUMAN		16942756	"Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30."	Approved; Investigational	Post-transition metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Post-transition metal oxoanionic compounds; Post-transition metal phosphates	"Acids; Adjuvants, Immunologic; Drugs for Acid Related Disorders; Metal cations; Gastrointestinal Agents; Phosphorus Acids; Electrolytes; Aluminium Compounds; Phosphorus Compounds; Aluminum and magnesium containing antacids; Immunologic Factors; Phosphoric Acids; Alimentary Tract and Metabolism; Anions; Ions; Gastric Acid Lowering Agents; Metal divalent cations; Antacids; Acids, Noncarboxylic"	[Al+3].[O-]P([O-])([O-])=O											Aluminium_phosphate	CHEMBL3833315	
DB14518	Aluminum acetate	BE0000732	ATP1A1	P05023	AT1A1_HUMAN		11509182; 14507470; 15111247; 15254985; 15651920; 11752352	"Menz RI, Walker JE, Leslie AG: Structure of bovine mitochondrial F(1)-ATPase with nucleotide bound to all three catalytic sites: implications for the mechanism of rotary catalysis. Cell. 2001 Aug 10;106(3):331-41.@@Silva VS, Goncalves PP: The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.@@Amador FC, Santos MS, Oliveira CR: Lipid peroxidation and aluminium effects on the cholinergic system in nerve terminals. Neurotox Res. 2001 Jul;3(3):223-33.@@Kohila T, Parkkonen E, Tahti H: Evaluation of the effects of aluminium, ethanol and their combination on rat brain synaptosomal integral proteins in vitro and after 90-day oral exposure. Arch Toxicol. 2004 May;78(5):276-82.@@Kohila T, Tahti H: Effects of aluminium and lead on ATPase activity of knockout +/- mouse cerebral synaptosomes in vitro. Altern Lab Anim. 2004 Oct;32(4):361-7.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"	[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O					10033						Aluminium_acetate	CHEMBL1201015	
DB14518	Aluminum acetate	BE0001091	KLK1	P06870	KLK1_HUMAN		15558947	"De Sousa MO, Santoro MM, De Souza Figueiredo AF: The effect of cations on the amidase activity of human tissue kallikrein: 1-linear competitive inhibition by sodium, potassium, calcium and magnesium. 2-linear mixed inhibition by aluminium. J Enzyme Inhib Med Chem. 2004 Aug;19(4):317-25."	Approved; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"	[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O					10033						Aluminium_acetate	CHEMBL1201015	
DB14518	Aluminum acetate	BE0003392	APP	P05067	A4_HUMAN		16942756	"Banks WA, Niehoff ML, Drago D, Zatta P: Aluminum complexing enhances amyloid beta protein penetration of blood-brain barrier. Brain Res. 2006 Oct 20;1116(1):215-21. Epub 2006 Aug 30."	Approved; Investigational	Carboxylic acids	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids	"Fatty Acids, Volatile; Lipids; Acids, Acyclic; Fatty Acids"	[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O					10033						Aluminium_acetate	CHEMBL1201015	
DB14520	Tetraferric tricitrate decahydrate	BE0008725	TFRC	P02786	TFR1_HUMAN	ligand	16564538; 24310424; 25053935	"Hemadi M, Ha-Duong NT, El Hage Chahine JM: The mechanism of iron release from the transferrin-receptor 1 adduct. J Mol Biol. 2006 May 12;358(4):1125-36. Epub 2006 Mar 13.@@Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012.@@Waldvogel-Abramowski S, Waeber G, Gassner C, Buser A, Frey BM, Favrat B, Tissot JD: Physiology of iron metabolism. Transfus Med Hemother. 2014 Jun;41(3):213-21. doi: 10.1159/000362888. Epub 2014 May 12."	Approved			"Organometallic Compounds; Drugs for Treatment of Hyperkalemia and Hyperphosphatemia; Iron Compounds; Phosphate Binder; Anemia, Iron-Deficiency"	O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O					309							CHEMBL3301597	
DB14526	Chromic citrate	BE0001173	CYB5A	P00167	CYB5_HUMAN		11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Experimental	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	Drugs that are Mainly Renally Excreted	[Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O													
DB14527	Chromic nitrate	BE0001173	CYB5A	P00167	CYB5_HUMAN		11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Approved	Transition metal nitrates	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal nitrates	Nitrogen Compounds; Anions; Ions; Drugs that are Mainly Renally Excreted; Electrolytes	[Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O											Chromium(III)_nitrate		
DB14528	Chromium gluconate	BE0001173	CYB5A	P00167	CYB5_HUMAN		11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Approved	Sugar acids and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates	Drugs that are Mainly Renally Excreted	[Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O													
DB14529	Chromium nicotinate	BE0001173	CYB5A	P00167	CYB5_HUMAN		11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Approved; Experimental	Pyridinecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives	Nicotinic Acids; Drugs that are Mainly Renally Excreted	[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1											Chromium(III)_nicotinate		
DB14530	Chromous sulfate	BE0001173	CYB5A	P00167	CYB5_HUMAN		11223168	"Jannetto PJ, Antholine WE, Myers CR: Cytochrome b(5) plays a key role in human microsomal chromium(VI) reduction. Toxicology. 2001 Feb 28;159(3):119-33."	Approved	Transition metal sulfates	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal oxoanionic compounds; Transition metal sulfates	Drugs that are Mainly Renally Excreted	[Cr++].[O-]S([O-])(=O)=O											Chromium(II)_sulfate		
DB14533	Zinc chloride	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0005807	ENO1	P06733	ENOA_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000720	GAPDHS	O14556	G3PT_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0002467	P4HB	P07237	PDIA1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0005844	PRDX1	Q06830	PRDX1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0004590	PSPH	P78330	SERB_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0004542	TUFM	P49411	EFTU_HUMAN	cofactor	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000123	ESR1	P03372	ESR1_HUMAN	binder	14640689	"Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	cofactor	16439135; 29616828	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0003523	HDAC4	P56524	HDAC4_HUMAN	cofactor	16439135; 29616828	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0002390	SOD1	P00441	SODC_HUMAN	cofactor	16583143	"Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN	cofactor	16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000433	GLRA1	P23415	GLRA1_HUMAN	inhibitor	16842826	"Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0005835	UTRN	P46939	UTRO_HUMAN	cofactor	17009962	"Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0008994	TP73	O15350	P73_HUMAN	chaperone	17170001	"Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000910	A2M	P01023	A2MG_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0005852	APOBR	Q0VD83	APOBR_HUMAN	inducer	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0003455	C3	P01024	CO3_HUMAN	inhibitor	23896426; 25393287	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Smailhodzic D, van Asten F, Blom AM, Mohlin FC, den Hollander AI, van de Ven JP, van Huet RA, Groenewoud JM, Tian Y, Berendschot TT, Lechanteur YT, Fauser S, de Bruijn C, Daha MR, van der Wilt GJ, Hoyng CB, Klevering BJ: Zinc supplementation inhibits complement activation in age-related macular degeneration. PLoS One. 2014 Nov 13;9(11):e112682. doi: 10.1371/journal.pone.0112682. eCollection 2014."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000855	C5	P01031	CO5_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009053	CFH	P08603	CFAH_HUMAN	ligand	21396937	"Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011  Mar 17."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0001140	CP	P00450	CERU_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0001180	FN1	P02751	FINC_HUMAN	modulator	23896426; 20541508	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Graille M, Pagano M, Rose T, Ravaux MR, van Tilbeurgh H: Zinc induces structural reorganization of gelatin binding domain from human fibronectin and affects collagen binding. Structure. 2010 Jun 9;18(6):710-8. doi: 10.1016/j.str.2010.03.012."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009060	ITIH2	P19823	ITIH2_HUMAN	binder	23896426; 6164311	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009081	ITIH3	Q06033	ITIH3_HUMAN	binder	23896426; 6164311	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	23896426; 20615447	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Goettig P, Magdolen V, Brandstetter H: Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs). Biochimie. 2010 Nov;92(11):1546-67. doi: 10.1016/j.biochi.2010.06.022. Epub 2010 Jul 6."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009064	KRT9	P35527	K1C9_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0005533	SEPP1	P49908	SEPP1_HUMAN	binder	23896426; 23652332	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Du X, Li H, Wang Z, Qiu S, Liu Q, Ni J: Selenoprotein P and selenoprotein M block Zn2+ -mediated Abeta42 aggregation and toxicity. Metallomics. 2013 Jun;5(7):861-70. doi: 10.1039/c3mt20282h."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000209	SERPINA6	P08185	CBG_HUMAN	modulator	23896426; 12943704	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Hammond GL, Avvakumov GV, Muller YA: Structure/function analyses of human sex hormone-binding globulin: effects of zinc on steroid-binding specificity. J Steroid Biochem Mol Biol. 2003 Jun;85(2-5):195-200. doi: 10.1016/s0960-0760(03)00195-x."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0000337	TTR	P02766	TTHY_HUMAN	inducer	23896426; 22120741	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Castro-Rodrigues AF, Gales L, Saraiva MJ, Damas AM: Structural insights into a zinc-dependent pathway leading to Leu55Pro transthyretin amyloid fibrils. Acta Crystallogr D Biol Crystallogr. 2011 Dec;67(Pt 12):1035-44. doi: 10.1107/S090744491104491X. Epub 2011 Nov 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0003392	APP	P05067	A4_HUMAN	ligand	24855651	"Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0001717	PARP1	P09874	PARP1_HUMAN	component of	25549802	"Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009908	APOB	P04114	APOB_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14533	Zinc chloride	BE0009910	HRG	P04196	HRG_HUMAN	cofactor	23896426; 17968515	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Tubek S, Grzanka P, Tubek I: Role of zinc in hemostasis: a review. Biol Trace Elem Res. 2008 Jan;121(1):1-8. doi: 10.1007/s12011-007-8038-y. Epub 2007 Oct 30."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14538	Hydrocortisone aceponate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Experimental; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D06876				Hydrocortisone_aceponate	CHEMBL2106309	
DB14538	Hydrocortisone aceponate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Experimental; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Corticosteroids, Potent (Group III); Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D06876				Hydrocortisone_aceponate	CHEMBL2106309	
DB14539	Hydrocortisone acetate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Aerosols; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7532		D00165				Hydrocortisone_acetate	CHEMBL1091	
DB14539	Hydrocortisone acetate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Aerosols; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7532		D00165				Hydrocortisone_acetate	CHEMBL1091	
DB14540	Hydrocortisone butyrate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Administration, Topical; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D01619				Hydrocortisone_butyrate	CHEMBL1683	
DB14540	Hydrocortisone butyrate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Administration, Topical; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D01619				Hydrocortisone_butyrate	CHEMBL1683	
DB14541	Hydrocortisone cypionate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D00976				Hydrocortisone_cypionate	CHEMBL1549	
DB14541	Hydrocortisone cypionate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D00976				Hydrocortisone_cypionate	CHEMBL1549	
DB14542	Hydrocortisone phosphate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C											Hydrocortisone_phosphate	CHEMBL1641	
DB14542	Hydrocortisone phosphate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Hydroxycorticosteroids; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C											Hydrocortisone_phosphate	CHEMBL1641	
DB14543	Hydrocortisone probutate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D01886				Hydrocortisone	CHEMBL1200953	
DB14543	Hydrocortisone probutate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Corticosteroids, Dermatological Preparations; Dermatologicals; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids, Moderately Potent (Group II); Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C							D01886				Hydrocortisone	CHEMBL1200953	
DB14544	Hydrocortisone valerate	BE0000422	ANXA1	P04083	ANXA1_HUMAN		17139284; 17016423; 11142771; 1712816; 8060156	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Sato-Matsumura KC, Matsumura T, Nakamura H, Sawa H, Nagashima K, Koizumi H: Membrane expression of annexin I is enhanced by calcium and TPA in cultured human keratinocytes. Arch Dermatol Res. 2000 Oct;292(10):496-9.@@White MV, Igarashi Y, Lundgren JD, Shelhamer J, Kaliner M: Hydrocortisone inhibits rat basophilic leukemia cell mediator release induced by neutrophil-derived histamine releasing activity as well as by anti-IgE. J Immunol. 1991 Jul 15;147(2):667-73.@@Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7509						Hydrocortisone_valerate	CHEMBL1200562	
DB14544	Hydrocortisone valerate	BE0000794	NR3C1	P04150	GCR_HUMAN		16891588; 16895953; 16980198; 17038445; 17086345	"Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Rautanen A, Eriksson JG, Kere J, Andersson S, Osmond C, Tienari P, Sairanen H, Barker DJ, Phillips DI, Forsen T, Kajantie E: Associations of body size at birth with late-life cortisol concentrations and glucose tolerance are modified by haplotypes of the glucocorticoid receptor gene. J Clin Endocrinol Metab. 2006 Nov;91(11):4544-51. Epub 2006 Aug 8.@@Hammer F, Stewart PM: Cortisol metabolism in hypertension. Best Pract Res Clin Endocrinol Metab. 2006 Sep;20(3):337-53.@@Shaw JR, Gabor K, Hand E, Lankowski A, Durant L, Thibodeau R, Stanton CR, Barnaby R, Coutermarsh B, Karlson KH, Sato JD, Hamilton JW, Stanton BA: Role of glucocorticoid receptor in acclimation of killifish (Fundulus heteroclitus) to seawater and effects of arsenic. Am J Physiol Regul Integr Comp Physiol. 2007 Feb;292(2):R1052-60. Epub 2006 Oct 12.@@Sher L: Combined dexamethasone suppression-corticotropin-releasing hormone stimulation test in studies of depression, alcoholism, and suicidal behavior. ScientificWorldJournal. 2006 Oct 31;6:1398-404."	Approved; Vet_approved	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	"Pregnenes; 17-Hydroxycorticosteroids; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Hydroxycorticosteroids; Cytochrome P-450 CYP3A4 Inducers; Steroids; 11-Hydroxycorticosteroids; Hormones; Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Hydrocortisone and derivatives; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Pregnenediones; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C					7509						Hydrocortisone_valerate	CHEMBL1200562	
DB14548	"Zinc sulfate, unspecified form"	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0005807	ENO1	P06733	ENOA_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000720	GAPDHS	O14556	G3PT_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0002467	P4HB	P07237	PDIA1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0005844	PRDX1	Q06830	PRDX1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0004590	PSPH	P78330	SERB_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0004542	TUFM	P49411	EFTU_HUMAN	cofactor	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000123	ESR1	P03372	ESR1_HUMAN	binder	14640689	"Payne JC, Rous BW, Tenderholt AL, Godwin HA: Spectroscopic determination of the binding affinity of zinc to the DNA-binding domains of nuclear hormone receptors. Biochemistry. 2003 Dec 9;42(48):14214-24."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0002365	HDAC1	Q13547	HDAC1_HUMAN	cofactor	16439135; 29616828	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0003523	HDAC4	P56524	HDAC4_HUMAN	cofactor	16439135; 29616828	"Bhuiyan MP, Kato T, Okauchi T, Nishino N, Maeda S, Nishino TG, Yoshida M: Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases. Bioorg Med Chem. 2006 May 15;14(10):3438-46. Epub 2006 Jan 24.@@Zhang L, Zhang J, Jiang Q, Zhang L, Song W: Zinc binding groups for histone deacetylase inhibitors. J Enzyme Inhib Med Chem. 2018 Dec;33(1):714-721. doi: 10.1080/14756366.2017.1417274."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0002390	SOD1	P00441	SODC_HUMAN	cofactor	16583143	"Krishnan U, Son M, Rajendran B, Elliott JL: Novel mutations that enhance or repress the aggregation potential of SOD1. Mol Cell Biochem. 2006 Jul;287(1-2):201-11. Epub 2006 Apr 1."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0001608	HDAC8	Q9BY41	HDAC8_HUMAN	cofactor	16681389	"Gantt SL, Gattis SG, Fierke CA: Catalytic activity and inhibition of human histone deacetylase 8 is dependent on the identity of the active site metal ion. Biochemistry. 2006 May 16;45(19):6170-8."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000433	GLRA1	P23415	GLRA1_HUMAN	inhibitor	16842826	"Chen Z, Dillon GH, Huang R: Identification of residues critical for Cu2+-mediated inhibition of glycine alpha1 receptors. Neuropharmacology. 2006 Sep;51(4):701-8. Epub 2006 Jul 12."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0005835	UTRN	P46939	UTRO_HUMAN	cofactor	17009962	"Hnia K, Zouiten D, Cantel S, Chazalette D, Hugon G, Fehrentz JA, Masmoudi A, Diment A, Bramham J, Mornet D, Winder SJ: ZZ domain of dystrophin and utrophin: topology and mapping of a beta-dystroglycan interaction site. Biochem J. 2007 Feb 1;401(3):667-77."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0008994	TP73	O15350	P73_HUMAN	chaperone	17170001	"Lokshin M, Li Y, Gaiddon C, Prives C: p53 and p73 display common and distinct requirements for sequence specific binding to DNA. Nucleic Acids Res. 2007;35(1):340-52. Epub 2006 Dec 14."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000910	A2M	P01023	A2MG_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0005852	APOBR	Q0VD83	APOBR_HUMAN	inducer	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0003455	C3	P01024	CO3_HUMAN	inhibitor	23896426; 25393287	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Smailhodzic D, van Asten F, Blom AM, Mohlin FC, den Hollander AI, van de Ven JP, van Huet RA, Groenewoud JM, Tian Y, Berendschot TT, Lechanteur YT, Fauser S, de Bruijn C, Daha MR, van der Wilt GJ, Hoyng CB, Klevering BJ: Zinc supplementation inhibits complement activation in age-related macular degeneration. PLoS One. 2014 Nov 13;9(11):e112682. doi: 10.1371/journal.pone.0112682. eCollection 2014."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000855	C5	P01031	CO5_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009053	CFH	P08603	CFAH_HUMAN	ligand	21396937	"Nan R, Farabella I, Schumacher FF, Miller A, Gor J, Martin AC, Jones DT, Lengyel I, Perkins SJ: Zinc binding to the Tyr402 and His402 allotypes of complement factor H: possible implications for age-related macular degeneration. J Mol Biol. 2011 May 13;408(4):714-35. doi: 10.1016/j.jmb.2011.03.006. Epub 2011  Mar 17."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0001140	CP	P00450	CERU_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0001180	FN1	P02751	FINC_HUMAN	modulator	23896426; 20541508	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Graille M, Pagano M, Rose T, Ravaux MR, van Tilbeurgh H: Zinc induces structural reorganization of gelatin binding domain from human fibronectin and affects collagen binding. Structure. 2010 Jun 9;18(6):710-8. doi: 10.1016/j.str.2010.03.012."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009060	ITIH2	P19823	ITIH2_HUMAN	binder	23896426; 6164311	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009081	ITIH3	Q06033	ITIH3_HUMAN	binder	23896426; 6164311	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Salier JP, Martin JP, Lambin P, McPhee H, Hochstrasser K: Purification of the human serum inter-alpha-trypsin inhibitor by zinc chelate and hydrophobic interaction chromatographies. Anal Biochem. 1980 Dec;109(2):273-83. doi: 10.1016/0003-2697(80)90649-1."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	23896426; 20615447	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Goettig P, Magdolen V, Brandstetter H: Natural and synthetic inhibitors of kallikrein-related peptidases (KLKs). Biochimie. 2010 Nov;92(11):1546-67. doi: 10.1016/j.biochi.2010.06.022. Epub 2010 Jul 6."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009064	KRT9	P35527	K1C9_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0005533	SEPP1	P49908	SEPP1_HUMAN	binder	23896426; 23652332	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Du X, Li H, Wang Z, Qiu S, Liu Q, Ni J: Selenoprotein P and selenoprotein M block Zn2+ -mediated Abeta42 aggregation and toxicity. Metallomics. 2013 Jun;5(7):861-70. doi: 10.1039/c3mt20282h."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000209	SERPINA6	P08185	CBG_HUMAN	modulator	23896426; 12943704	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Hammond GL, Avvakumov GV, Muller YA: Structure/function analyses of human sex hormone-binding globulin: effects of zinc on steroid-binding specificity. J Steroid Biochem Mol Biol. 2003 Jun;85(2-5):195-200. doi: 10.1016/s0960-0760(03)00195-x."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0000337	TTR	P02766	TTHY_HUMAN	inducer	23896426; 22120741	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Castro-Rodrigues AF, Gales L, Saraiva MJ, Damas AM: Structural insights into a zinc-dependent pathway leading to Leu55Pro transthyretin amyloid fibrils. Acta Crystallogr D Biol Crystallogr. 2011 Dec;67(Pt 12):1035-44. doi: 10.1107/S090744491104491X. Epub 2011 Nov 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0003392	APP	P05067	A4_HUMAN	ligand	24855651	"Mayer MC, Kaden D, Schauenburg L, Hancock MA, Voigt P, Roeser D, Barucker C, Than ME, Schaefer M, Multhaup G: Novel zinc-binding site in the E2 domain regulates amyloid precursor-like protein 1 (APLP1) oligomerization. J Biol Chem. 2014 Jul 4;289(27):19019-30. doi: 10.1074/jbc.M114.570382. Epub 2014 May 22."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0001717	PARP1	P09874	PARP1_HUMAN	component of	25549802	"Bossak K, Goch W, Piatek K, Fraczyk T, Poznanski J, Bonna A, Keil C, Hartwig A, Bal W: Unusual Zn(II) Affinities of Zinc Fingers of Poly(ADP-ribose)Polymerase 1 (PARP-1) Nuclear Protein. Chem Res Toxicol. 2015 Feb 16;28(2):191-201."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009908	APOB	P04114	APOB_HUMAN	ligand	23896426	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14548	"Zinc sulfate, unspecified form"	BE0009910	HRG	P04196	HRG_HUMAN	cofactor	23896426; 17968515	"Wang F, Chmil C, Pierce F, Ganapathy K, Gump BB, MacKenzie JA, Metchref Y, Bendinskas K: Immobilized metal affinity chromatography and human serum proteomics. J Chromatogr B Analyt Technol Biomed Life Sci. 2013 Sep 1;934:26-33. doi: 10.1016/j.jchromb.2013.06.032. Epub 2013 Jul 5.@@Tubek S, Grzanka P, Tubek I: Role of zinc in hemostasis: a review. Biol Trace Elem Res. 2008 Jan;121(1):1-8. doi: 10.1007/s12011-007-8038-y. Epub 2007 Oct 30."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14562	Andexanet alfa	BE0000967	TFPI	P10646	TFPI1_HUMAN	inhibitor			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Peptide Hydrolases; Biological Factors; Antidotes; Hydrolases; Coagulants; Enzymes and Coenzymes; Serine Proteases; Endopeptidases; Proteins; Blood Coagulation Factors; Blood Proteins; Factor X; Amino Acids, Peptides, and Proteins; Serine Endopeptidases; Enzymes"						23854						Andexanet_alfa		2045114
DB14580	Lecanemab	BE0003392	APP	P05067	A4_HUMAN	binder	27048170; 33865446	"Logovinsky V, Satlin A, Lai R, Swanson C, Kaplow J, Osswald G, Basun H, Lannfelt L: Safety and tolerability of BAN2401--a clinical study in Alzheimer's disease with a protofibril selective Abeta antibody. Alzheimers Res Ther. 2016 Apr 6;8(1):14. doi: 10.1186/s13195-016-0181-2.@@Swanson CJ, Zhang Y, Dhadda S, Wang J, Kaplow J, Lai RYK, Lannfelt L, Bradley H, Rabe M, Koyama A, Reyderman L, Berry DA, Berry S, Gordon R, Kramer LD, Cummings JL: A randomized, double-blind, phase 2b proof-of-concept clinical trial in early Alzheimer's disease with lecanemab, an anti-Abeta protofibril antibody. Alzheimers Res Ther. 2021 Apr 17;13(1):80. doi: 10.1186/s13195-021-00813-8."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Globulins; Amyloid Beta-directed Antibodies; Immunoproteins; Alzheimer Disease, drug therapy; Proteins; Alzheimer Disease; Blood Proteins; Amino Acids, Peptides, and Proteins"												Lecanemab		2626143
DB14581	CPI-1205	BE0009562	EZH2	Q15910	EZH2_HUMAN	inhibitor	27739677	"Vaswani RG, Gehling VS, Dakin LA, Cook AS, Nasveschuk CG, Duplessis M, Iyer P, Balasubramanian S, Zhao F, Good AC, Campbell R, Lee C, Cantone N, Cummings RT, Normant E, Bellon SF, Albrecht BK, Harmange JC, Trojer P, Audia JE, Zhang Y, Justin N, Chen S, Wilson JR, Gamblin SJ: Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1 -(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas. J Med Chem. 2016 Nov 10;59(21):9928-9941. doi: 10.1021/acs.jmedchem.6b01315. Epub 2016 Oct 28."	Investigational			"Enzyme Inhibitors; Heterocyclic Compounds, Fused-Ring"	COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1													
DB14583	Segesterone acetate	BE0000557	PGR	P06401	PRGR_HUMAN	agonist	27824503; 19434887; 11108869	"Kumar N, Fagart J, Liere P, Mitchell SJ, Knibb AR, Petit-Topin I, Rame M, El-Etr M, Schumacher M, Lambert JJ, Rafestin-Oblin ME, Sitruk-Ware R: Nestorone(R) as a Novel Progestin for Nonoral Contraception: Structure-Activity Relationships and Brain Metabolism Studies. Endocrinology. 2017 Jan 1;158(1):170-182. doi: 10.1210/en.2016-1426.@@Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2008 Sep-Oct;61(1-2):151-7.@@Kumar N, Koide SS, Tsong Y, Sundaram K: Nestorone: a progestin with a unique pharmacological profile. Steroids. 2000 Oct-Nov;65(10-11):629-36."	Approved; Experimental; Investigational			"Norsteroids; Pregnenes; Intravaginal Contraceptives; Contraceptive Devices, Female; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Gonadal Steroid Hormones; Pharmaceutical Preparations; Drug Implants; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]											Segesterone_acetate	CHEMBL3707377	2055977
DB14583	Segesterone acetate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19434887	Sitruk-Ware R: Pharmacological profile of progestins. Maturitas. 2008 Sep-Oct;61(1-2):151-7.	Approved; Experimental; Investigational			"Norsteroids; Pregnenes; Intravaginal Contraceptives; Contraceptive Devices, Female; Cytochrome P-450 CYP3A Substrates; Estradiol Congeners; Progestins; Cytochrome P-450 Substrates; Norpregnenes; Hormonal Contraceptives for Systemic Use; Steroids; Hormones; Norpregnanes; Fused-Ring Compounds; Reproductive Control Agents; Adrenal Cortex Hormones; Gonadal Hormones; Norpregnatrienes; Cytochrome P-450 CYP3A4 Substrates; Contraceptive Agents, Hormonal; Estrogenic Steroids, Alkylated; Gonadal Steroid Hormones; Pharmaceutical Preparations; Drug Implants; Contraceptive Agents, Female; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]											Segesterone_acetate	CHEMBL3707377	2055977
DB14597	Lanadelumab	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	27960628; 29043014; 28225674; 31657963	"Reichert JM: Antibodies to watch in 2017. MAbs. 2017 Feb/Mar;9(2):167-181. doi: 10.1080/19420862.2016.1269580. Epub 2016 Dec 14.@@Riedl MA, Bernstein JA, Craig T, Banerji A, Magerl M, Cicardi M, Longhurst HJ, Shennak MM, Yang WH, Schranz J, Baptista J, Busse PJ: An open-label study to evaluate the long-term safety and efficacy of lanadelumab for prevention of attacks in hereditary angioedema: design of the HELP study extension. Clin Transl Allergy. 2017 Oct 6;7:36. doi: 10.1186/s13601-017-0172-9. eCollection 2017.@@Banerji A, Busse P, Shennak M, Lumry W, Davis-Lorton M, Wedner HJ, Jacobs J, Baker J, Bernstein JA, Lockey R, Li HH, Craig T, Cicardi M, Riedl M, Al-Ghazawi A, Soo C, Iarrobino R, Sexton DJ, TenHoor C, Kenniston JA, Faucette R, Still JG, Kushner H, Mensah R, Stevens C, Biedenkapp JC, Chyung Y, Adelman B: Inhibiting Plasma Kallikrein for Hereditary Angioedema Prophylaxis. N Engl J Med. 2017 Feb 23;376(8):717-728. doi: 10.1056/NEJMoa1605767.@@Wu MA: Lanadelumab for the treatment of hereditary angioedema. Expert Opin Biol Ther. 2019 Dec;19(12):1233-1245. doi: 10.1080/14712598.2019.1685490. Epub 2019 Nov 4."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Drugs Used in Hereditary Angioedema; Immunoglobulins; Serum Globulins; Kallikrein Inhibitors; Blood and Blood Forming Organs; Immunoproteins; Antibodies, Monoclonal, Humanized; Plasma Kallikrein Inhibitor; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						22978						Lanadelumab		2055640
DB14631	Prednisolone phosphate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15634032	"Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7630						Prednisolone_sodium_phosphate	CHEMBL1201231	
DB14631	Prednisolone phosphate	BE0000422	ANXA1	P04083	ANXA1_HUMAN	ligand	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP2B6 Inducers; Hormones; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Adrenals; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7630						Prednisolone_sodium_phosphate	CHEMBL1201231	
DB14635	Curcumin sulfate	BE0000215	PPARG	P37231	PPARG_HUMAN		15713005	"Nishiyama T, Mae T, Kishida H, Tsukagawa M, Mimaki Y, Kuroda M, Sashida Y, Takahashi K, Kawada T, Nakagawa K, Kitahara M: Curcuminoids and sesquiterpenoids in turmeric (Curcuma longa L.) suppress an increase in blood glucose level in type 2 diabetic KK-Ay mice. J Agric Food Chem. 2005 Feb 23;53(4):959-63."	Experimental	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O													
DB14635	Curcumin sulfate	BE0000779	VDR	P11473	VDR_HUMAN		20153625	"Bartik L, Whitfield GK, Kaczmarska M, Lowmiller CL, Moffet EW, Furmick JK, Hernandez Z, Haussler CA, Haussler MR, Jurutka PW: Curcumin: a novel nutritionally derived ligand of the vitamin D receptor with implications for colon cancer chemoprevention. J Nutr Biochem. 2010 Dec;21(12):1153-61. doi: 10.1016/j.jnutbio.2009.09.012. Epub 2010 Feb 12."	Experimental	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O													
DB14635	Curcumin sulfate	BE0003639	ABCC5	O15440	MRP5_HUMAN		23978416	Prehm P: Curcumin analogue identified as hyaluronan export inhibitor by virtual docking to the ABC transporter MRP5. Food Chem Toxicol. 2013 Dec;62:76-81. doi: 10.1016/j.fct.2013.08.028. Epub 2013 Aug 24.	Experimental	Curcuminoids	Organic compounds; Phenylpropanoids and polyketides; Diarylheptanoids; Linear diarylheptanoids	Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O													
DB14641	Estriol tripropionate	BE0000123	ESR1	P03372	ESR1_HUMAN		2011412; 11752352	"Sasson S: Equilibrium binding analysis of estrogen agonists and antagonists: relation to the activation of the estrogen receptor. Pathol Biol (Paris). 1991 Jan;39(1):59-69.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters		[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC											Estriol_tripropionate	CHEMBL3559901	
DB14641	Estriol tripropionate	BE0000792	ESR2	Q92731	ESR2_HUMAN		16199482	"Mishra RG, Stanczyk FZ, Burry KA, Oparil S, Katzenellenbogen BS, Nealen ML, Katzenellenbogen JA, Hermsmeyer RK: Metabolite ligands of estrogen receptor-beta reduce primate coronary hyperreactivity. Am J Physiol Heart Circ Physiol. 2006 Jan;290(1):H295-303. Epub 2005 Sep 30."	Experimental	Steroid esters	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroid esters		[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC											Estriol_tripropionate	CHEMBL3559901	
DB14649	Dexamethasone acetate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	16835395; 16891588; 16956592; 16963802; 16971495	"Warne JP, John CD, Christian HC, Morris JF, Flower RJ, Sugden D, Solito E, Gillies GE, Buckingham JC: Gene deletion reveals roles for annexin A1 in the regulation of lipolysis and IL-6 release in epididymal adipose tissue. Am J Physiol Endocrinol Metab. 2006 Dec;291(6):E1264-73. Epub 2006 Jul 11.@@Grossman R, Yehuda R, Golier J, McEwen B, Harvey P, Maria NS: Cognitive effects of intravenous hydrocortisone in subjects with PTSD and healthy control subjects. Ann N Y Acad Sci. 2006 Jul;1071:410-21.@@Funato H, Kobayashi A, Watanabe Y: Differential effects of antidepressants on dexamethasone-induced nuclear translocation and expression of glucocorticoid receptor. Brain Res. 2006 Oct 30;1117(1):125-34. Epub 2006 Sep 7.@@Vaitkuviene A, Ulinskaite A, Meskys R, Duburs G, Klusa V, Liutkevicius E: Study of the interaction of 1,4-dihydropyridine derivatives with glucocorticoid hormone receptors from the rat liver. Pharmacol Rep. 2006 Jul-Aug;58(4):551-8.@@Wang D, Zhang H, Lang F, Yun CC: Acute activation of NHE3 by dexamethasone correlates with activation of SGK1 and requires a functional glucocorticoid receptor. Am J Physiol Cell Physiol. 2007 Jan;292(1):C396-404. Epub 2006 Sep 13."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C							D07796				Dexamethasone_acetate	CHEMBL1530428	
DB14649	Dexamethasone acetate	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	16883066; 17076770; 17158208; 17644190	"Morand EF, Hall P, Hutchinson P, Yang YH: Regulation of annexin I in rheumatoid synovial cells by glucocorticoids and interleukin-1. Mediators Inflamm. 2006;2006(2):73835.@@John CD, Theogaraj E, Christian HC, Morris JF, Smith SF, Buckingham JC: Time-specific effects of perinatal glucocorticoid treatment on anterior pituitary morphology, annexin 1 expression and adrenocorticotrophic hormone secretion in the adult female rat. J Neuroendocrinol. 2006 Dec;18(12):949-59.@@Davies E, Omer S, Buckingham JC, Morris JF, Christian HC: Expression and externalization of annexin 1 in the adrenal gland: structure and function of the adrenal gland in annexin 1-null mutant mice. Endocrinology. 2007 Mar;148(3):1030-8. Epub 2006 Dec 7.@@Wang C, Wang J, Guo HF, Liu RY: Involvement of annexin I in the dexamethasone-mediated upregulation of A549 cells phagocytosis of apoptotic eosinophils. Immunol Lett. 2007 Aug 15;111(2):103-10. Epub 2007 Jul 2."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C							D07796				Dexamethasone_acetate	CHEMBL1530428	
DB14649	Dexamethasone acetate	BE0000956	NR1I2	O75469	NR1I2_HUMAN	agonist	16054614	"Kretschmer XC, Baldwin WS: CAR and PXR: xenosensors of endocrine disrupters? Chem Biol Interact. 2005 Aug 15;155(3):111-28."	Approved; Investigational; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"Pregnadienes; BSEP/ABCB11 inducers; OAT3/SLC22A8 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 CYP3A4 Inducers (moderate); Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 CYP3A7 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); P-glycoprotein substrates; Pregnadienetriols; Steroids; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Fused-Ring Compounds; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Corticosteroids; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2A6 Inducers; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A7 Substrates; Pregnanes"	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C							D07796				Dexamethasone_acetate	CHEMBL1530428	
DB14669	Betamethasone phosphate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	15634032	"Czock D, Keller F, Rasche FM, Haussler U: Pharmacokinetics and pharmacodynamics of systemically administered glucocorticoids. Clin Pharmacokinet. 2005;44(1):61-98. doi: 10.2165/00003088-200544010-00003."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C											Betamethasone_phosphate	CHEMBL1201207	
DB14669	Betamethasone phosphate	BE0000422	ANXA1	P04083	ANXA1_HUMAN	agonist	8060156	"Serres M, Viac J, Comera C, Schmitt D: Expression of annexin I in freshly isolated human epidermal cells and in cultured keratinocytes. Arch Dermatol Res. 1994;286(5):268-72."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	"OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; P-glycoprotein inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Pregnadienetriols; Steroids; Hormones; Fused-Ring Compounds; Steroids, Fluorinated; Adrenal Cortex Hormones; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Pregnadienes; Glucocorticoids; Pregnanes; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C											Betamethasone_phosphate	CHEMBL1201207	
DB14672	Oxazepam acetate	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants"	CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O												CHEMBL146245	
DB14672	Oxazepam acetate	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental	"1,4-benzodiazepines"	"Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines"	"Benzazepines; Heterocyclic Compounds, Fused-Ring; Benzodiazepinones; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants"	CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O												CHEMBL146245	
DB14700	Damoctocog alfa pegol	BE0000016	F8	P00451	FA8_HUMAN	binder	29765290; 29899890; 27434619; 20194895	"Graf L: Extended Half-Life Factor VIII and Factor IX Preparations. Transfus Med Hemother. 2018 Apr;45(2):86-91. doi: 10.1159/000488060. Epub 2018 Mar 21.@@Morfini M, Gherardini S: Pharmacokinetic-based prediction of real-life dosing of extended half-life clotting factor concentrates on hemophilia. Ther Adv Hematol. 2018 Jun;9(6):149-162. doi: 10.1177/2040620718774258. Epub 2018 Jun 5.@@Klamroth R, Simpson M, von Depka-Prondzinski M, Gill JC, Morfini M, Powell JS, Santagostino E, Davis J, Huth-Kuhne A, Leissinger C, Neumeister P, Bensen-Kennedy D, Feussner A, Limsakun T, Zhou M, Veldman A, St Ledger K, Blackman N, Pabinger I: Comparative pharmacokinetics of rVIII-SingleChain and octocog alfa (Advate((R)) ) in patients with severe haemophilia A. Haemophilia. 2016 Sep;22(5):730-8. doi: 10.1111/hae.12985. Epub 2016 Jul 19.@@Mei B, Pan C, Jiang H, Tjandra H, Strauss J, Chen Y, Liu T, Zhang X, Severs J, Newgren J, Chen J, Gu JM, Subramanyam B, Fournel MA, Pierce GF, Murphy JE: Rational design of a fully active, long-acting PEGylated factor VIII for hemophilia A treatment. Blood. 2010 Jul 15;116(2):270-9. doi: 10.1182/blood-2009-11-254755. Epub 2010 Mar 1."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Pegylated agents; Blood Coagulation Factors						23004						Damoctocog_alfa_pegol		2055655
DB14715	Cinazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental			"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives"	OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O											Cinazepam	CHEMBL1095299	
DB14715	Cinazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental			"Benzazepines; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives"	OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O											Cinazepam	CHEMBL1095299	
DB14719	Bentazepam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental			Anti-Anxiety Agents; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics	O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1							D03083				Bentazepam	CHEMBL1521495	
DB14719	Bentazepam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental			Anti-Anxiety Agents; Central Nervous System Agents; Benzodiazepines and benzodiazepine derivatives; Central Nervous System Depressants; Hypnotics and Sedatives; Nervous System; Psycholeptics	O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1							D03083				Bentazepam	CHEMBL1521495	
DB14723	Larotrectinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor			Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1					23320						Larotrectinib	CHEMBL3889654	2105628
DB14723	Larotrectinib	BE0003605	NTRK2	Q16620	NTRK2_HUMAN	inhibitor			Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1					23320						Larotrectinib	CHEMBL3889654	2105628
DB14723	Larotrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1					23320						Larotrectinib	CHEMBL3889654	2105628
DB14731	Tagraxofusp	BE0001036	IL3RA	P26951	IL3RA_HUMAN	ligand	30621282	"Alkharabsheh O, Frankel AE: Clinical Activity and Tolerability of SL-401 (Tagraxofusp): Recombinant Diphtheria Toxin and Interleukin-3 in Hematologic Malignancies. Biomedicines. 2019 Jan 5;7(1). pii: biomedicines7010006. doi: 10.3390/biomedicines7010006."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; CD123 Interaction; Antineoplastic and Immunomodulating Agents; Cytotoxins; CD123 Interactions; Proteins; Narrow Therapeutic Index Drugs; Amino Acids, Peptides, and Proteins; Antineoplastic Agents; Recombinant Fusion Proteins"												Tagraxofusp		2109054
DB14738	Turoctocog alfa pegol	BE0000364	F9	P00740	FA9_HUMAN	activator			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins"						23316						Turoctocog_alfa		
DB14738	Turoctocog alfa pegol	BE0001043	VWF	P04275	VWF_HUMAN	binder	17425686	"Lenting PJ, VAN Schooten CJ, Denis CV: Clearance mechanisms of von Willebrand factor and factor VIII. J Thromb Haemost. 2007 Jul;5(7):1353-60. doi: 10.1111/j.1538-7836.2007.02572.x. Epub 2007 Apr 7."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins"						23316						Turoctocog_alfa		
DB14740	Hyaluronidase	BE0000984	TGFB1	P01137	TGFB1_HUMAN	inhibitor	11327694; 7648625; 9435505; 9850732	"Chang NS: Hyaluronidase activation of c-Jun N-terminal kinase is necessary for protection of L929 fibrosarcoma cells from staurosporine-mediated cell death. Biochem Biophys Res Commun. 2001 May 4;283(2):278-86.@@Locci P, Marinucci L, Lilli C, Martinese D, Becchetti E: Transforming growth factor beta 1-hyaluronic acid interaction. Cell Tissue Res. 1995 Aug;281(2):317-24.@@Chang NS: Hyaluronidase enhancement of TNF-mediated cell death is reversed by TGF-beta 1. Am J Physiol. 1997 Dec;273(6 Pt 1):C1987-94.@@Chang NS: Transforming growth factor-beta protection of cancer cells against tumor necrosis factor cytotoxicity is counteracted by hyaluronidase (review). Int J Mol Med. 1998 Dec;2(6):653-9."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Lyases; Polysaccharide-Lyases; Glycoside Hydrolases; Carbon-Oxygen Lyases; Blood and Blood Forming Organs; Enzymes and Coenzymes; Hydrolases; Hyaluronoglucosaminidase, antagonists & inhibitors; Enzymes"						6039		D04456				Hyaluronidase		578350
DB14751	Mecasermin rinfabate	BE0000858	IGF1R	P08069	IGF1R_HUMAN	agonist	19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues"												Mecasermin_rinfabate		616877
DB14751	Mecasermin rinfabate	BE0000033	INSR	P06213	INSR_HUMAN		19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues"												Mecasermin_rinfabate		616877
DB14751	Mecasermin rinfabate	BE0003623	IGF2R	P11717	MPRI_HUMAN		19198769	Rosenbloom AL: Mecasermin (recombinant human insulin-like growth factor I). Adv Ther. 2009 Jan;26(1):40-54. doi: 10.1007/s12325-008-0136-5. Epub 2009 Jan 28.	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Anterior Pituitary Lobe Hormones and Analogues; Pituitary and Hypothalamic Hormones and Analogues"												Mecasermin_rinfabate		616877
DB14754	Solriamfetol	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN		29891587	"Baladi MG, Forster MJ, Gatch MB, Mailman RB, Hyman DL, Carter LP, Janowsky A: Characterization of the Neurochemical and Behavioral Effects of Solriamfetol (JZP-110), a Selective Dopamine and Norepinephrine Reuptake Inhibitor. J Pharmacol Exp Ther. 2018 Aug;366(2):367-376. doi: 10.1124/jpet.118.248120. Epub 2018 Jun 11."	Approved			"MATE 1 Substrates; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic; OCT2 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Adrenergic Agents; Psychoanaleptics; Wakefulness-Promoting Agents; Drugs that are Mainly Renally Excreted; Psychostimulants, Agents Used for ADHD and Nootropics; Amino Acids; Acids, Acyclic; Agents that produce hypertension; Centrally Acting Sympathomimetics; Norepinephrine Reuptake Inhibitor; Amino Acids, Cyclic; Central Nervous System Agents; Nervous System; MATE substrates; Dopamine Uptake Inhibitors; Dopamine Agents; Dopamine And Norepinephrine Reuptake Inhibitors"	N[C@@H](COC(N)=O)CC1=CC=CC=C1					23590						Solriamfetol	CHEMBL4297620	2121751
DB14754	Solriamfetol	BE0000486	SLC6A2	P23975	SC6A2_HUMAN		29891587	"Baladi MG, Forster MJ, Gatch MB, Mailman RB, Hyman DL, Carter LP, Janowsky A: Characterization of the Neurochemical and Behavioral Effects of Solriamfetol (JZP-110), a Selective Dopamine and Norepinephrine Reuptake Inhibitor. J Pharmacol Exp Ther. 2018 Aug;366(2):367-376. doi: 10.1124/jpet.118.248120. Epub 2018 Jun 11."	Approved			"MATE 1 Substrates; Agents producing tachycardia; Amino Acids, Peptides, and Proteins; Antidepressive Agents; Amino Acids, Aromatic; OCT2 Substrates; Central Nervous System Depressants; Adrenergic Uptake Inhibitors; Adrenergic Agents; Psychoanaleptics; Wakefulness-Promoting Agents; Drugs that are Mainly Renally Excreted; Psychostimulants, Agents Used for ADHD and Nootropics; Amino Acids; Acids, Acyclic; Agents that produce hypertension; Centrally Acting Sympathomimetics; Norepinephrine Reuptake Inhibitor; Amino Acids, Cyclic; Central Nervous System Agents; Nervous System; MATE substrates; Dopamine Uptake Inhibitors; Dopamine Agents; Dopamine And Norepinephrine Reuptake Inhibitors"	N[C@@H](COC(N)=O)CC1=CC=CC=C1					23590						Solriamfetol	CHEMBL4297620	2121751
DB14766	Etrasimod	BE0008652	S1PR1	P21453	S1PR1_HUMAN	modulator			Approved			"Fatty Acids, Volatile; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Cytochrome P-450 CYP3A Substrates; Acids, Acyclic; Fatty Acids; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates"	OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1											Etrasimod	CHEMBL3358920	2668045
DB14766	Etrasimod	BE0002432	S1PR5	Q9H228	S1PR5_HUMAN	modulator			Approved			"Fatty Acids, Volatile; Cytochrome P-450 CYP2C19 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Lipids; Cytochrome P-450 CYP3A Substrates; Acids, Acyclic; Fatty Acids; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C8 Substrates"	OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1											Etrasimod	CHEMBL3358920	2668045
DB14776	Camrelizumab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor	33807678	"Kyriakidis I, Vasileiou E, Rossig C, Roilides E, Groll AH, Tragiannidis A: Invasive Fungal Diseases in Children with Hematological Malignancies Treated with Therapies That Target Cell Surface Antigens: Monoclonal Antibodies, Immune Checkpoint Inhibitors and CAR T-Cell Therapies. J Fungi (Basel). 2021 Mar 5;7(3). pii: jof7030186. doi: 10.3390/jof7030186."	Investigational			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Immune Checkpoint Inhibitors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Camrelizumab		
DB14805	Piflufolastat F 18	BE0000568	FOLH1	Q04609	FOLH1_HUMAN	binder	23256224	Shan L: 2-(3-{1-Carboxy-5-[(6-[(18)F]fluoro-pyridine-3-carbonyl)-amino]-pentyl}-ureido)-p entanedioic acid .	Approved; Investigational			"Amino Acids; Amino Acids, Basic; Diagnostic Radiopharmaceuticals; Amino Acids, Essential; Amino Acids, Peptides, and Proteins; Fluorine Radioisotopes; Amides; Positron Emitting Activity; Amino Acids, Diamino; Radioactive Diagnostic Agent"	OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(O)=O)C(O)=O												CHEMBL4297334	2556616
DB14840	Ripretinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	31755321; 32273716	"Nemunaitis J, Bauer S, Blay JY, Choucair K, Gelderblom H, George S, Schoffski P, Mehren MV, Zalcberg J, Achour H, Ruiz-Soto R, Heinrich MC: Intrigue: Phase III study of ripretinib versus sunitinib in advanced gastrointestinal stromal tumor after imatinib. Future Oncol. 2020 Jan;16(1):4251-4264. doi: 10.2217/fon-2019-0633. Epub 2019 Nov 22.@@Liu P, Tan F, Liu H, Li B, Lei T, Zhao X: The Use of Molecular Subtypes for Precision Therapy of Recurrent and Metastatic Gastrointestinal Stromal Tumor. Onco Targets Ther. 2020 Mar 24;13:2433-2447. doi: 10.2147/OTT.S241331. eCollection 2020."	Approved			"Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents"	CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1					23473			PA166270781			Ripretinib	CHEMBL4216467	2369389
DB14840	Ripretinib	BE0003379	TEK	Q02763	TIE2_HUMAN	inhibitor			Approved			"Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents"	CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1					23473			PA166270781			Ripretinib	CHEMBL4216467	2369389
DB14840	Ripretinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor			Approved			"Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents"	CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1					23473			PA166270781			Ripretinib	CHEMBL4216467	2369389
DB14840	Ripretinib	BE0000634	BRAF	P15056	BRAF_HUMAN	inhibitor			Approved			"Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents"	CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1					23473			PA166270781			Ripretinib	CHEMBL4216467	2369389
DB14840	Ripretinib	BE0000852	PDGFRA	P16234	PGFRA_HUMAN	inhibitor	31267077; 31205499	"Villanueva MT: Ripretinib turns off the switch in GIST. Nat Rev Drug Discov. 2019 Jul;18(7):499. doi: 10.1038/d41573-019-00099-4.@@Mazzocca A, Napolitano A, Silletta M, Spalato Ceruso M, Santini D, Tonini G, Vincenzi B: New frontiers in the medical management of gastrointestinal stromal tumours. Ther Adv Med Oncol. 2019 May 17;11:1758835919841946. doi: 10.1177/1758835919841946. eCollection 2019."	Approved			"Cytochrome P-450 CYP3A Substrates; Amides; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Stem Cell Factor (KIT) Receptor Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); P-glycoprotein substrates; Antineoplastic Agents; Platelet-derived Growth Factor alpha Receptor Inhibitors; BCRP/ABCG2 Substrates; Cytochrome P-450 CYP2E1 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; MATE inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents"	CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1					23473			PA166270781			Ripretinib	CHEMBL4216467	2369389
DB14845	Filgotinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	31912462	"Tarrant JM, Galien R, Li W, Goyal L, Pan Y, Hawtin R, Zhang W, Van der Aa A, Taylor PC: Filgotinib, a JAK1 Inhibitor, Modulates Disease-Related Biomarkers in Rheumatoid Arthritis: Results from Two Randomized, Controlled Phase 2b Trials. Rheumatol Ther. 2020 Mar;7(1):173-190. doi: 10.1007/s40744-019-00192-5. Epub 2020 Jan 7."	Approved; Investigational			"Janus Kinases, antagonists & inhibitors; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Arthritis, Rheumatoid, drug therapy; Selective Immunosuppressants; P-glycoprotein substrates; Janus Kinase 1, antagonists & inhibitors"	O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1											Filgotinib	CHEMBL3301607	
DB14914	Flortaucipir F-18	BE0003474	MAPT	P10636	TAU_HUMAN	binder	31172290; 23411393; 27660144; 29278274	"Wang YT, Edison P: Tau Imaging in Neurodegenerative Diseases Using Positron Emission Tomography. Curr Neurol Neurosci Rep. 2019 Jun 6;19(7):45. doi: 10.1007/s11910-019-0962-7.@@Xia CF, Arteaga J, Chen G, Gangadharmath U, Gomez LF, Kasi D, Lam C, Liang Q, Liu C, Mocharla VP, Mu F, Sinha A, Su H, Szardenings AK, Walsh JC, Wang E, Yu C, Zhang W, Zhao T, Kolb HC: [(18)F]T807, a novel tau positron emission tomography imaging agent for Alzheimer's disease. Alzheimers Dement. 2013 Nov;9(6):666-76. doi: 10.1016/j.jalz.2012.11.008. Epub 2013 Feb 12.@@Wooten DW, Guehl NJ, Verwer EE, Shoup TM, Yokell DL, Zubcevik N, Vasdev N, Zafonte RD, Johnson KA, El Fakhri G, Normandin MD: Pharmacokinetic Evaluation of the Tau PET Radiotracer (18)F-T807 ((18)F-AV-1451) in Human Subjects. J Nucl Med. 2017 Mar;58(3):484-491. doi: 10.2967/jnumed.115.170910. Epub 2016 Sep 22.@@Vermeiren C, Motte P, Viot D, Mairet-Coello G, Courade JP, Citron M, Mercier J, Hannestad J, Gillard M: The tau positron-emission tomography tracer AV-1451 binds with similar affinities to tau fibrils and monoamine oxidases. Mov Disord. 2018 Feb;33(2):273-281. doi: 10.1002/mds.27271. Epub 2017 Dec 26."	Approved; Investigational			"Diagnostic Uses of Chemicals; Diagnostic Radiopharmaceuticals; Contrast Media; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Pyridines; Indoles; Central Nervous System; Compounds used in a research, industrial, or household setting"	[18F]C1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1											Flortaucipir_(18F)	CHEMBL3545253	2372689
DB14914	Flortaucipir F-18	BE0002196	MAOB	P27338	AOFB_HUMAN	binder	29278274	"Vermeiren C, Motte P, Viot D, Mairet-Coello G, Courade JP, Citron M, Mercier J, Hannestad J, Gillard M: The tau positron-emission tomography tracer AV-1451 binds with similar affinities to tau fibrils and monoamine oxidases. Mov Disord. 2018 Feb;33(2):273-281. doi: 10.1002/mds.27271. Epub 2017 Dec 26."	Approved; Investigational			"Diagnostic Uses of Chemicals; Diagnostic Radiopharmaceuticals; Contrast Media; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Pyridines; Indoles; Central Nervous System; Compounds used in a research, industrial, or household setting"	[18F]C1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1											Flortaucipir_(18F)	CHEMBL3545253	2372689
DB14917	Ceralasertib	BE0010060	ATR	Q13535	ATR_HUMAN	inhibitor	32878963	"McMullen M, Karakasis K, Loembe B, Dean E, Parr G, Oza AM: DUETTE: a phase II randomized, multicenter study to investigate the efficacy and tolerability of a second maintenance treatment in patients with platinum-sensitive relapsed epithelial ovarian cancer, who have previously received poly(ADP-ribose) polymerase (PARP) inhibitor maintenance treatment. Int J Gynecol Cancer. 2020 Nov;30(11):1824-1828. doi: 10.1136/ijgc-2020-001694. Epub 2020 Sep 2."	Investigational			"Heterocyclic Compounds, Fused-Ring; Sulfones; Oxazines; Sulfur Compounds; Amides"	C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2													
DB14924	Ritlecitinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	36091777; 35210753; 27791347	"Yan D, Fan H, Chen M, Xia L, Wang S, Dong W, Wang Q, Niu S, Rao H, Chen L, Nie X, Fang Y: The efficacy and safety of JAK inhibitors for alopecia areata: A systematic review and meta-analysis of prospective studies. Front Pharmacol. 2022 Aug 24;13:950450. doi: 10.3389/fphar.2022.950450. eCollection 2022.@@Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10."	Approved; Investigational			"Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates"	C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2					23902						Ritlecitinib	CHEMBL4085457	2641595
DB14924	Ritlecitinib	BE0009385	TEC	P42680	TEC_HUMAN	inhibitor	35210753	"Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022."	Approved; Investigational			"Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates"	C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2					23902						Ritlecitinib	CHEMBL4085457	2641595
DB14924	Ritlecitinib	BE0001341	ITK	Q08881	ITK_HUMAN	inhibitor	35210753; 27791347	"Ramirez-Marin HA, Tosti A: Evaluating the Therapeutic Potential of Ritlecitinib for the Treatment of Alopecia Areata. Drug Des Devel Ther. 2022 Feb 17;16:363-374. doi: 10.2147/DDDT.S334727. eCollection 2022.@@Telliez JB, Dowty ME, Wang L, Jussif J, Lin T, Li L, Moy E, Balbo P, Li W, Zhao Y, Crouse K, Dickinson C, Symanowicz P, Hegen M, Banker ME, Vincent F, Unwalla R, Liang S, Gilbert AM, Brown MF, Hayward M, Montgomery J, Yang X, Bauman J, Trujillo JI, Casimiro-Garcia A, Vajdos FF, Leung L, Geoghegan KF, Quazi A, Xuan D, Jones L, Hett E, Wright K, Clark JD, Thorarensen A: Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem Biol. 2016 Dec 16;11(12):3442-3451. doi: 10.1021/acschembio.6b00677. Epub 2016 Nov 10."	Approved; Investigational			"Immunomodulatory Agents; Janus Kinase Inhibitors; Immunosuppressive Agents; Janus Kinases, antagonists & inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase 3, antagonists & inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Substrates"	C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2					23902						Ritlecitinib	CHEMBL4085457	2641595
DB14960	Somatrogon	BE0000075	GHR	P10912	GHR_HUMAN	binder	26421979	"Carter-Su C, Schwartz J, Argetsinger LS: Growth hormone signaling pathways. Growth Horm IGF Res. 2016 Jun;28:11-5. doi: 10.1016/j.ghir.2015.09.002. Epub 2015 Sep 10."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Growth Hormone; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Somatropin and Somatropin Agonists; Peptides; Recombinant Human Growth Hormone; Anterior Pituitary Lobe Hormones and Analogues; Pituitary Hormones, Anterior; Pituitary Hormones; Amino Acids, Peptides, and Proteins; Pituitary and Hypothalamic Hormones and Analogues; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						23670						Somatrogon		2644503
DB14962	Trastuzumab deruxtecan	BE0000971	TOP1	P11387	TOP1_HUMAN	inhibitor	31047803	"Tamura K, Tsurutani J, Takahashi S, Iwata H, Krop IE, Redfern C, Sagara Y, Doi T, Park H, Murthy RK, Redman RA, Jikoh T, Lee C, Sugihara M, Shahidi J, Yver A, Modi S: Trastuzumab deruxtecan (DS-8201a) in patients with advanced HER2-positive breast cancer previously treated with trastuzumab emtansine: a dose-expansion, phase 1 study. Lancet Oncol. 2019 Jun;20(6):816-826. doi: 10.1016/S1470-2045(19)30097-X. Epub 2019 Apr 29."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; MATE 2 Substrates; Serum Globulins; Cancer immunotherapy; Immunoproteins; Topoisomerase Inhibitors; Antibodies, Monoclonal, Humanized; Cytochrome P-450 CYP3A Substrates; Globulins; Noxae; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; Cytochrome P-450 Substrates; Immunologic Factors; Proteins; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; HER2 Receptor Antagonists; Immunoglobulins; Antibody-drug Conjugates; Cytochrome P-450 CYP3A4 Substrates; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; OATP1B3 substrates; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Toxic Actions; MATE substrates; Blood Proteins"						23582						Trastuzumab_deruxtecan		2267574
DB14967	Margetuximab	BE0000511	ERBB2	P04626	ERBB2_HUMAN	antagonist			Approved; Investigational			"Antibodies; HER2 Receptor Antagonists; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; HER2 (Human Epidermal Growth Factor Receptor 2) inhibitors; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents"												Margetuximab		2473850
DB14973	Abrocitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor			Approved; Investigational			"Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors"	CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1					23751						Abrocitinib	CHEMBL3655081	2591476
DB14973	Abrocitinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor			Approved; Investigational			"Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors"	CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1					23751						Abrocitinib	CHEMBL3655081	2591476
DB14973	Abrocitinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor			Approved; Investigational			"Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors"	CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1					23751						Abrocitinib	CHEMBL3655081	2591476
DB14973	Abrocitinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor			Approved; Investigational			"Janus Kinases, antagonists & inhibitors; OAT3/SLC22A8 Substrates; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Sulfones; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C9 Substrates; Agents for Dermatitis, Excluding Corticosteroids; OCT1 inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors"	CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1					23751						Abrocitinib	CHEMBL3655081	2591476
DB14989	Umbralisib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	29475723; 30936084; 31558467; 32634240	"Burris HA 3rd, Flinn IW, Patel MR, Fenske TS, Deng C, Brander DM, Gutierrez M, Essell JH, Kuhn JG, Miskin HP, Sportelli P, Weiss MS, Vakkalanka S, Savona MR, O'Connor OA: Umbralisib, a novel PI3Kdelta and casein kinase-1epsilon inhibitor, in relapsed or refractory chronic lymphocytic leukaemia and lymphoma: an open-label, phase 1, dose-escalation, first-in-human study. Lancet Oncol. 2018 Apr;19(4):486-496. doi: 10.1016/S1470-2045(18)30082-2. Epub 2018 Feb 20.@@Authors unspecified: Umbralisib: Treatment for a Rare Lymphoma? Cancer Discov. 2019 Jun;9(6):OF5. doi: 10.1158/2159-8290.CD-NB2019-045. Epub 2019 Apr 1.@@Lunning M, Vose J, Nastoupil L, Fowler N, Burger JA, Wierda WG, Schreeder MT, Siddiqi T, Flowers CR, Cohen JB, Sportelli P, Miskin HP, Weiss MS, O'Brien S: Ublituximab and umbralisib in relapsed/refractory B-cell non-Hodgkin lymphoma and chronic lymphocytic leukemia. Blood. 2019 Nov 21;134(21):1811-1820. doi: 10.1182/blood.2019002118.@@Maharaj K, Powers JJ, Achille A, Mediavilla-Varela M, Gamal W, Burger KL, Fonseca R, Jiang K, Miskin HP, Maryanski D, Monastyrskyi A, Duckett DR, Roush WR, Cleveland JL, Sahakian E, Pinilla-Ibarz J: The dual PI3Kdelta/CK1epsilon inhibitor umbralisib exhibits unique immunomodulatory effects on CLL T cells. Blood Adv. 2020 Jul 14;4(13):3072-3084. doi: 10.1182/bloodadvances.2020001800."	Approved; Investigational; Withdrawn			"Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2											Umbralisib	CHEMBL3948730	2478439
DB14999	Human interferon beta	BE0000661	IFNAR1	P17181	INAR1_HUMAN	binder	17562848; 25356432; 27572132; 23913971	"Markowitz CE: Interferon-beta: mechanism of action and dosing issues. Neurology. 2007 Jun 12;68(24 Suppl 4):S8-11. doi: 10.1212/01.wnl.0000277703.74115.d2.@@Kasper LH, Reder AT: Immunomodulatory activity of interferon-beta. Ann Clin Transl Neurol. 2014 Aug;1(8):622-31. doi: 10.1002/acn3.84. Epub 2014 Jul 23.@@Haji Abdolvahab M, Mofrad MR, Schellekens H: Interferon Beta: From Molecular Level to Therapeutic Effects. Int Rev Cell Mol Biol. 2016;326:343-72. doi: 10.1016/bs.ircmb.2016.06.001. Epub 2016 Jul 20.@@Kole A, He J, Rivollier A, Silveira DD, Kitamura K, Maloy KJ, Kelsall BL: Type I IFNs regulate effector and regulatory T cell accumulation and anti-inflammatory cytokine production during T cell-mediated colitis. J Immunol. 2013 Sep 1;191(5):2771-9. doi: 10.4049/jimmunol.1301093. Epub 2013 Aug 2."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Anti-Infective Agents; Biological Factors; Intercellular Signaling Peptides and Proteins; Experimental Unapproved Treatments for COVID-19; Immunologic Factors; Peptides; Interferon Type I; Proteins; Interferons; Amino Acids, Peptides, and Proteins"														4381
DB15031	Daridorexant	BE0005865	HCRTR2	O43614	OX2R_HUMAN	antagonist	34415378	"Roch C, Bergamini G, Steiner MA, Clozel M: Nonclinical pharmacology of daridorexant: a new dual orexin receptor antagonist for the treatment of insomnia. Psychopharmacology (Berl). 2021 Oct;238(10):2693-2708. doi: 10.1007/s00213-021-05954-0. Epub 2021 Aug 20."	Approved			Orexin Receptor Antagonists; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Wakefulness-Promoting Agents; Cytochrome P-450 CYP3A4 Substrates	COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1											Daridorexant	CHEMBL4297590	2591497
DB15035	Zanubrutinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0000511	ERBB2	P04626	ERBB2_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0004772	ERBB4	Q15303	ERBB4_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0001341	ITK	Q08881	ITK_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0009385	TEC	P42680	TEC_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0009413	BLK	P51451	BLK_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0003493	JAK3	P52333	JAK3_HUMAN	inhibitor	31381333	"Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15035	Zanubrutinib	BE0004742	FRK	P42685	FRK_HUMAN	inhibitor	31381333	"Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15090	Tezepelumab	BE0010181	TSLP	Q969D9	TSLP_HUMAN	binder	28368013	"Verstraete K, Peelman F, Braun H, Lopez J, Van Rompaey D, Dansercoer A, Vandenberghe I, Pauwels K, Tavernier J, Lambrecht BN, Hammad H, De Winter H, Beyaert R, Lippens G, Savvides SN: Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma. Nat Commun. 2017 Apr 3;8:14937. doi: 10.1038/ncomms14937."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Thymic Stromal Lymphopoietin Blocker; Immunoproteins; Proteins; Drugs for Obstructive Airway Diseases; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23770						Tezepelumab		2587789
DB15091	Upadacitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	31692920; 30886973	"Biggioggero M, Becciolini A, Crotti C, Agape E, Favalli EG: Upadacitinib and filgotinib: the role of JAK1 selective inhibition in the treatment of rheumatoid arthritis. Drugs Context. 2019 Oct 24;8:212595. doi: 10.7573/dic.212595. eCollection 2019.@@Parmentier JM, Voss J, Graff C, Schwartz A, Argiriadi M, Friedman M, Camp HS, Padley RJ, George JS, Hyland D, Rosebraugh M, Wishart N, Olson L, Long AJ: In vitro and in vivo characterization of the JAK1 selectivity of upadacitinib (ABT-494). BMC Rheumatol. 2018 Aug 28;2:23. doi: 10.1186/s41927-018-0031-x. eCollection 2018."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Janus Kinase Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Disease-modifying Antirheumatic Agents; P-glycoprotein substrates; Janus Kinase Inhibitor; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Antirheumatic Agents"	CC[C@@H]1CN(C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12)C(=O)NCC(F)(F)F					23404						Upadacitinib	CHEMBL3622821	2196092
DB15093	Somapacitan	BE0000075	GHR	P10912	GHR_HUMAN	agonist	32053994	"Petersen M, Gandhi PS, Buchardt J, Alanentalo T, Fels JJ, Johansen NL, Helding-Kvist P, Vad K, Thygesen P: Tissue Distribution and Receptor Activation by Somapacitan, a Long Acting Growth Hormone Derivative. Int J Mol Sci. 2020 Feb 11;21(4). pii: ijms21041181. doi: 10.3390/ijms21041181."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Sugar Alcohols; Carbohydrates; Cytochrome P-450 CYP1A2 Inducers; Benzene Derivatives; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Phenols; Alcohols; Human Growth Hormone Analogs; Anterior Pituitary Lobe Hormones and Analogues; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Hormones; Growth Hormone; Amino Acids; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Lipids; Peptides; Peptide Hormones; Amino Acids, Cyclic; Amino Acids, Essential; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"						23866		D11194				Somapacitan		2557394
DB15097	Gefapixant	BE0009818	P2RX3	P56373	P2RX3_HUMAN	antagonist			Approved; Investigational			BCRP/ABCG2 Substrates; MATE 1 Substrates; MATE 2 Substrates; P-glycoprotein substrates; Sulfones; Sulfonamides; Cough and Cold Preparations; Sulfur Compounds; Amides; Benzene Derivatives; MATE substrates	COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O											Gefapixant	CHEMBL3716057	
DB15102	Pemigatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	32315352	"Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020."	Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors"	CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F					23643						Pemigatinib	CHEMBL4297522	2359268
DB15102	Pemigatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	32315352	"Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020."	Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors"	CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F					23643						Pemigatinib	CHEMBL4297522	2359268
DB15102	Pemigatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	32315352	"Liu PCC, Koblish H, Wu L, Bowman K, Diamond S, DiMatteo D, Zhang Y, Hansbury M, Rupar M, Wen X, Collier P, Feldman P, Klabe R, Burke KA, Soloviev M, Gardiner C, He X, Volgina A, Covington M, Ruggeri B, Wynn R, Burn TC, Scherle P, Yeleswaram S, Yao W, Huber R, Hollis G: INCB054828 (pemigatinib), a potent and selective inhibitor of fibroblast growth factor receptors 1, 2, and 3, displays activity against genetically defined tumor models. PLoS One. 2020 Apr 21;15(4):e0231877. doi: 10.1371/journal.pone.0231877. eCollection 2020."	Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP3A Substrates; Receptor, Fibroblast Growth Factor, Type 1, antagonists & inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; Oxazines; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Fibroblast Growth Factor 2, antagonists & inhibitors; MATE inhibitors; Receptors, Fibroblast Growth Factor, antagonists & inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Receptor, Fibroblast Growth Factor, Type 2, antagonists & inhibitors"	CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F					23643						Pemigatinib	CHEMBL4297522	2359268
DB15114	Vamorolone	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist			Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	UGT2B7 substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO											Vamorolone	CHEMBL2348780	2669799
DB15114	Vamorolone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	30745312	"Heier CR, Yu Q, Fiorillo AA, Tully CB, Tucker A, Mazala DA, Uaesoontrachoon K, Srinivassane S, Damsker JM, Hoffman EP, Nagaraju K, Spurney CF: Vamorolone targets dual nuclear receptors to treat inflammation and dystrophic cardiomyopathy. Life Sci Alliance. 2019 Feb 11;2(1):e201800186. doi: 10.26508/lsa.201800186. Print 2019 Feb."	Approved; Investigational	21-hydroxysteroids	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Hydroxysteroids	UGT2B7 substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Substrates; UGT2B17 substrates; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Steroids; Fused-Ring Compounds; Cytochrome P-450 CYP3A5 Substrates; Adrenal Cortex Hormones; UGT1A3 substrates; Cytochrome P-450 CYP3A4 Substrates; Corticosteroids; Cytochrome P-450 CYP3A Inducers; Pregnadienes; Pregnanes	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO											Vamorolone	CHEMBL2348780	2669799
DB15133	Tepotinib	BE0000915	MET	P08581	MET_HUMAN	inhibitor			Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Mesenchymal Epithelial Transition Inhibitors"	CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1					23595						C-Met_inhibitor	CHEMBL3402762	2477103
DB15133	Tepotinib	BE0003580	NISCH	Q9Y2I1	NISCH_HUMAN	inhibitor			Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Mesenchymal Epithelial Transition Inhibitors"	CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1					23595						C-Met_inhibitor	CHEMBL3402762	2477103
DB15133	Tepotinib	BE0000327	MTNR1B	P49286	MTR1B_HUMAN	inhibitor			Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strong); Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Proto-Oncogene Proteins c-met, antagonists & inhibitors; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; OCT1 inhibitors; Mesenchymal Epithelial Transition Inhibitors"	CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1					23595						C-Met_inhibitor	CHEMBL3402762	2477103
DB15149	Futibatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor	32973082	"Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24."	Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2								PA166293381			Futibatinib	CHEMBL3701238	2628190
DB15149	Futibatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor	32973082	"Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24."	Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2								PA166293381			Futibatinib	CHEMBL3701238	2628190
DB15149	Futibatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor	32973082	"Sootome H, Fujita H, Ito K, Ochiiwa H, Fujioka Y, Ito K, Miura A, Sagara T, Ito S, Ohsawa H, Otsuki S, Funabashi K, Yashiro M, Matsuo K, Yonekura K, Hirai H: Futibatinib Is a Novel Irreversible FGFR 1-4 Inhibitor That Shows Selective Antitumor Activity against FGFR-Deregulated Tumors. Cancer Res. 2020 Nov 15;80(22):4986-4997. doi: 10.1158/0008-5472.CAN-19-2568. Epub 2020 Sep 24."	Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2D6 Substrates; Fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2								PA166293381			Futibatinib	CHEMBL3701238	2628190
DB15163	Selatogrel	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	32056160	"Schilling U, Dingemanse J, Ufer M: Pharmacokinetics and Pharmacodynamics of Approved and Investigational P2Y12 Receptor Antagonists. Clin Pharmacokinet. 2020 May;59(5):545-566. doi: 10.1007/s40262-020-00864-4."	Investigational			Organophosphorus Compounds	CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C1=CC(=NC(=N1)C1=CC=CC=C1)N1CC[C@@H](C1)OC													
DB15164	Apadamtase alfa	BE0001043	VWF	P04275	VWF_HUMAN	cleavage			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Metalloendopeptidases; Peptide Hydrolases; Recombinant Proteins; ADAMTS Proteins; Hydrolases; Enzymes and Coenzymes; ADAM Proteins; Metalloproteases; Proteins; Extracellular Matrix Proteins; Amino Acids, Peptides, and Proteins; Enzymes"														2670285
DB15165	Avacincaptad pegol	BE0000855	C5	P01031	CO5_HUMAN	inhibitor			Approved; Investigational			"Complement Inactivator Proteins; Complement Inactivating Agents; Aptamers, Nucleotide"												Avacincaptad_pegol		2645108
DB15171	Tirzepatide	BE0010190	GIP	P09681	GIP_HUMAN	agonist	30473097	"Coskun T, Sloop KW, Loghin C, Alsina-Fernandez J, Urva S, Bokvist KB, Cui X, Briere DA, Cabrera O, Roell WC, Kuchibhotla U, Moyers JS, Benson CT, Gimeno RE, D'Alessio DA, Haupt A: LY3298176, a novel dual GIP and GLP-1 receptor agonist for the treatment of type 2 diabetes mellitus: From discovery to clinical proof of concept. Mol Metab. 2018 Dec;18:3-14. doi: 10.1016/j.molmet.2018.09.009. Epub 2018 Oct 3."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Gastrointestinal Hormones; Receptors, Gastrointestinal Hormone; Incretins; Receptors, G-Protein-Coupled; Amino Acids, Peptides, and Proteins; Blood Glucose Lowering Agents; Nerve Tissue Proteins; Proteins; Receptors, Peptide; Alimentary Tract and Metabolism; Hormones; Glucagon-Like Peptide Receptors; Membrane Proteins; Neuropeptides; Peptides; GLP-1 Agonists; Drugs Used in Diabetes; Glucose-dependent Insulinotropic Polypeptide Receptor Agonist; Peptide Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"						23805						Tirzepatide		2601723
DB15218	Pozelimab	BE0000855	C5	P01031	CO5_HUMAN	antibody			Approved; Investigational			"Immunoglobulins; Serum Globulins; Complement Inactivating Agents; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Pozelimab		2663938
DB15226	Dasiglucagon	BE0000527	GCGR	P47871	GLR_HUMAN	agonist	33934456	"Battelino T, Tehranchi R, Bailey T, Dovc K, Melgaard A, Yager Stone J, Woerner S, von dem Berge T, DiMeglio L, Danne T: Dasiglucagon, a next-generation ready-to-use glucagon analog, for treatment of severe hypoglycemia in children and adolescents with type 1 diabetes: Results of a phase 3, randomized controlled trial. Pediatr Diabetes. 2021 Aug;22(5):734-741. doi: 10.1111/pedi.13220. Epub 2021 Jun 9."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Peptide Hormones; Increased Glycogenolysis; Glucagon Receptor Agonists; Antihypertensive Agents; Peptides; Glycogenolytic Hormones; Hormones; Pancreatic Hormones; Proglucagon; Amino Acids, Peptides, and Proteins; Antihypoglycemic Agent; Hormones, Hormone Substitutes, and Hormone Antagonists"												Dasiglucagon		2535233
DB15233	Avapritinib	BE0000453	KIT	P10721	KIT_HUMAN	inhibitor	31117741	"Wu CP, Lusvarghi S, Wang JC, Hsiao SH, Huang YH, Hung TH, Ambudkar SV: Avapritinib: A Selective Inhibitor of KIT and PDGFRalpha that Reverses ABCB1 and ABCG2-Mediated Multidrug Resistance in Cancer Cell Lines. Mol Pharm. 2019 Jul 1;16(7):3040-3052. doi: 10.1021/acs.molpharmaceut.9b00274. Epub 2019 Jun 4."	Approved; Investigational			Bile Salt Export Pump Inhibitors; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; BSEP/ABCB11 Inhibitors	CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1											Avapritinib	CHEMBL4204794	2272107
DB15271	Crizanlizumab	BE0001159	SELP	P16109	LYAM3_HUMAN	inhibitor			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Blood and Blood Forming Organs; Immunoproteins; Antibodies, Monoclonal, Humanized; Immunoglobulin G; Proteins; Selectin Blocker; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Crizanlizumab		2262421
DB15303	Faricimab	BE0010028	ANGPT2	O15123	ANGP2_HUMAN	antagonist	27742718	"Regula JT, Lundh von Leithner P, Foxton R, Barathi VA, Cheung CM, Bo Tun SB, Wey YS, Iwata D, Dostalek M, Moelleken J, Stubenrauch KG, Nogoceke E, Widmer G, Strassburger P, Koss MJ, Klein C, Shima DT, Hartmann G: Targeting key angiogenic pathways with a bispecific CrossMAb optimized for neovascular eye diseases. EMBO Mol Med. 2016 Nov 2;8(11):1265-1288. doi: 10.15252/emmm.201505889. Print 2016 Nov."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Growth Substances; Immunoproteins; Angiogenesis Inhibitors; Antibodies, Monoclonal, Humanized; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Angiogenesis Modulating Agents; Proteins; Ocular Vascular Disorder Agents; Growth Inhibitors; Immunoglobulins; Antineovascularisation Agents; Ophthalmologicals; Blood Proteins; Sensory Organs"						23736						Faricimab		2591519
DB15327	Abivertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Investigational			"Acrylates; Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Acids, Acyclic; Amides; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors"	CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1												CHEMBL4297865	
DB15328	Ubrogepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN	antagonist	33749826	"Blumenfeld AM, Goadsby PJ, Dodick DW, Hutchinson S, Liu C, Finnegan M, Trugman JM, Szegedi A: Efficacy of ubrogepant based on prior exposure and response to triptans: A post hoc analysis. Headache. 2021 Mar;61(3):422-429. doi: 10.1111/head.14089. Epub 2021 Mar 22."	Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; Calcitonin Gene-Related Peptide (CGRP) Antagonists; UGT1A1 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2C9 Inhibitors (weak); Cytochrome P-450 CYP3A4 Substrates; Analgesics; Calcitonin Gene-Related Peptide Receptor Antagonists; OATP1B3 substrates; Antimigraine Preparations; Cytochrome P-450 CYP2C19 Inhibitors; Nervous System; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates	C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1					23801						Ubrogepant	CHEMBL2364638	2268216
DB15395	Elranatamab	BE0010202	CD3D	P20963	CD3Z_HUMAN	antibody			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Bispecific B-cell maturation antigen (BCMA)-directed CD3 T-cell engager; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23904						Elranatamab		2644880
DB15399	BMS-754807	BE0000858	IGF1R	P08069	IGF1R_HUMAN	inhibitor	19996272; 21875414	"Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499.@@King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930."	Investigational				C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1												CHEMBL575448	
DB15399	BMS-754807	BE0000033	INSR	P06213	INSR_HUMAN	inhibitor	19996272; 21875414	"Carboni JM, Wittman M, Yang Z, Lee F, Greer A, Hurlburt W, Hillerman S, Cao C, Cantor GH, Dell-John J, Chen C, Discenza L, Menard K, Li A, Trainor G, Vyas D, Kramer R, Attar RM, Gottardis MM: BMS-754807, a small molecule inhibitor of insulin-like growth factor-1R/IR. Mol Cancer Ther. 2009 Dec;8(12):3341-9. doi: 10.1158/1535-7163.MCT-09-0499.@@King ER, Wong KK: Insulin-like growth factor: current concepts and new developments in cancer therapy. Recent Pat Anticancer Drug Discov. 2012 Jan;7(1):14-30. doi: 10.2174/157489212798357930."	Investigational				C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1												CHEMBL575448	
DB15434	Mosunetuzumab	BE0000066	MS4A1	P11836	CD20_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Immunosuppressive Agents; Immunoglobulins; Immunotherapy; Myelosuppressive Agents; Cancer immunotherapy; Serum Globulins; Antibodies, Monoclonal, Humanized; CD3-directed Antibody Interactions; Proteins; Blood Proteins; CD20-directed Antibody Interactions; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"												Mosunetuzumab		2625122
DB15442	Trilaciclib	BE0002216	CDK4	P11802	CDK4_HUMAN	inhibitor	31504118; 33348420; 33004541; 33595690; 33123968	"Weiss JM, Csoszi T, Maglakelidze M, Hoyer RJ, Beck JT, Domine Gomez M, Lowczak A, Aljumaily R, Rocha Lima CM, Boccia RV, Hanna W, Nikolinakos P, Chiu VK, Owonikoko TK, Schuster SR, Hussein MA, Richards DA, Sawrycki P, Bulat I, Hamm JT, Hart LL, Adler S, Antal JM, Lai AY, Sorrentino JA, Yang Z, Malik RK, Morris SR, Roberts PJ, Dragnev KH: Myelopreservation with the CDK4/6 inhibitor trilaciclib in patients with small-cell lung cancer receiving first-line chemotherapy: a phase Ib/randomized phase II trial. Ann Oncol. 2019 Oct 1;30(10):1613-1621. doi: 10.1093/annonc/mdz278.@@Daniel D, Kuchava V, Bondarenko I, Ivashchuk O, Reddy S, Jaal J, Kudaba I, Hart L, Matitashvili A, Pritchett Y, Morris SR, Sorrentino JA, Antal JM, Goldschmidt J: Trilaciclib prior to chemotherapy and atezolizumab in patients with newly diagnosed extensive-stage small cell lung cancer: A multicentre, randomised, double-blind, placebo-controlled Phase II trial. Int J Cancer. 2020 Dec 21. doi: 10.1002/ijc.33453.@@Lai AY, Sorrentino JA, Dragnev KH, Weiss JM, Owonikoko TK, Rytlewski JA, Hood J, Yang Z, Malik RK, Strum JC, Roberts PJ: CDK4/6 inhibition enhances antitumor efficacy of chemotherapy and immune checkpoint inhibitor combinations in preclinical models and enhances T-cell activation in patients with SCLC receiving chemotherapy. J Immunother Cancer. 2020 Oct;8(2). pii: jitc-2020-000847. doi: 10.1136/jitc-2020-000847.@@Li C, Hart L, Owonikoko TK, Aljumaily R, Rocha Lima CM, Conkling PR, Webb RT, Jotte RM, Schuster S, Edenfield WJ, Smith DA, Sale M, Roberts PJ, Malik RK, Sorrentino JA: Trilaciclib dose selection: an integrated pharmacokinetic and pharmacodynamic analysis of preclinical data and Phase Ib/IIa studies in patients with extensive-stage small cell lung cancer. Cancer Chemother Pharmacol. 2021 Feb 17. pii: 10.1007/s00280-021-04239-9. doi: 10.1007/s00280-021-04239-9.@@Hart LL, Ferrarotto R, Andric ZG, Beck JT, Subramanian J, Radosavljevic DZ, Zaric B, Hanna WT, Aljumaily R, Owonikoko TK, Verhoeven D, Xiao J, Morris SR, Antal JM, Hussein MA: Myelopreservation with Trilaciclib in Patients Receiving Topotecan for Small Cell Lung Cancer: Results from a Randomized, Double-Blind, Placebo-Controlled Phase II Study. Adv Ther. 2021 Jan;38(1):350-365. doi: 10.1007/s12325-020-01538-0. Epub 2020 Oct 29."	Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1											CDK_inhibitor	CHEMBL3894860	2479690
DB15442	Trilaciclib	BE0002212	CDK6	Q00534	CDK6_HUMAN	inhibitor	31504118; 33348420; 33004541; 33595690; 33123968	"Weiss JM, Csoszi T, Maglakelidze M, Hoyer RJ, Beck JT, Domine Gomez M, Lowczak A, Aljumaily R, Rocha Lima CM, Boccia RV, Hanna W, Nikolinakos P, Chiu VK, Owonikoko TK, Schuster SR, Hussein MA, Richards DA, Sawrycki P, Bulat I, Hamm JT, Hart LL, Adler S, Antal JM, Lai AY, Sorrentino JA, Yang Z, Malik RK, Morris SR, Roberts PJ, Dragnev KH: Myelopreservation with the CDK4/6 inhibitor trilaciclib in patients with small-cell lung cancer receiving first-line chemotherapy: a phase Ib/randomized phase II trial. Ann Oncol. 2019 Oct 1;30(10):1613-1621. doi: 10.1093/annonc/mdz278.@@Daniel D, Kuchava V, Bondarenko I, Ivashchuk O, Reddy S, Jaal J, Kudaba I, Hart L, Matitashvili A, Pritchett Y, Morris SR, Sorrentino JA, Antal JM, Goldschmidt J: Trilaciclib prior to chemotherapy and atezolizumab in patients with newly diagnosed extensive-stage small cell lung cancer: A multicentre, randomised, double-blind, placebo-controlled Phase II trial. Int J Cancer. 2020 Dec 21. doi: 10.1002/ijc.33453.@@Lai AY, Sorrentino JA, Dragnev KH, Weiss JM, Owonikoko TK, Rytlewski JA, Hood J, Yang Z, Malik RK, Strum JC, Roberts PJ: CDK4/6 inhibition enhances antitumor efficacy of chemotherapy and immune checkpoint inhibitor combinations in preclinical models and enhances T-cell activation in patients with SCLC receiving chemotherapy. J Immunother Cancer. 2020 Oct;8(2). pii: jitc-2020-000847. doi: 10.1136/jitc-2020-000847.@@Li C, Hart L, Owonikoko TK, Aljumaily R, Rocha Lima CM, Conkling PR, Webb RT, Jotte RM, Schuster S, Edenfield WJ, Smith DA, Sale M, Roberts PJ, Malik RK, Sorrentino JA: Trilaciclib dose selection: an integrated pharmacokinetic and pharmacodynamic analysis of preclinical data and Phase Ib/IIa studies in patients with extensive-stage small cell lung cancer. Cancer Chemother Pharmacol. 2021 Feb 17. pii: 10.1007/s00280-021-04239-9. doi: 10.1007/s00280-021-04239-9.@@Hart LL, Ferrarotto R, Andric ZG, Beck JT, Subramanian J, Radosavljevic DZ, Zaric B, Hanna WT, Aljumaily R, Owonikoko TK, Verhoeven D, Xiao J, Morris SR, Antal JM, Hussein MA: Myelopreservation with Trilaciclib in Patients Receiving Topotecan for Small Cell Lung Cancer: Results from a Randomized, Double-Blind, Placebo-Controlled Phase II Study. Adv Ther. 2021 Jan;38(1):350-365. doi: 10.1007/s12325-020-01538-0. Epub 2020 Oct 29."	Approved; Investigational			"OCT2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cyclin-dependent Kinase 4 Inhibitors; MATE 2-K Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Detoxifying Agents for Antineoplastic Treatment; P-glycoprotein substrates; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); MATE inhibitors; MATE 2 Inhibitors; Cyclin-Dependent Kinases, antagonists & inhibitors; Cyclin-dependent Kinase 6 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1											CDK_inhibitor	CHEMBL3894860	2479690
DB15444	Elexacaftor	BE0001195	CFTR	P13569	CFTR_HUMAN	positive allosteric modulator			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cystic Fibrosis Transmembrane Conductance Regulator Correctors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	C[C@@H]1CN(C2=NC(=CC=C2C(=O)NS(=O)(=O)C2=CN(C)N=C2C)N2C=CC(OCC(C)(C)C(F)(F)F)=N2)C(C)(C)C1					23605						Elexacaftor	CHEMBL4298128	2256951
DB15456	Vericiguat	BE0010029	GUCY1B1	Q02153	GCYB1_HUMAN	stimulator	31853617	"Friebe A, Sandner P, Schmidtko A: cGMP: a unique 2nd messenger molecule - recent developments in cGMP research and development. Naunyn Schmiedebergs Arch Pharmacol. 2020 Feb;393(2):287-302. doi: 10.1007/s00210-019-01779-z. Epub 2019 Dec 18."	Approved; Investigational			"BCRP/ABCG2 Substrates; Hypotensive Agents; Vasodilators Used in Cardiac Diseases; Heterocyclic Compounds, Fused-Ring; UGT1A9 Substrates; Cardiac Therapy; Soluble Guanylate Cyclase Stimulator; UGT1A1 Substrates; Guanylate Cyclase Stimulators; Teratogens; P-glycoprotein substrates"	COC(=O)NC1=C(N)N=C(N=C1N)C1=NN(CC2=CC=CC=C2F)C2=C1C=C(F)C=N2					23829		D11051				Vericiguat	CHEMBL4066936	2475830
DB15489	Mexazolam	BE0008668	GABRA1	Q99928	GBRG3_HUMAN	ligand	26000220	"Fernandes H, Moreira R: Mexazolam: clinical efficacy and tolerability in the treatment of anxiety. Neurol Ther. 2014 Mar 29;3(1):1-14. doi: 10.1007/s40120-014-0016-7. eCollection 2014 Jun."	Experimental			"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics"	CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl											Mexazolam	CHEMBL1743261	
DB15489	Mexazolam	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator	23038269; 29950725	"Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4.@@Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27."	Experimental			"Benzazepines; Anti-Anxiety Agents; Heterocyclic Compounds, Fused-Ring; Central Nervous System Depressants; Benzodiazepines and benzodiazepine derivatives; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Nervous System; Cytochrome P-450 CYP3A4 Substrates; Psycholeptics"	CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl											Mexazolam	CHEMBL1743261	
DB15490	Zuranolone	BE0004797	GABRA1	Q9UN88	GBRT_HUMAN	positive allosteric modulator			Approved; Experimental			"Fused-Ring Compounds; Psychotropic Drugs; Central Nervous System Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Depression, Postpartum; Neuroactive Steroid Gamma-Aminobutyric Acid A Receptor Positive Modulator; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Substrates; Steroids; Antidepressive Agents; Pregnanes"	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@](C)(O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)C(=O)CN1C=C(C=N1)C#N											Zuranolone	CHEMBL4105630	2669905
DB15494	Edotreotide gallium Ga-68	BE0003528	SSTR2	P30874	SSR2_HUMAN	ligand			Approved			Diagnostic Radiopharmaceuticals; Gallium Radioisotopes; Tumour Detection; Radiopharmaceuticals	[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1													2199391
DB15498	BOS172722	BE0003791	TTK	P33981	TTK_HUMAN	inhibitor	30199249; 31575759	"Woodward HL, Innocenti P, Cheung KJ, Hayes A, Roberts J, Henley AT, Faisal A, Mak GW, Box G, Westwood IM, Cronin N, Carter M, Valenti M, De Haven Brandon A, O'Fee L, Saville H, Schmitt J, Burke R, Broccatelli F, van Montfort RLM, Raynaud FI, Eccles SA, Linardopoulos S, Blagg J, Hoelder S: Introduction of a Methyl Group Curbs Metabolism of Pyrido[3,4- d]pyrimidine Monopolar Spindle 1 (MPS1) Inhibitors and Enables the Discovery of the Phase 1 Clinical Candidate N(2)-(2-Ethoxy-4-(4-methyl-4 H-1,2,4-triazol-3-yl)phenyl)-6-methyl- N(8)-neopentylpyrido[3,4- d]pyrimidine-2,8-diamine (BOS172722). J Med Chem. 2018 Sep 27;61(18):8226-8240. doi: 10.1021/acs.jmedchem.8b00690. Epub 2018 Sep 10.@@Anderhub SJ, Mak GW, Gurden MD, Faisal A, Drosopoulos K, Walsh K, Woodward HL, Innocenti P, Westwood IM, Naud S, Hayes A, Theofani E, Filosto S, Saville H, Burke R, van Montfort RLM, Raynaud FI, Blagg J, Hoelder S, Eccles SA, Linardopoulos S: High Proliferation Rate and a Compromised Spindle Assembly Checkpoint Confers Sensitivity to the MPS1 Inhibitor BOS172722 in Triple-Negative Breast Cancers. Mol Cancer Ther. 2019 Oct;18(10):1696-1707. doi: 10.1158/1535-7163.MCT-18-1203."	Experimental				CCOC1=CC(=CC=C1NC1=NC=C2C=C(C)N=C(NCC(C)(C)C)C2=N1)C1=NN=CN1C												CHEMBL3924132	
DB15534	Colchiceine	BE0000143	TUBB	P07437	TBB5_HUMAN	binder	2322310	"Hastie SB, Macdonald TL: Binding of colchiceine to tubulin. Mechanisms of ligand association with tubulin. Biochem Pharmacol. 1990 Apr 15;39(8):1271-6. doi: 10.1016/0006-2952(90)90002-3."	Approved; Experimental			Tubulin Inhibiting Agent; Colchicine Derivatives; Alkaloids	COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C23)=C1												CHEMBL323668	2174385
DB15534	Colchiceine	BE0001340	TUBA1A	Q71U36	TBA1A_HUMAN	binder	2322310	"Hastie SB, Macdonald TL: Binding of colchiceine to tubulin. Mechanisms of ligand association with tubulin. Biochem Pharmacol. 1990 Apr 15;39(8):1271-6. doi: 10.1016/0006-2952(90)90002-3."	Approved; Experimental			Tubulin Inhibiting Agent; Colchicine Derivatives; Alkaloids	COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C23)=C1												CHEMBL323668	2174385
DB15565	Cilazaprilat	BE0000221	ACE	P12821	ACE_HUMAN		10205231; 10398211; 10446934; 1382157; 1382161; 18423812; 11752352	"Yoshiyama M, Takeuchi K, Omura T, Kim S, Yamagishi H, Toda I, Teragaki M, Akioka K, Iwao H, Yoshikawa J: Effects of candesartan and cilazapril on rats with myocardial infarction assessed by echocardiography. Hypertension. 1999 Apr;33(4):961-8.@@Kihara M, Mitsui MK, Mitsui Y, Okuda K, Nakasaka Y, Takahashi M, Schmelzer JD: Altered vasoreactivity to angiotensin II in experimental diabetic neuropathy: role of nitric oxide. Muscle Nerve. 1999 Jul;22(7):920-5.@@Mervaala E, Dehmel B, Gross V, Lippoldt A, Bohlender J, Milia AF, Ganten D, Luft FC: Angiotensin-converting enzyme inhibition and AT1 receptor blockade modify the pressure-natriuresis relationship by additive mechanisms in rats with human renin and angiotensinogen genes. J Am Soc Nephrol. 1999 Aug;10(8):1669-80.@@Rosendorff C, Patton J, Radford HM, Kalliatakis B: Alpha-adrenergic and angiotensin II pressor sensitivity in hypertensive patients treated with an angiotensin-converting enzyme inhibitor. J Cardiovasc Pharmacol. 1992;19 Suppl 6:S105-9.@@Hannedouche T, Ikeni A, Marques LP, Natov S, Dechaux M, Schmitt F, Lacour B, Grunfeld JP: Renal effects of angiotensin II in normotensive subjects on short-term cilazapril treatment. J Cardiovasc Pharmacol. 1992;19 Suppl 6:S25-7.@@Tylicki L, Rutkowski P, Renke M, Larczynski W, Aleksandrowicz E, Lysiak-Szydlowska W, Rutkowski B: Triple pharmacological blockade of the renin-angiotensin-aldosterone system in nondiabetic CKD: an open-label crossover randomized controlled trial. Am J Kidney Dis. 2008 Sep;52(3):486-93. doi: 10.1053/j.ajkd.2008.02.297. Epub 2008 Apr 18.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental	Dipeptides	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	Agents Acting on the Renin-Angiotensin System; Protease Inhibitors; Cardiovascular Agents; Pyridazines; Enzyme Inhibitors; Antihypertensive Agents; Angiotensin-Converting Enzyme Inhibitors	OC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O											Cilazapril	CHEMBL2104578	
DB15566	Prednisolone acetate	BE0000794	NR3C1	P04150	GCR_HUMAN	agonist	19482847; 2879901	"Ikonomidis I, Tzortzis S, Lekakis J, Paraskevaidis I, Andreadou I, Nikolaou M, Kaplanoglou T, Katsimbri P, Skarantavos G, Soucacos P, Kremastinos DT: Lowering interleukin-1 activity with anakinra improves myocardial deformation in rheumatoid arthritis. Heart. 2009 Sep;95(18):1502-7. doi: 10.1136/hrt.2009.168971. Epub 2009 May 28.@@Boudinot FD, D'Ambrosio R, Jusko WJ: Receptor-mediated pharmacodynamics of prednisolone in the rat. J Pharmacokinet Biopharm. 1986 Oct;14(5):469-93."	Approved; Vet_approved	"Gluco/mineralocorticoids, progestogins and derivatives"	Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids	Fused-Ring Compounds; Cytochrome P-450 Enzyme Inducers; Corticosteroids; Steroids; Adrenal Cortex Hormones; Cytochrome P-450 Substrates; Anti-Inflammatory Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Prodrugs; Cytochrome P-450 CYP3A4 Inducers; Pregnadienes; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Pregnadienetriols; Pregnanes	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C					7617						Prednisolone_acetate	CHEMBL1152	
DB15568	Adagrasib	BE0004071	KRAS	P01116	RASK_HUMAN	inhibitor	31658955	"Christensen JG, Hallin J, Engstrom LD, Hargis L, Calinisan A, Aranda R, Briere DM, Sudhakar N, Bowcut V, Baer BR, Ballard JA, Burkard MR, Fell JB, Fischer JP, Vigers GP, Xue JY, Gatto S, Fernandez-Banet J, Pavlicek A, Velastegui K, Chao RC, Barton J, Pierobon M, Baldelli E, Patricoin EF, Cassidy DP, Marx MA, Rybkin II, Johnson ML, Ou SI, Lito P, Papadopoulos KP, Janne PA, Olson P: The KRASG12C Inhibitor, MRTX849, Provides Insight Toward Therapeutic Susceptibility of KRAS Mutant Cancers in Mouse Models and Patients. Cancer Discov. 2019 Oct 28. pii: 2159-8290.CD-19-1167. doi: 10.1158/2159-8290.CD-19-1167."	Approved; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C8 Substrates; RAS GTPase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Nitriles; Immune Checkpoint Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents, Immunological; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP1A2 Substrates"	[H][C@@]1(COC2=NC3=C(CCN(C3)C3=CC=CC4=C3C(Cl)=CC=C4)C(=N2)N2CCN(C(=O)C(F)=C)[C@@]([H])(CC#N)C2)CCCN1C											Adagrasib	CHEMBL4594350	2625882
DB15569	Sotorasib	BE0004071	KRAS	P01116	RASK_HUMAN	inhibitor	31189530; 23313110; 31666701; 31776128; 31820981; 33283304; 33824136	"Authors unspecified: AMG 510 First to Inhibit ""Undruggable"" KRAS. Cancer Discov. 2019 Aug;9(8):988-989. doi: 10.1158/2159-8290.CD-NB2019-073. Epub 2019 Jun 12.@@Fiala O, Pesek M, Finek J, Benesova L, Belsanova B, Minarik M: The dominant role of G12C over other KRAS mutation types in the negative prediction of efficacy of epidermal growth factor receptor tyrosine kinase inhibitors in non-small cell lung cancer. Cancer Genet. 2013 Jan-Feb;206(1-2):26-31. doi: 10.1016/j.cancergen.2012.12.003. Epub 2013 Jan 10.@@Canon J, Rex K, Saiki AY, Mohr C, Cooke K, Bagal D, Gaida K, Holt T, Knutson CG, Koppada N, Lanman BA, Werner J, Rapaport AS, San Miguel T, Ortiz R, Osgood T, Sun JR, Zhu X, McCarter JD, Volak LP, Houk BE, Fakih MG, O'Neil BH, Price TJ, Falchook GS, Desai J, Kuo J, Govindan R, Hong DS, Ouyang W, Henary H, Arvedson T, Cee VJ, Lipford JR: The clinical KRAS(G12C) inhibitor AMG 510 drives anti-tumour immunity. Nature. 2019 Oct 30. pii: 10.1038/s41586-019-1694-1. doi: 10.1038/s41586-019-1694-1.@@Ryan MB, Fece de la Cruz F, Phat S, Myers DT, Wong E, Shahzade HA, Hong CB, Corcoran RB: Vertical Pathway Inhibition Overcomes Adaptive Feedback Resistance to KRAS(G12C) Inhibition. Clin Cancer Res. 2020 Apr 1;26(7):1633-1643. doi: 10.1158/1078-0432.CCR-19-3523. Epub 2019 Nov 27.@@Lanman BA, Allen JR, Allen JG, Amegadzie AK, Ashton KS, Booker SK, Chen JJ, Chen N, Frohn MJ, Goodman G, Kopecky DJ, Liu L, Lopez P, Low JD, Ma V, Minatti AE, Nguyen TT, Nishimura N, Pickrell AJ, Reed AB, Shin Y, Siegmund AC, Tamayo NA, Tegley CM, Walton MC, Wang HL, Wurz RP, Xue M, Yang KC, Achanta P, Bartberger MD, Canon J, Hollis LS, McCarter JD, Mohr C, Rex K, Saiki AY, San Miguel T, Volak LP, Wang KH, Whittington DA, Zech SG, Lipford JR, Cee VJ: Discovery of a Covalent Inhibitor of KRAS(G12C) (AMG 510) for the Treatment of Solid Tumors. J Med Chem. 2020 Jan 9;63(1):52-65. doi: 10.1021/acs.jmedchem.9b01180. Epub 2019 Dec 24.@@Madhyastha N, Samantha SK, Dittakavi S, Markose M, Mallurwar SR, Zainuddin M, Mullangi R: Validated HPLC-MS/MS method for quantitation of AMG 510, a KRAS G12C inhibitor, in mouse plasma and its application to a pharmacokinetic study in mice. Biomed Chromatogr. 2021 Apr;35(4):e5043. doi: 10.1002/bmc.5043. Epub 2021 Jan 19.@@Tanaka N, Lin JJ, Li C, Ryan MB, Zhang J, Kiedrowski LA, Michel AG, Syed MU, Fella KA, Sakhi M, Baiev I, Juric D, Gainor JF, Klempner SJ, Lennerz JK, Siravegna G, Bar-Peled L, Hata AN, Heist RS, Corcoran RB: Clinical acquired resistance to KRASG12C inhibition through a novel KRAS switch-II pocket mutation and polyclonal alterations converging on RAS-MAPK reactivation. Cancer Discov. 2021 Apr 6. pii: 2159-8290.CD-21-0365. doi: 10.1158/2159-8290.CD-21-0365."	Approved; Investigational			"Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; P-glycoprotein inhibitors; RAS GTPase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers; Immune Checkpoint Inhibitors; Antineoplastic Agents, Immunological; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers"	CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=CC(F)=C(N=C12)C1=C(O)C=CC=C1F					23653		D12055				Sotorasib	CHEMBL4535757	2550714
DB15588	Ursolic acid	BE0000394	ELANE	P08246	ELNE_HUMAN	inhibitor	12391559	"Mitaine-Offer AC, Hornebeck W, Sauvain M, Zeches-Hanrot M: Triterpenes and phytosterols as human leucocyte elastase inhibitors. Planta Med. 2002 Oct;68(10):930-2. doi: 10.1055/s-2002-34929."	Experimental			"Pentacyclic Triterpenes; Sapogenins; Anti-Infective Agents; Cyclooxygenase Inhibitors; Sensory System Agents; Anti-Inflammatory Agents, Non-Steroidal; Enzyme Inhibitors; Anti-Inflammatory Agents; Triterpenes; Analgesics, Non-Narcotic; Antineoplastic Agents, Phytogenic; Antirheumatic Agents; Peripheral Nervous System Agents; Analgesics; Antineoplastic Agents; Terpenes"	[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O											Ursolic_acid	CHEMBL169	1426931
DB15593	Golodirsen	BE0009794	DMD	P11532	DMD_HUMAN	inducer	29301272; 24554202; 30171533; 31576784	"Aslesh T, Maruyama R, Yokota T: Skipping Multiple Exons to Treat DMD-Promises and Challenges. Biomedicines. 2018 Jan 2;6(1). pii: biomedicines6010001. doi: 10.3390/biomedicines6010001.@@Kinter J, Sinnreich M: Molecular targets to treat muscular dystrophies. Swiss Med Wkly. 2014 Feb 19;144:w13916. doi: 10.4414/smw.2014.13916.@@Rodrigues M, Yokota T: An Overview of Recent Advances and Clinical Applications of Exon Skipping and Splice Modulation for Muscular Dystrophy and Various Genetic Diseases. Methods Mol Biol. 2018;1828:31-55. doi: 10.1007/978-1-4939-8651-4_2.@@Hwang J, Yokota T: Recent advancements in exon-skipping therapies using antisense oligonucleotides and genome editing for the treatment of various muscular dystrophies. Expert Rev Mol Med. 2019 Oct 2;21:e5. doi: 10.1017/erm.2019.5."	Approved			"Musculo-Skeletal System; Polynucleotides; Nucleic Acids; Oligonucleotides; Drugs that are Mainly Renally Excreted; Nucleic Acid Probes; Nucleic Acids, Nucleotides, and Nucleosides; Antisense Oligonucleotides; Nucleotides; Antisense Elements (Genetics); Molecular Probes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"												Golodirsen		2267207
DB15598	Ferric maltol	BE0008685	SLC11A2	P49281	NRAM2_HUMAN	substrate	26595432	"Stallmach A, Buning C: Ferric maltol (ST10): a novel oral iron supplement for the treatment of iron deficiency anemia in inflammatory bowel disease. Expert Opin Pharmacother. 2015;16(18):2859-67. doi: 10.1517/14656566.2015.1096929. Epub 2015 Nov 23."	Approved			"Organometallic Compounds; Antianemic Preparations; Parenteral Iron Replacement; UGT1A6 substrate; Blood and Blood Forming Organs; Hematinics; Iron Compounds; Hematologic Agents; Iron Preparations; Pyrans; Iron Trivalent, Oral Preparations"	[Fe+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1											Ferric_maltol		2539932
DB15617	Ferric derisomaltose	BE0004850	TFRC	Q9UP52	TFR2_HUMAN	binder	24310424	"Geisser P, Burckhardt S: The pharmacokinetics and pharmacodynamics of iron preparations. Pharmaceutics. 2011 Jan 4;3(1):12-33. doi: 10.3390/pharmaceutics3010012."	Approved			"Antianemia Drugs; Antianemic Preparations; Parenteral Iron Replacement; Iron Compounds; Carbohydrates; Oligosaccharides; Polysaccharides; Iron Preparations; Anemia, Iron-Deficiency"	[Fe+3].OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O					309						Ferric_derisomaltose		2274394
DB15624	Halicin	BE0009865	MAPK10	P45984	MK09_HUMAN	inhibitor	24838066; 25423094; 26491845	"Augustine C, Cepinskas G, Fraser DD: Traumatic injury elicits JNK-mediated human astrocyte retraction in vitro. Neuroscience. 2014 Aug 22;274:1-10. doi: 10.1016/j.neuroscience.2014.05.009. Epub 2014 May 15.@@Jang S, Javadov S: Inhibition of JNK aggravates the recovery of rat hearts after global ischemia: the role of mitochondrial JNK. PLoS One. 2014 Nov 25;9(11):e113526. doi: 10.1371/journal.pone.0113526. eCollection 2014.@@Jang S, Yu LR, Abdelmegeed MA, Gao Y, Banerjee A, Song BJ: Critical role of c-jun N-terminal protein kinase in promoting mitochondrial dysfunction and acute liver injury. Redox Biol. 2015 Dec;6:552-564. doi: 10.1016/j.redox.2015.09.040. Epub 2015 Oct 9."	Experimental			Sulfur Compounds; Thiazoles	NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1											Halicin	CHEMBL510038	
DB15626	Spesolimab	BE0010198	IL1RL2	Q9HB29	ILRL2_HUMAN	antagonist			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Interleukin-36 Receptor Antagonist; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin Inhibitors"						23827						Spesolimab		2610417
DB15628	Inolimomab	BE0000658	IL2RA	P01589	IL2RA_HUMAN	antibody			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunosuppression; Immunosuppressive Agents; Immunoglobulins; Receptors, Interleukin-2; Serum Globulins; Immunologic Factors; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Inolimomab		
DB15635	Omburtamab	BE0010140	CD276	Q5ZPR3	CD276_HUMAN	binder	26487718	"Ahmed M, Cheng M, Zhao Q, Goldgur Y, Cheal SM, Guo HF, Larson SM, Cheung NK: Humanized Affinity-matured Monoclonal Antibody 8H9 Has Potent Antitumor Activity and Binds to FG Loop of Tumor Antigen B7-H3. J Biol Chem. 2015 Dec 11;290(50):30018-29. doi: 10.1074/jbc.M115.679852. Epub 2015 Oct 20."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB15636	Zilucoplan	BE0000855	C5	P01031	CO5_HUMAN	inhibitor	32736596	"Wilkinson T, Dixon R, Page C, Carroll M, Griffiths G, Ho LP, De Soyza A, Felton T, Lewis KE, Phekoo K, Chalmers JD, Gordon A, McGarvey L, Doherty J, Read RC, Shankar-Hari M, Martinez-Alier N, O'Kelly M, Duncan G, Walles R, Sykes J, Summers C, Singh D: ACCORD: A Multicentre, Seamless, Phase 2 Adaptive Randomisation Platform Study to Assess the Efficacy and Safety of Multiple Candidate Agents for the Treatment of COVID-19 in Hospitalised Patients: A structured summary of a study protocol for a randomised controlled trial. Trials. 2020 Jul 31;21(1):691. doi: 10.1186/s13063-020-04584-9."	Approved			"Immunoproteins; Peptides; Complement Inactivating Agents; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"	CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O											Zilucoplan		2672489
DB15643	N-(2-Aminoethyl)-1-aziridineethanamine	BE0000982	ACE2	Q9BYF1	ACE2_HUMAN	inhibitor	15492138	"Huentelman MJ, Zubcevic J, Hernandez Prada JA, Xiao X, Dimitrov DS, Raizada MK, Ostrov DA: Structure-based discovery of a novel angiotensin-converting enzyme 2 inhibitor. Hypertension. 2004 Dec;44(6):903-6. doi: 10.1161/01.HYP.0000146120.29648.36. Epub 2004 Oct 18."	Experimental			ACE Inhibitors and Diuretics; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Angiotensin-Converting Enzyme Inhibitors	NCCNCCN1CC1												CHEMBL398940	
DB15669	Fezolinetant	BE0002371	TACR3	P29371	NK3R_HUMAN	antagonist	33724119	"Depypere H, Lademacher C, Siddiqui E, Fraser GL: Fezolinetant in the treatment of vasomotor symptoms associated with menopause. Expert Opin Investig Drugs. 2021 Jul;30(7):681-694. doi: 10.1080/13543784.2021.1893305. Epub 2021 Jul 12."	Approved; Investigational	4-halobenzoic acids and derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives	"Neurokinin 3 Receptor Antagonist; Heterocyclic Compounds, Fused-Ring; Thiazoles; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 Substrates; Sulfur Compounds; Genito Urinary System and Sex Hormones; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C19 Substrates"	C[C@H]1N(CCN2C1=NN=C2C1=NC(C)=NS1)C(=O)C1=CC=C(F)C=C1											Fezolinetant	CHEMBL3608680	2637134
DB15685	Selpercatinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	31988000	"Solomon BJ, Tan L, Lin JJ, Wong SQ, Hollizeck S, Ebata K, Tuch BB, Yoda S, Gainor JF, Sequist LV, Oxnard GR, Gautschi O, Drilon A, Subbiah V, Khoo C, Zhu EY, Nguyen M, Henry D, Condroski KR, Kolakowski GR, Gomez E, Ballard J, Metcalf AT, Blake JF, Dawson SJ, Blosser W, Stancato LF, Brandhuber BJ, Andrews S, Robinson BG, Rothenberg SM: RET Solvent Front Mutations Mediate Acquired Resistance to Selective RET Inhibition in RET-Driven Malignancies. J Thorac Oncol. 2020 Apr;15(4):541-549. doi: 10.1016/j.jtho.2020.01.006. Epub 2020 Jan 24."	Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15685	Selpercatinib	BE0000029	FLT1	P17948	VGFR1_HUMAN	inhibitor			Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15685	Selpercatinib	BE0000023	FLT4	P35916	VGFR3_HUMAN	inhibitor			Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15685	Selpercatinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor			Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15685	Selpercatinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor			Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15685	Selpercatinib	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor			Approved; Investigational			QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Hepatotoxic Agents; MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Tyrosine Kinase Inhibitors; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents	COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1					23604						Selpercatinib	CHEMBL4559134	2370147
DB15688	Zavegepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN	antagonist	33096162; 35774914	"Mercer SE, Chaturvedula PV, Conway CM, Cook DA, Davis CD, Pin SS, Macci R, Schartman R, Signor LJ, Widmann KA, Whiterock VJ, Chen P, Xu C, Herbst JJ, Kostich WA, Thalody G, Macor JE, Dubowchik GM: Azepino-indazoles as calcitonin gene-related peptide (CGRP) receptor antagonists. Bioorg Med Chem Lett. 2021 Jan 1;31:127624. doi: 10.1016/j.bmcl.2020.127624. Epub 2020 Oct 21.@@Noor N, Angelette A, Lawson A, Patel A, Urits I, Viswanath O, Yazdi C, Kaye AD: A Comprehensive Review of Zavegepant as Abortive Treatment for Migraine. Health Psychol Res. 2022 Jun 28;10(3):35506. doi: 10.52965/001c.35506. eCollection 2022."	Approved; Investigational			"MATE 1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Calcitonin Gene-Related Peptide Receptor Antagonists; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Antimigraine Preparations; OATP1B3 substrates; Pyrazoles; Cytochrome P-450 CYP3A Substrates; Receptors, Calcitonin Gene-Related Peptide, antagonists & inhibitors; Calcitonin Gene-Related Peptide (CGRP) Antagonists; MATE substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Quinolines; Nasal Preparations"	CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2											Zavegepant	CHEMBL2397415	2637955
DB15690	Fluoroestradiol F-18	BE0000123	ESR1	P03372	ESR1_HUMAN	binder			Approved			"Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Estrogens; Fluorine Radioisotopes; Estranes; Radioactive Diagnostic Agent; Estradiol Congeners; Positron Emitting Activity; Estrogens, agonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3											Fluoroestradiol_F-18		2372221
DB15690	Fluoroestradiol F-18	BE0000792	ESR2	Q92731	ESR2_HUMAN	binder			Approved			"Fused-Ring Compounds; Steroids; Gonadal Steroid Hormones; Gonadal Hormones; Estrogens; Fluorine Radioisotopes; Estranes; Radioactive Diagnostic Agent; Estradiol Congeners; Positron Emitting Activity; Estrogens, agonists; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists"	[H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3											Fluoroestradiol_F-18		2372221
DB15694	Cedazuridine	BE0002443	CDA	P32320	CDD_HUMAN	inhibitor	24520856	"Ferraris D, Duvall B, Delahanty G, Mistry B, Alt J, Rojas C, Rowbottom C, Sanders K, Schuck E, Huang KC, Redkar S, Slusher BB, Tsukamoto T: Design, synthesis, and pharmacological evaluation of fluorinated tetrahydrouridine derivatives as inhibitors of cytidine deaminase. J Med Chem. 2014 Mar 27;57(6):2582-8. doi: 10.1021/jm401856k. Epub 2014 Feb 24."	Approved; Investigational			"Ribonucleosides; Cytidine Deaminase, antagonists & inhibitors; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides"	OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O					23480						Decitabine/cedazuridine	CHEMBL3237547	2384449
DB15762	Satralizumab	BE0002859	IL6R	P08887	IL6RA_HUMAN	binder			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins; Interleukin-6 Receptor Antagonist; Interleukin Inhibitors"						23467						Satralizumab		2391551
DB15769	Envafolimab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Immune Checkpoint Inhibitors; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"														
DB15770	Cosibelimab	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Immune Checkpoint Inhibitors														
DB15771	AUNP-12	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Immune Checkpoint Inhibitors														
DB15772	CA-170	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor			Investigational			Immune Checkpoint Inhibitors														
DB15773	anti-OX40 antibody BMS 986178	BE0003441	CD274	Q9NZQ7	PD1L1_HUMAN	inhibitor			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Immune Checkpoint Inhibitors														
DB15791	MK-0668	BE0010014	ITGA4	P05556	ITB1_HUMAN		19441819	"Lin LS, Lanza T, Jewell JP, Liu P, Jones C, Kieczykowski GR, Treonze K, Si Q, Manior S, Koo G, Tong X, Wang J, Schuelke A, Pivnichny J, Wang R, Raab C, Vincent S, Davies P, Maccoss M, Mumford RA, Hagmann WK: Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)-prolyl}-4-[(3',5'-dichlor oisonicotinoyl) amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4. J Med Chem. 2009 Jun 11;52(11):3449-52. doi: 10.1021/jm900257b."	Experimental			"Amino Acids; Amino Acids, Cyclic; Pyridines; Nicotinic Acids; Amino Acids, Peptides, and Proteins; Amino Acids, Aromatic"	OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C1=CC=CC(=C1)C#N)NC1CCC1												CHEMBL506044	
DB15822	Pralsetinib	BE0002411	RET	P07949	RET_HUMAN	inhibitor	29657135	"Subbiah V, Gainor JF, Rahal R, Brubaker JD, Kim JL, Maynard M, Hu W, Cao Q, Sheets MP, Wilson D, Wilson KJ, DiPietro L, Fleming P, Palmer M, Hu MI, Wirth L, Brose MS, Ou SI, Taylor M, Garralda E, Miller S, Wolf B, Lengauer C, Guzi T, Evans EK: Precision Targeted Therapy with BLU-667 for RET-Driven Cancers. Cancer Discov. 2018 Jul;8(7):836-849. doi: 10.1158/2159-8290.CD-18-0338. Epub 2018 Apr 15."	Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0001124	DDR1	Q08345	DDR1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0000147	FLT3	P36888	FLT3_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0002408	JAK2	O60674	JAK2_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0000369	KDR	P35968	VGFR2_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0002131	FGFR1	P11362	FGFR1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15822	Pralsetinib	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB15873	Copper oxodotreotide Cu-64	BE0003528	SSTR2	P30874	SSR2_HUMAN	binder			Approved			"Peptides, Cyclic; Radiopharmaceuticals; Peptides; Copper Radioisotopes; Positron Emitting Activity; Amino Acids, Peptides, and Proteins; Radioactive Diagnostic Agent"	[64Cu++].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O													2396442
DB15935	Lumasiran	BE0003766	HAO1	Q9UJM8	HAOX1_HUMAN	antisense oligonucleotide	32207686	"McGregor TL, Hunt KA, Yee E, Mason D, Nioi P, Ticau S, Pelosi M, Loken PR, Finer S, Lawlor DA, Fauman EB, Huang QQ, Griffiths CJ, MacArthur DG, Trembath RC, Oglesbee D, Lieske JC, Erbe DV, Wright J, van Heel DA: Characterising a healthy adult with a rare HAO1 knockout to support a therapeutic strategy for primary hyperoxaluria. Elife. 2020 Mar 24;9. pii: 54363. doi: 10.7554/eLife.54363."	Approved; Investigational			"Cytochrome P-450 CYP2C8 Inhibitors; RNA, Antisense; RNA, Untranslated; Renal Agents; RNA, Small Untranslated; Cytochrome P-450 Enzyme Inhibitors; HAO1-directed Small Interfering Ribonucleic Acid (siRNA); Nucleic Acids; Cytochrome P-450 CYP2C8 Inhibitors (weak); Small Interfering RNA; Nucleic Acids, Nucleotides, and Nucleosides; Various Alimentary Tract and Metabolism Products; Genitourinary Agents; Antisense Elements (Genetics); Alimentary Tract and Metabolism"												Lumasiran		2467140
DB15982	Berotralstat	BE0002440	KLKB1	P03952	KLKB1_HUMAN	inhibitor	31635497; 30044938	"Hwang JR, Hwang G, Johri A, Craig T: Oral plasma kallikrein inhibitor BCX7353 for treatment of hereditary angioedema. Immunotherapy. 2019 Dec;11(17):1439-1444. doi: 10.2217/imt-2019-0128. Epub 2019 Oct 22.@@Aygoren-Pursun E, Bygum A, Grivcheva-Panovska V, Magerl M, Graff J, Steiner UC, Fain O, Huissoon A, Kinaciyan T, Farkas H, Lleonart R, Longhurst HJ, Rae W, Triggiani M, Aberer W, Cancian M, Zanichelli A, Smith WB, Baeza ML, Du-Thanh A, Gompels M, Gonzalez-Quevedo T, Greve J, Guilarte M, Katelaris C, Dobo S, Cornpropst M, Clemons D, Fang L, Collis P, Sheridan W, Maurer M, Cicardi M: Oral Plasma Kallikrein Inhibitor for Prophylaxis in Hereditary Angioedema. N Engl J Med. 2018 Jul 26;379(4):352-362. doi: 10.1056/NEJMoa1716995."	Approved			"Protease Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Kallikrein Inhibitors; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Drugs Used in Hereditary Angioedema; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; BCRP/ABCG2 Substrates; P-glycoprotein inhibitors; Blood and Blood Forming Organs; Plasma Kallikrein Inhibitor; Serine Protease Inhibitors; Kallikreins, antagonists & inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Moderate Risk QTc-Prolonging Agents"	NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F					23739						Berotralstat		2467540
DB16007	Rurioctocog alfa pegol	BE0001043	VWF	P04275	VWF_HUMAN	binder			Approved; Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins"												Factor_VIII_(medication)		
DB16007	Rurioctocog alfa pegol	BE0000016	F8	P00451	FA8_HUMAN	regulator	33150384	"Klamroth R, Windyga J, Radulescu V, Collins PW, Stasyshyn O, Ibrahim HM, Engl W, Tangada SD, Savage W, Ewenstein B: Rurioctocog alfa pegol PK-guided prophylaxis in hemophilia A: results from the phase 3 PROPEL study. Blood. 2021 Apr 1;137(13):1818-1827. doi: 10.1182/blood.2020005673."	Approved; Experimental	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Coagulants; Factor VIII; Hemostatics; Hematologic Agents; Proteins; Blood Coagulation Factors; Protein Precursors; Blood Proteins; Pegylated agents; Amino Acids, Peptides, and Proteins"												Factor_VIII_(medication)		
DB16019	Gallium Ga-68 gozetotide	BE0008983	KLK3	P07288	KLK3_HUMAN	binder			Approved			"Indicators and Reagents; Diagnostic Uses of Chemicals; Diagnostic Radiopharmaceuticals; Gallium; Gallium Radioisotopes; Metals; Radioisotopes; Gallium Isotopes; Elements; Tumour Detection; Radiopharmaceuticals; Positron Emitting Activity; Radioactive Diagnostic Agent; Metals, Heavy; Isotopes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"	[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC(CN(CCN(CC([O-])=O)CC2=C(O)C=CC(CCC([O-])=O)=C2)CC([O-])=O)=C(O)C=C1)C(O)=O)C(O)=O					23790								2586016
DB16098	Atogepant	BE0009009	CALCRL	Q16602	CALRL_HUMAN	antagonist			Approved; Investigational			BCRP/ABCG2 Substrates; OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; Calcitonin Gene-Related Peptide Receptor Antagonists; Cytochrome P-450 Substrates; OATP1B3 substrates; Antimigraine Preparations; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; MATE inhibitors; OATP1B1/SLCO1B1 Substrates; Nervous System; Calcitonin Gene-Related Peptide (CGRP) Antagonists; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Analgesics; MATE 1 Inhibitors	C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F					23812						Atogepant	CHEMBL3991065	2571813
DB16099	Avalglucosidase alfa	BE0003623	IGF2R	P11717	MPRI_HUMAN	ligand			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Hydrolytic Lysosomal Glycogen-specific Enzyme; Enzyme Replacement Therapy; Enzymes and Coenzymes; Alimentary Tract and Metabolism; Enzymes						23680						Avalglucosidase_alfa		2565814
DB16165	Finerenone	BE0000668	NR3C2	P08235	MCR_HUMAN	antagonist	34233330	"Trujillo H, Caravaca-Fontan F, Caro J, Morales E, Praga M: The Forgotten Antiproteinuric Properties of Diuretics. Am J Nephrol. 2021 Jul 7:1-15. doi: 10.1159/000517020."	Approved; Investigational			"Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Diuretics; Cytochrome P-450 CYP3A Substrates; Mineralocorticoid Receptor Antagonists; Cytochrome P-450 CYP3A4 Substrates; Nonsteroidal Mineralocorticoid-Receptor Antagonist; Cytochrome P-450 CYP2C8 Substrates"	CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2					23792						Finerenone	CHEMBL2181927	2562811
DB16217	Leniolisib	BE0002406	PIK3CD	O00329	PK3CD_HUMAN	inhibitor	28972011; 28947947	"Rao VK, Webster S, Dalm VASH, Sediva A, van Hagen PM, Holland S, Rosenzweig SD, Christ AD, Sloth B, Cabanski M, Joshi AD, de Buck S, Doucet J, Guerini D, Kalis C, Pylvaenaeinen I, Soldermann N, Kashyap A, Uzel G, Lenardo MJ, Patel DD, Lucas CL, Burkhart C: Effective ""activated PI3Kdelta syndrome""-targeted therapy with the PI3Kdelta inhibitor leniolisib. Blood. 2017 Nov 23;130(21):2307-2316. doi: 10.1182/blood-2017-08-801191. Epub 2017 Sep 29.@@Hoegenauer K, Soldermann N, Zecri F, Strang RS, Graveleau N, Wolf RM, Cooke NG, Smith AB, Hollingworth GJ, Blanz J, Gutmann S, Rummel G, Littlewood-Evans A, Burkhart C: Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett. 2017 Aug 25;8(9):975-980. doi: 10.1021/acsmedchemlett.7b00293. eCollection 2017 Sep 14."	Approved; Investigational			BCRP/ABCG2 Substrates; Cytochrome P-450 CYP3A5 Substrates; Kinase Inhibitor; OATP1B1/SLCO1B1 Inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; P-glycoprotein substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F											Leniolisib	CHEMBL3643413	2633005
DB16220	Lonapegsomatropin	BE0000075	GHR	P10912	GHR_HUMAN	ligand	16917171; 16965663; 17082603; 17128263; 17133434; 11752352; 22291494	"Walenkamp MJ, Wit JM: Genetic disorders in the growth hormone - insulin-like growth factor-I axis. Horm Res. 2006;66(5):221-30.@@Wu XY, Xu Z, Chen C, Liu FK, Li JS: [Correlation of growth hormone receptor expression to preoperative radiosensitivity of rectal cancer patients]. Ai Zheng. 2006 Sep;25(9):1162-7.@@Adriani M, Garbi C, Amodio G, Russo I, Giovannini M, Amorosi S, Matrecano E, Cosentini E, Candotti F, Pignata C: Functional interaction of common gamma-chain and growth hormone receptor signaling apparatus. J Immunol. 2006 Nov 15;177(10):6889-95.@@Choi JH, Kim HS, Kim SH, Yang YR, Bae YS, Chang JS, Kwon HM, Ryu SH, Suh PG: Phospholipase Cgamma1 negatively regulates growth hormone signalling by forming a ternary complex with Jak2 and protein tyrosine phosphatase-1B. Nat Cell Biol. 2006 Dec;8(12):1389-97. Epub 2006 Nov 26.@@Bernstein RM, Leigh SR, Donovan SM, Monaco MH: Hormones and body size evolution in papionin primates. Am J Phys Anthropol. 2007 Feb;132(2):247-60.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Reh CS, Geffner ME: Somatotropin in the treatment of growth hormone deficiency and Turner syndrome in pediatric patients: a review. Clin Pharmacol. 2010;2:111-22. doi: 10.2147/CPAA.S6525. Epub 2010 Jun 1."	Approved; Investigational			"Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Prodrugs; Anterior Pituitary Lobe Hormones and Analogues; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"												Lonapegsomatropin		2569562
DB16220	Lonapegsomatropin	BE0000345	PRLR	P16471	PRLR_HUMAN	ligand	17279774; 17395896; 17317019; 2270485	"Keeler C, Jablonski EM, Albert YB, Taylor BD, Myszka DG, Clevenger CV, Hodsdon ME: The kinetics of binding human prolactin, but not growth hormone, to the prolactin receptor vary over a physiologic pH range. Biochemistry. 2007 Mar 6;46(9):2398-410. Epub 2007 Feb 6.@@Ahmed TA, Buzzelli MD, Lang CH, Capen JB, Shumate ML, Navaratnarajah M, Nagarajan M, Cooney RN: Interleukin-6 inhibits growth hormone-mediated gene expression in hepatocytes. Am J Physiol Gastrointest Liver Physiol. 2007 Jun;292(6):G1793-803. Epub 2007 Mar 29.@@Moderscheim TA, Gorba T, Pathipati P, Kokay IC, Grattan DR, Williams CE, Scheepens A: Prolactin is involved in glial responses following a focal injury to the juvenile rat brain. Neuroscience. 2007 Mar 30;145(3):963-73. Epub 2007 Feb 20.@@Cunningham BC, Bass S, Fuh G, Wells JA: Zinc mediation of the binding of human growth hormone to the human prolactin receptor. Science. 1990 Dec 21;250(4988):1709-12."	Approved; Investigational			"Cytochrome P-450 CYP1A2 Inducers; Recombinant Human Growth Hormone; Amino Acids, Peptides, and Proteins; Cytochrome P-450 Enzyme Inducers; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Somatropin and Somatropin Agonists; Cytochrome P-450 Enzyme Inhibitors; Prodrugs; Anterior Pituitary Lobe Hormones and Analogues; P-glycoprotein substrates; Cytochrome P-450 CYP2C19 Inhibitors (weak); Hormones; Growth Hormone; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Peptides; Peptide Hormones; Cytochrome P-450 CYP2C19 Inhibitors; Pituitary Hormones, Anterior; Pituitary Hormones; Pituitary and Hypothalamic Hormones and Analogues; Hormones, Hormone Substitutes, and Hormone Antagonists"												Lonapegsomatropin		2569562
DB16236	Mitapivat	BE0000046	PKLR	P30613	KPYR_HUMAN	activator	34987744; 31974203	"Al-Samkari H, van Beers EJ: Mitapivat, a novel pyruvate kinase activator, for the treatment of hereditary hemolytic anemias. Ther Adv Hematol. 2021 Dec 21;12:20406207211066070. doi: 10.1177/20406207211066070. eCollection 2021.@@Rab MAE, Van Oirschot BA, Kosinski PA, Hixon J, Johnson K, Chubukov V, Dang L, Pasterkamp G, Van Straaten S, Van Solinge WW, Van Beers EJ, Kung C, Van Wijk R: AG-348 (Mitapivat), an allosteric activator of red blood cell pyruvate kinase, increases enzymatic activity, protein stability, and ATP levels over a broad range of PKLR genotypes. Haematologica. 2021 Jan 1;106(1):238-249. doi: 10.3324/haematol.2019.238865."	Approved; Investigational			"UGT1A1 Inducers; Pyruvate Kinase Activator; Cytochrome P-450 CYP3A Substrates; Enzyme Activators; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Anemia, Hemolytic, Congenital, drug therapy; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates"	O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1											Mitapivat	CHEMBL4299940	2594468
DB16236	Mitapivat	BE0002090	CYP19A1	P11511	CP19A_HUMAN	inhibitor	34987744	"Al-Samkari H, van Beers EJ: Mitapivat, a novel pyruvate kinase activator, for the treatment of hereditary hemolytic anemias. Ther Adv Hematol. 2021 Dec 21;12:20406207211066070. doi: 10.1177/20406207211066070. eCollection 2021."	Approved; Investigational			"UGT1A1 Inducers; Pyruvate Kinase Activator; Cytochrome P-450 CYP3A Substrates; Enzyme Activators; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; Sulfones; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Genito Urinary System and Sex Hormones; P-glycoprotein substrates; Sulfonamides; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Heterocyclic Compounds, Fused-Ring; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; Anemia, Hemolytic, Congenital, drug therapy; Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A Inducers; Gynecological Antiinfectives and Antiseptics; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP1A2 Substrates"	O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1											Mitapivat	CHEMBL4299940	2594468
DB16255	Nidufexor	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	agonist	31940200; 33849361	"Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5."	Investigational				CN1N=C(C(=O)N(CC2=CC=CC=C2)CC2=CC=C(C=C2)C(O)=O)C2=C1C1=C(OC2)C=CC(Cl)=C1												CHEMBL4297626	
DB16265	Olinvacimab	BE0000369	KDR	P35968	VGFR2_HUMAN	antibody	26938715; 28391576; 25188901; 21910042; 26325365	"Tampellini M, Sonetto C, Scagliotti GV: Novel anti-angiogenic therapeutic strategies in colorectal cancer. Expert Opin Investig Drugs. 2016;25(5):507-20. doi: 10.1517/13543784.2016.1161754. Epub 2016 Mar 24.@@Lee SJ, Lee SY, Lee WS, Yoo JS, Sun JM, Lee J, Park SH, Park JO, Ahn MJ, Lim HY, Kang WK, Park YS: Phase I trial and pharmacokinetic study of tanibirumab, a fully human monoclonal antibody to vascular endothelial growth factor receptor 2, in patients with refractory solid tumors. Invest New Drugs. 2017 Dec;35(6):782-790. doi: 10.1007/s10637-017-0463-y. Epub 2017 Apr 8.@@Kim J, Kim TE, Kim JA, Yun JH, Sohn S, Shim SR, Lee SH, Kim SJ: Intravitreal tanibirumab, a fully human monoclonal antibody against vascular endothelial growth factor receptor 2, partially suppresses and regresses laser-induced choroidal neovascularization in a rat model. J Ocul Pharmacol Ther. 2014 Dec;30(10):847-53. doi: 10.1089/jop.2014.0021.@@Lee SH: Tanibirumab (TTAC-0001): a fully human monoclonal antibody targets vascular endothelial growth factor receptor 2 (VEGFR-2). Arch Pharm Res. 2011 Aug;34(8):1223-6. doi: 10.1007/s12272-011-0821-9.@@Kim DG, Jin Y, Jin J, Yang H, Joo KM, Lee WS, Shim SR, Kim SW, Yoo J, Lee SH, Yoo JS, Nam DH: Anticancer activity of TTAC-0001, a fully human anti-vascular endothelial growth factor receptor 2 (VEGFR-2/KDR) monoclonal antibody, is associated with inhibition of tumor angiogenesis. MAbs. 2015;7(6):1195-204. doi: 10.1080/19420862.2015.1086854. Epub 2015 Sep 1."	Investigational			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"														
DB16309	Revusiran	BE0000337	TTR	P02766	TTHY_HUMAN	regulator	32062791	"Judge DP, Kristen AV, Grogan M, Maurer MS, Falk RH, Hanna M, Gillmore J, Garg P, Vaishnaw AK, Harrop J, Powell C, Karsten V, Zhang X, Sweetser MT, Vest J, Hawkins PN: Phase 3 Multicenter Study of Revusiran in Patients with Hereditary Transthyretin-Mediated (hATTR) Amyloidosis with Cardiomyopathy (ENDEAVOUR). Cardiovasc Drugs Ther. 2020 Jun;34(3):357-370. doi: 10.1007/s10557-019-06919-4."	Investigational			"RNA, Antisense; RNA, Untranslated; RNA, Small Untranslated; Nucleic Acids; Nucleic Acids, Nucleotides, and Nucleosides; Nucleic Acid Probes; Antisense Elements (Genetics); Molecular Probes"														
DB16321	S-777469	BE0000095	CNR2	P34972	CNR2_HUMAN	agonist	23763649	"Sekiguchi K, Kanazu T, Takeuchi M, Hasegawa H, Yamaguchi Y: Non-clinical evaluation of the metabolism, pharmacokinetics and excretion of S-777469, a new cannabinoid receptor 2 selective agonist. Xenobiotica. 2014 Jan;44(1):48-58. doi: 10.3109/00498254.2013.805853. Epub 2013 Jun 13."	Investigational			Pyridines	CCC1=C(C)C=C(C(=O)NC2(CCCCC2)C(O)=O)C(=O)N1CC1=CC=C(F)C=C1											"S-777,469"	CHEMBL2019090	
DB16343	Tropifexor	BE0001777	NR1H4	Q96RI1	NR1H4_HUMAN	agonist	31823525; 31940200; 33952610; 33049605; 29148806; 33783400; 33121679; 31388629; 33894097; 32702169; 33849361	"Badman MK, Chen J, Desai S, Vaidya S, Neelakantham S, Zhang J, Gan L, Danis K, Laffitte B, Klickstein LB: Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the Novel Non-Bile Acid FXR Agonist Tropifexor (LJN452) in Healthy Volunteers. Clin Pharmacol Drug Dev. 2020 Apr;9(3):395-410. doi: 10.1002/cpdd.762. Epub 2019 Dec 10.@@Chianelli D, Rucker PV, Roland J, Tully DC, Nelson J, Liu X, Bursulaya B, Hernandez ED, Wu J, Prashad M, Schlama T, Liu Y, Chu A, Schmeits J, Huang DJ, Hill R, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Liu B, Richmond W, Sancho-Martinez I, Phimister A, Seidel HM, Badman MK, Joseph SB, Laffitte B, Molteni V: Nidufexor (LMB763), a Novel FXR Modulator for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2020 Apr 23;63(8):3868-3880. doi: 10.1021/acs.jmedchem.9b01621. Epub 2020 Feb 5.@@Wang-Lakshman L, Miao Z, Wang L, Gu H, Kagan M, Gu J, McNamara E, Walles M, Woessner R, Camenisch G, Einolf HJ, Chen J: Evaluation of the Absorption, Metabolism, and Excretion of a Single Oral 1-mg Dose of Tropifexor in Healthy Male Subjects and the Concentration Dependence of Tropifexor Metabolism. Drug Metab Dispos. 2021 Jul;49(7):548-562. doi: 10.1124/dmd.120.000349. Epub 2021 May 5.@@Luo G, Lin X, Li Z, Xiao M, Li X, Zhang D, Xiang H: Structure-guided modification of isoxazole-type FXR agonists: Identification of a potent and orally bioavailable FXR modulator. Eur J Med Chem. 2021 Jan 1;209:112910. doi: 10.1016/j.ejmech.2020.112910. Epub 2020 Oct 7.@@Tully DC, Rucker PV, Chianelli D, Williams J, Vidal A, Alper PB, Mutnick D, Bursulaya B, Schmeits J, Wu X, Bao D, Zoll J, Kim Y, Groessl T, McNamara P, Seidel HM, Molteni V, Liu B, Phimister A, Joseph SB, Laffitte B: Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH). J Med Chem. 2017 Dec 28;60(24):9960-9973. doi: 10.1021/acs.jmedchem.7b00907. Epub 2017 Dec 8.@@Liu Y, Xiao Y, Chen S, Tian X, Wang W, Wang Y, Cai W: The Farnesoid X Receptor Agonist Tropifexor Prevents Liver Damage in Parenteral Nutrition-fed Neonatal Piglets. J Pediatr Gastroenterol Nutr. 2021 Jul 1;73(1):e11-e19. doi: 10.1097/MPG.0000000000003135.@@Jiang L, Xiao D, Li Y, Dai S, Qu L, Chen X, Guo M, Wei H, Chen Y: Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor. Biochem Biophys Res Commun. 2021 Jan 1;534:1047-1052. doi: 10.1016/j.bbrc.2020.10.039. Epub 2020 Oct 26.@@Hernandez ED, Zheng L, Kim Y, Fang B, Liu B, Valdez RA, Dietrich WF, Rucker PV, Chianelli D, Schmeits J, Bao D, Zoll J, Dubois C, Federe GC, Chen L, Joseph SB, Klickstein LB, Walker J, Molteni V, McNamara P, Meeusen S, Tully DC, Badman MK, Xu J, Laffitte B: Tropifexor-Mediated Abrogation of Steatohepatitis and Fibrosis Is Associated With the Antioxidative Gene Expression Profile in Rodents. Hepatol Commun. 2019 May 17;3(8):1085-1097. doi: 10.1002/hep4.1368. eCollection 2019 Aug.@@Xiao Y, Wang Y, Liu Y, Wang W, Tian X, Chen S, Lu Y, Du J, Cai W: A nonbile acid farnesoid X receptor agonist tropifexor potently inhibits cholestatic liver injury and fibrosis by modulating the gut-liver axis. Liver Int. 2021 Sep;41(9):2117-2131. doi: 10.1111/liv.14906. Epub 2021 May 18.@@Camilleri M, Nord SL, Burton D, Oduyebo I, Zhang Y, Chen J, Im K, Bhad P, Badman MK, Sanders DS, Walters JRF: Randomised clinical trial: significant biochemical and colonic transit effects of the farnesoid X receptor agonist tropifexor in patients with primary bile acid diarrhoea. Aliment Pharmacol Ther. 2020 Sep;52(5):808-820. doi: 10.1111/apt.15967. Epub 2020 Jul 23.@@Fiorucci S, Biagioli M, Baldoni M, Ricci P, Sepe V, Zampella A, Distrutti E: The identification of farnesoid X receptor modulators as treatment options for nonalcoholic fatty liver disease. Expert Opin Drug Discov. 2021 Oct;16(10):1193-1208. doi: 10.1080/17460441.2021.1916465. Epub 2021 May 5."	Investigational			"Thiazoles; Heterocyclic Compounds, Fused-Ring"	OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1											Tropifexor	CHEMBL4298169	
DB16346	Veliflapon	BE0002382	ALOX5AP	P20292	AL5AP_HUMAN	inhibitor	19876784; 7741044; 11908571	"Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72.@@Hatzelmann A, Fruchtmann R, Mohrs KH, Raddatz S, Matzke M, Pleiss U, Keldenich J, Muller-Peddinghaus R: Mode of action of the leukotriene synthesis (FLAP) inhibitor BAY X 1005: implications for biological regulation of 5-lipoxygenase. Agents Actions. 1994 Nov;43(1-2):64-8. doi: 10.1007/BF02005767.@@He W, Pelletier JP, Martel-Pelletier J, Laufer S, Di Battista JA: Synthesis of interleukin 1beta, tumor necrosis factor-alpha, and interstitial collagenase (MMP-1) is eicosanoid dependent in human osteoarthritis synovial membrane explants: interactions with antiinflammatory cytokines. J Rheumatol. 2002 Mar;29(3):546-53."	Investigational			"Sensory System Agents; Anti-Inflammatory Agents, Non-Steroidal; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Anti-Inflammatory Agents; Analgesics, Non-Narcotic; Antirheumatic Agents; Lipoxygenase Inhibitors; Peripheral Nervous System Agents; Analgesics"	OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1												CHEMBL88712	
DB16349	Vicagrel	BE0000110	P2RY12	Q9H244	P2Y12_HUMAN	antagonist	32056160; 33935793; 29154109; 33424602; 29973877; 32267573; 30326264; 33244163; 31977858	"Schilling U, Dingemanse J, Ufer M: Pharmacokinetics and Pharmacodynamics of Approved and Investigational P2Y12 Receptor Antagonists. Clin Pharmacokinet. 2020 May;59(5):545-566. doi: 10.1007/s40262-020-00864-4.@@Liu S, Wang Z, Tian X, Cai W: Corrigendum: Predicting the Effects of CYP2C19 and Carboxylesterases on Vicagrel, a Novel P2Y12 Antagonist, by Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling Approach. Front Pharmacol. 2021 Apr 16;12:668861. doi: 10.3389/fphar.2021.668861. eCollection 2021.@@Liu C, Lu Y, Sun H, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Zhang Y, Chen X, Zhong D: Development and validation of a sensitive and rapid UHPLC-MS/MS method for the simultaneous quantification of the common active and inactive metabolites of vicagrel and clopidogrel in human plasma. J Pharm Biomed Anal. 2018 Feb 5;149:394-402. doi: 10.1016/j.jpba.2017.11.019. Epub 2017 Nov 6.@@Liu S, Wang Z, Tian X, Cai W: Predicting the Effects of CYP2C19 and Carboxylesterases on Vicagrel, a Novel P2Y12 Antagonist, by Physiologically Based Pharmacokinetic/Pharmacodynamic Modeling Approach. Front Pharmacol. 2020 Dec 8;11:591854. doi: 10.3389/fphar.2020.591854. eCollection 2020.@@Li X, Liu C, Zhu X, Wei H, Zhang H, Chen H, Chen G, Yang D, Sun H, Shen Z, Zhang Y, Li W, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Zhong D, Niu J, Liu B, Ding Y: Evaluation of Tolerability, Pharmacokinetics and Pharmacodynamics of Vicagrel, a Novel P2Y12 Antagonist, in Healthy Chinese Volunteers. Front Pharmacol. 2018 Jun 20;9:643. doi: 10.3389/fphar.2018.00643. eCollection 2018.@@Zhang Y, Zhu X, Zhan Y, Li X, Liu C, Zhu Y, Zhang H, Wei H, Xia Y, Sun H, Liu Y, Lai X, Gong Y, Liu X, Li Y, Ding Y, Zhong D: Impacts of CYP2C19 genetic polymorphisms on bioavailability and effect on platelet adhesion of vicagrel, a novel thienopyridine P2Y12 inhibitor. Br J Clin Pharmacol. 2020 Sep;86(9):1860-1874. doi: 10.1111/bcp.14296. Epub 2020 Jun 17.@@Liu C, Zhang Y, Chen W, Lu Y, Li W, Liu Y, Lai X, Gong Y, Liu X, Li Y, Chen X, Li X, Sun H, Yang J, Zhong D: Pharmacokinetics and pharmacokinetic/pharmacodynamic relationship of vicagrel, a novel thienopyridine P2Y12 inhibitor, compared with clopidogrel in healthy Chinese subjects following single oral dosing. Eur J Pharm Sci. 2019 Jan 15;127:151-160. doi: 10.1016/j.ejps.2018.10.011. Epub 2018 Oct 13.@@Zheng YD, Zhang H, Zhan Y, Bian YC, Ma S, Gan HX, Lai XJ, Liu YQ, Gong YC, Liu XF, Sun HB, Li YG, Zhong DF, Miao LY, Diao XX: Pharmacokinetics, mass balance, and metabolism of [(14)C]vicagrel, a novel irreversible P2Y12 inhibitor in humans. Acta Pharmacol Sin. 2021 Sep;42(9):1535-1546. doi: 10.1038/s41401-020-00547-7. Epub 2020 Nov 26.@@Li H, Chen H, Chen W, Xu H, Yuan F, Yang M, Sun H, Yang J, Liu Y, Lai X, Gong Y, Liu X, Li Y, Sheng L, Liu C, Li X: Platelet inhibitory activity, tolerability, and safety of vicagrel, a novel thienopyridine P2Y12 inhibitor. Medicine (Baltimore). 2020 Jan;99(4):e18683. doi: 10.1097/MD.0000000000018683."	Investigational			"Cytochrome P-450 Substrates; Acids, Carbocyclic; Sulfur Compounds; Antiplatelet agents; Cytochrome P-450 CYP2C19 Substrates"	COC(=O)[C@@H](N1CCC2=C(C1)C=C(OC(C)=O)S2)C1=C(Cl)C=CC=C1												CHEMBL2042273	
DB16353	Razuprotafib	BE0003769	PTPRB	P23467	PTPRB_HUMAN	inhibitor			Investigational			"Amines; Acids; Sulfur Compounds; Sulfur Acids; Acids, Noncarboxylic"	COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(O)(=O)=O)C=C1)C1=CSC(=N1)C1=CC=CS1												CHEMBL3931971	
DB16371	Glofitamab	BE0000066	MS4A1	P11836	CD20_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23828						Glofitamab		2639782
DB16371	Glofitamab	BE0010202	CD3D	P20963	CD3Z_HUMAN	binder			Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23828						Glofitamab		2639782
DB16379	Garetosmab	BE0010139	INHBA	P08476	INHBA_HUMAN	binder	32515349; 26333933; 30501012; 33459118	"Aykul S, Corpina RA, Goebel EJ, Cunanan CJ, Dimitriou A, Kim HJ, Zhang Q, Rafique A, Leidich R, Wang X, McClain J, Jimenez J, Nannuru KC, Rothman NJ, Lees-Shepard JB, Martinez-Hackert E, Murphy AJ, Thompson TB, Economides AN, Idone V: Activin A forms a non-signaling complex with ACVR1 and type II Activin/BMP receptors via its finger 2 tip loop. Elife. 2020 Jun 9;9. pii: 54582. doi: 10.7554/eLife.54582.@@Hatsell SJ, Idone V, Wolken DM, Huang L, Kim HJ, Wang L, Wen X, Nannuru KC, Jimenez J, Xie L, Das N, Makhoul G, Chernomorsky R, D'Ambrosio D, Corpina RA, Schoenherr CJ, Feeley K, Yu PB, Yancopoulos GD, Murphy AJ, Economides AN: ACVR1R206H receptor mutation causes fibrodysplasia ossificans progressiva by imparting responsiveness to activin A. Sci Transl Med. 2015 Sep 2;7(303):303ra137. doi: 10.1126/scitranslmed.aac4358.@@Wentworth KL, Masharani U, Hsiao EC: Therapeutic advances for blocking heterotopic ossification in fibrodysplasia ossificans progressiva. Br J Clin Pharmacol. 2019 Jun;85(6):1180-1187. doi: 10.1111/bcp.13823. Epub 2019 Jan 6.@@Kaplon H, Reichert JM: Antibodies to watch in 2021. MAbs. 2021 Jan-Dec;13(1):1860476. doi: 10.1080/19420862.2020.1860476."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB16390	Mobocertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved; Investigational			"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A7 Substrates"	COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C											Mobocertinib		2570736
DB16407	Azvudine	BE0001067	ABCG2	Q9UNQ0	ABCG2_HUMAN	regulator	28487144	"Liu Y, Liu B, Zhang Y, Peng Y, Huang C, Wang N, Jiang J, Wang Q, Chang J: Intestinal absorption mechanisms of 2'-deoxy-2'-beta-fluoro-4'-azidocytidine, a cytidine analog for AIDS treatment, and its interaction with P-glycoprotein, multidrug resistance-associated protein 2 and breast cancer resistance protein. Eur J Pharm Sci. 2017 Jul 15;105:150-158. doi: 10.1016/j.ejps.2017.05.009. Epub 2017 May 6."	Investigational			"Nitrogen Compounds; Experimental Unapproved Treatments for COVID-19; Deoxyribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F											Azvudine	CHEMBL519846	
DB16407	Azvudine	BE0001032	ABCB1	P08183	MDR1_HUMAN	activator	28487144	"Liu Y, Liu B, Zhang Y, Peng Y, Huang C, Wang N, Jiang J, Wang Q, Chang J: Intestinal absorption mechanisms of 2'-deoxy-2'-beta-fluoro-4'-azidocytidine, a cytidine analog for AIDS treatment, and its interaction with P-glycoprotein, multidrug resistance-associated protein 2 and breast cancer resistance protein. Eur J Pharm Sci. 2017 Jul 15;105:150-158. doi: 10.1016/j.ejps.2017.05.009. Epub 2017 May 6."	Investigational			"Nitrogen Compounds; Experimental Unapproved Treatments for COVID-19; Deoxyribonucleosides; Nucleosides; Pyrimidines; Nucleic Acids, Nucleotides, and Nucleosides; Pyrimidine Nucleosides"	NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F											Azvudine	CHEMBL519846	
DB16411	Camidanlumab tesirine	BE0000658	IL2RA	P01589	IL2RA_HUMAN	antibody	32521310; 32912922	"Goldberg AD, Atallah E, Rizzieri D, Walter RB, Chung KY, Spira A, Stock W, Tallman MS, Cruz HG, Boni J, Havenith KEG, Chao G, Feingold JM, Wuerthner J, Solh M: Camidanlumab tesirine, an antibody-drug conjugate, in relapsed/refractory CD25-positive acute myeloid leukemia or acute lymphoblastic leukemia: A phase I study. Leuk Res. 2020 Aug;95:106385. doi: 10.1016/j.leukres.2020.106385. Epub 2020 Jun 7.@@Zammarchi F, Havenith K, Bertelli F, Vijayakrishnan B, Chivers S, van Berkel PH: CD25-targeted antibody-drug conjugate depletes regulatory T cells and eliminates established syngeneic tumors via antitumor immunity. J Immunother Cancer. 2020 Sep;8(2). pii: jitc-2020-000860. doi: 10.1136/jitc-2020-000860."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"													Camidanlumab_tesirine		
DB16416	Vilobelimab	BE0000855	C5	P01031	CO5_HUMAN	inhibitor	33015643; 28366510	"Vlaar APJ, de Bruin S, Busch M, Timmermans SAMEG, van Zeggeren IE, Koning R, Ter Horst L, Bulle EB, van Baarle FEHP, van de Poll MCG, Kemper EM, van der Horst ICC, Schultz MJ, Horn J, Paulus F, Bos LD, Wiersinga WJ, Witzenrath M, Rueckinger S, Pilz K, Brouwer MC, Guo RF, Heunks L, van Paassen P, Riedemann NC, van de Beek D: Anti-C5a antibody IFX-1 (vilobelimab) treatment versus best supportive care for patients with severe COVID-19 (PANAMO): an exploratory, open-label, phase 2 randomised controlled trial. Lancet Rheumatol. 2020 Dec;2(12):e764-e773. doi: 10.1016/S2665-9913(20)30341-6. Epub 2020 Sep 28.@@Riedemann NC, Habel M, Ziereisen J, Hermann M, Schneider C, Wehling C, Kirschfink M, Kentouche K, Guo R: Controlling the anaphylatoxin C5a in diseases requires a specifically targeted inhibition. Clin Immunol. 2017 Jul;180:25-32. doi: 10.1016/j.clim.2017.03.012. Epub 2017 Mar 30."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunosuppressive Agents; Immunoglobulins; Serum Globulins; Experimental Unapproved Treatments for COVID-19; Immunologic Factors; Immunoproteins; Complement Inactivating Agents; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Vilobelimab		2639620
DB16418	Narsoplimab	BE0004630	MASP2	O00187	MASP2_HUMAN	antagonist	32681658	"Elhadad S, Chapin J, Copertino D, Van Besien K, Ahamed J, Laurence J: MASP2 levels are elevated in thrombotic microangiopathies: association with microvascular endothelial cell injury and suppression by anti-MASP2 antibody narsoplimab. Clin Exp Immunol. 2021 Jan;203(1):96-104. doi: 10.1111/cei.13497. Epub 2020 Aug 5."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"														
DB16446	Vafidemstat	BE0002196	MAOB	P27338	AOFB_HUMAN	inhibitor	32469975	"Maes T, Mascaro C, Rotllant D, Lufino MMP, Estiarte A, Guibourt N, Cavalcanti F, Grinan-Ferre C, Pallas M, Nadal R, Armario A, Ferrer I, Ortega A, Valls N, Fyfe M, Martinell M, Castro Palomino JC, Buesa Arjol C: Modulation of KDM1A with vafidemstat rescues memory deficit and behavioral alterations. PLoS One. 2020 May 29;15(5):e0233468. doi: 10.1371/journal.pone.0233468. eCollection 2020."	Investigational			Oxazoles	NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1													
DB16446	Vafidemstat	BE0010091	KDM1A	O60341	KDM1A_HUMAN	inhibitor	33755924; 32469975	"Antonijoan RM, Ferrero-Cafiero JM, Coimbra J, Puntes M, Martinez-Colomer J, Arevalo MI, Mascaro C, Molinero C, Buesa C, Maes T: First-in-Human Randomized Trial to Assess Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of the KDM1A Inhibitor Vafidemstat. CNS Drugs. 2021 Mar;35(3):331-344. doi: 10.1007/s40263-021-00797-x. Epub 2021 Mar 23.@@Maes T, Mascaro C, Rotllant D, Lufino MMP, Estiarte A, Guibourt N, Cavalcanti F, Grinan-Ferre C, Pallas M, Nadal R, Armario A, Ferrer I, Ortega A, Valls N, Fyfe M, Martinell M, Castro Palomino JC, Buesa Arjol C: Modulation of KDM1A with vafidemstat rescues memory deficit and behavioral alterations. PLoS One. 2020 May 29;15(5):e0233468. doi: 10.1371/journal.pone.0233468. eCollection 2020."	Investigational			Oxazoles	NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1													
DB16453	Efzofitimod	BE0010030	NRP2	O60462	NRP2_HUMAN	modulator			Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Experimental Unapproved Treatments for COVID-19														
DB16474	Pam2csk4	BE0010079	TLR6	Q9Y2C9	TLR6_HUMAN	agonist	31968123	"Goldblatt DL, Flores JR, Valverde Ha G, Jaramillo AM, Tkachman S, Kirkpatrick CT, Wali S, Hernandez B, Ost DE, Scott BL, Chen J, Evans SE, Tuvim MJ, Dickey BF: Inducible epithelial resistance against acute Sendai virus infection prevents chronic asthma-like lung disease in mice. Br J Pharmacol. 2020 May;177(10):2256-2273. doi: 10.1111/bph.14977. Epub 2020 Feb 12."	Investigational			"Membrane Proteins; Experimental Unapproved Treatments for COVID-19; Toll-Like Receptors; Receptors, Pattern Recognition; Peptides; Proteins; DNA-Binding Proteins; Amino Acids, Peptides, and Proteins"	CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC													
DB16474	Pam2csk4	BE0001164	TLR2	O60603	TLR2_HUMAN	agonist	31968123	"Goldblatt DL, Flores JR, Valverde Ha G, Jaramillo AM, Tkachman S, Kirkpatrick CT, Wali S, Hernandez B, Ost DE, Scott BL, Chen J, Evans SE, Tuvim MJ, Dickey BF: Inducible epithelial resistance against acute Sendai virus infection prevents chronic asthma-like lung disease in mice. Br J Pharmacol. 2020 May;177(10):2256-2273. doi: 10.1111/bph.14977. Epub 2020 Feb 12."	Investigational			"Membrane Proteins; Experimental Unapproved Treatments for COVID-19; Toll-Like Receptors; Receptors, Pattern Recognition; Peptides; Proteins; DNA-Binding Proteins; Amino Acids, Peptides, and Proteins"	CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC													
DB16515	PLN-74809	BE0003575	ITGB1	P05556	ITB1_HUMAN				Investigational			Experimental Unapproved Treatments for COVID-19														
DB16515	PLN-74809	BE0010033	ITGB6	P18564	ITB6_HUMAN				Investigational			Experimental Unapproved Treatments for COVID-19														
DB16580	Afimetoran	BE0000155	TLR7	Q9NYK1	TLR7_HUMAN	antagonist			Investigational				CC(C)C1=C(NC2=CC=C(C=C12)C1CCN(CC(N)=O)CC1)C1=CN2N=CN=C2C(C)=C1C													
DB16629	Serdexmethylphenidate	BE0000647	SLC6A3	Q01959	SC6A3_HUMAN	inhibitor	31581854; 29428394	"Childress AC, Komolova M, Sallee FR: An update on the pharmacokinetic considerations in the treatment of ADHD with long-acting methylphenidate and amphetamine formulations. Expert Opin Drug Metab Toxicol. 2019 Nov;15(11):937-974. doi: 10.1080/17425255.2019.1675636. Epub 2019 Nov 8.@@Faraone SV: The pharmacology of amphetamine and methylphenidate: Relevance to the neurobiology of attention-deficit/hyperactivity disorder and other psychiatric comorbidities. Neurosci Biobehav Rev. 2018 Apr;87:255-270. doi: 10.1016/j.neubiorev.2018.02.001. Epub 2018 Feb 8."	Approved			"Dopamine Uptake Inhibitors; Piperidines; Neurotransmitter Uptake Inhibitors; Central Nervous System Agents; Phenylacetates; Psychostimulants, Agents Used for ADHD and Nootropics; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Agents that produce hypertension; Centrally Acting Sympathomimetics; Central Nervous System Stimulation; Dopamine Agents; Membrane Transport Modulators; Central Nervous System Stimulants"	[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1											Serdexmethylphenidate		2562176
DB16629	Serdexmethylphenidate	BE0000486	SLC6A2	P23975	SC6A2_HUMAN	inhibitor	31581854; 29428394	"Childress AC, Komolova M, Sallee FR: An update on the pharmacokinetic considerations in the treatment of ADHD with long-acting methylphenidate and amphetamine formulations. Expert Opin Drug Metab Toxicol. 2019 Nov;15(11):937-974. doi: 10.1080/17425255.2019.1675636. Epub 2019 Nov 8.@@Faraone SV: The pharmacology of amphetamine and methylphenidate: Relevance to the neurobiology of attention-deficit/hyperactivity disorder and other psychiatric comorbidities. Neurosci Biobehav Rev. 2018 Apr;87:255-270. doi: 10.1016/j.neubiorev.2018.02.001. Epub 2018 Feb 8."	Approved			"Dopamine Uptake Inhibitors; Piperidines; Neurotransmitter Uptake Inhibitors; Central Nervous System Agents; Phenylacetates; Psychostimulants, Agents Used for ADHD and Nootropics; Neurotransmitter Agents; Psychoanaleptics; Nervous System; Agents that produce hypertension; Centrally Acting Sympathomimetics; Central Nervous System Stimulation; Dopamine Agents; Membrane Transport Modulators; Central Nervous System Stimulants"	[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1											Serdexmethylphenidate		2562176
DB16630	OPB-111077	BE0003462	STAT3	P40763	STAT3_HUMAN	inhibitor	29511132	"Tolcher A, Flaherty K, Shapiro GI, Berlin J, Witzig T, Habermann T, Bullock A, Rock E, Elekes A, Lin C, Kostic D, Ohi N, Rasco D, Papadopoulos KP, Patnaik A, Smith L, Cote GM: A First-in-Human Phase I Study of OPB-111077, a Small-Molecule STAT3 and Oxidative Phosphorylation Inhibitor, in Patients with Advanced Cancers. Oncologist. 2018 Jun;23(6):658-e72. doi: 10.1634/theoncologist.2017-0325. Epub 2018 Mar 6."	Investigational																	
DB16637	KW-2450 free base	BE0000033	INSR	P06213	INSR_HUMAN	inhibitor	30083253	"Umehara H, Maekawa Y, Koizumi F, Shimizu M, Ota T, Fouad TM, Willey J, Kaito H, Shiraishi N, Nakashima D, Akinaga S, Ueno NT: Preclinical and phase I clinical studies of KW-2450, a dual IGF-1R/IR tyrosine kinase inhibitor, in combination with lapatinib and letrozole. Ther Adv Med Oncol. 2018 Jul 30;10:1758835918786858. doi: 10.1177/1758835918786858. eCollection 2018."	Experimental			"Pyrazoles; Heterocyclic Compounds, Fused-Ring"	CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12													
DB16637	KW-2450 free base	BE0000858	IGF1R	P08069	IGF1R_HUMAN	inhibitor	30083253	"Umehara H, Maekawa Y, Koizumi F, Shimizu M, Ota T, Fouad TM, Willey J, Kaito H, Shiraishi N, Nakashima D, Akinaga S, Ueno NT: Preclinical and phase I clinical studies of KW-2450, a dual IGF-1R/IR tyrosine kinase inhibitor, in combination with lapatinib and letrozole. Ther Adv Med Oncol. 2018 Jul 30;10:1758835918786858. doi: 10.1177/1758835918786858. eCollection 2018."	Experimental			"Pyrazoles; Heterocyclic Compounds, Fused-Ring"	CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12													
DB16640	Almonertinib	BE0010047	EGFR	Q504U8	Q504U8_HUMAN	inhibitor	32916310; 33338652; 33546082	"Yang JC, Camidge DR, Yang CT, Zhou J, Guo R, Chiu CH, Chang GC, Shiah HS, Chen Y, Wang CC, Berz D, Su WC, Yang N, Wang Z, Fang J, Chen J, Nikolinakos P, Lu Y, Pan H, Maniam A, Bazhenova L, Shirai K, Jahanzeb M, Willis M, Masood N, Chowhan N, Hsia TC, Jian H, Lu S: Safety, Efficacy, and Pharmacokinetics of Almonertinib (HS-10296) in Pretreated Patients With EGFR-Mutated Advanced NSCLC: A Multicenter, Open-label, Phase 1 Trial. J Thorac Oncol. 2020 Dec;15(12):1907-1918. doi: 10.1016/j.jtho.2020.09.001. Epub 2020 Sep 9.@@Nagasaka M, Zhu VW, Lim SM, Greco M, Wu F, Ou SI: Beyond Osimertinib: The Development of Third-Generation EGFR Tyrosine Kinase Inhibitors For Advanced EGFR+ NSCLC. J Thorac Oncol. 2020 Dec 15. pii: S1556-0864(20)31105-9. doi: 10.1016/j.jtho.2020.11.028.@@Jiang T, Luo Y, Wang B: Almonertinib-induced interstitial lung disease: A case report. Medicine (Baltimore). 2021 Jan 22;100(3):e24393. doi: 10.1097/MD.0000000000024393."	Investigational			"Heterocyclic Compounds, Fused-Ring; Acrylates; Acids, Acyclic; Amides"	COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC(=CC=N1)C1=CN(C2CC2)C2=C1C=CC=C2													
DB16650	Deucravacitinib	BE0004146	TYK2	P29597	TYK2_HUMAN	inhibitor	35241426; 34471993; 34767869; 35960487	"Mease PJ, Deodhar AA, van der Heijde D, Behrens F, Kivitz AJ, Neal J, Kim J, Singhal S, Nowak M, Banerjee S: Efficacy and safety of selective TYK2 inhibitor, deucravacitinib, in a phase II trial in psoriatic arthritis. Ann Rheum Dis. 2022 Mar 3. pii: annrheumdis-2021-221664. doi: 10.1136/annrheumdis-2021-221664.@@Chimalakonda A, Burke J, Cheng L, Catlett I, Tagen M, Zhao Q, Patel A, Shen J, Girgis IG, Banerjee S, Throup J: Selectivity Profile of the Tyrosine Kinase 2 Inhibitor Deucravacitinib Compared with Janus Kinase 1/2/3 Inhibitors. Dermatol Ther (Heidelb). 2021 Oct;11(5):1763-1776. doi: 10.1007/s13555-021-00596-8. Epub 2021 Aug 30.@@Catlett IM, Hu Y, Gao L, Banerjee S, Gordon K, Krueger JG: Molecular and clinical effects of selective tyrosine kinase 2 inhibition with deucravacitinib in psoriasis. J Allergy Clin Immunol. 2021 Nov 10. pii: S0091-6749(21)01690-0. doi: 10.1016/j.jaci.2021.11.001.@@Le AM, Puig L, Torres T: Deucravacitinib for the Treatment of Psoriatic Disease. Am J Clin Dermatol. 2022 Aug 12. pii: 10.1007/s40257-022-00720-0. doi: 10.1007/s40257-022-00720-0."	Approved; Investigational			Enzyme Inhibitors; Dermatologicals; Janus Kinase Inhibitors; Protein Kinase Inhibitors; OCT1 substrates; Cytochrome P-450 CYP2B6 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Janus Kinase Inhibitor; P-glycoprotein substrates; BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Selective Immunosuppressants; Tyrosine Kinase Inhibitors; Tyrosine Kinase 2 Inhibitor; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP1A2 Substrates	[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1					23806						Deucravacitinib	CHEMBL4435170	2612087
DB16655	Teclistamab	BE0010202	CD3D	P20963	CD3Z_HUMAN	antibody	32956453	"Pillarisetti K, Powers G, Luistro L, Babich A, Baldwin E, Li Y, Zhang X, Mendonca M, Majewski N, Nanjunda R, Chin D, Packman K, Elsayed Y, Attar R, Gaudet F: Teclistamab is an active T cell-redirecting bispecific antibody against B-cell maturation antigen for multiple myeloma. Blood Adv. 2020 Sep 22;4(18):4538-4549. doi: 10.1182/bloodadvances.2020002393."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Bispecific B-cell maturation antigen (BCMA)-directed CD3 T-cell engager; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"						23862						Teclistamab		2619426
DB16656	Zotiraciclib	BE0000839	FYN	P06241	FYN_HUMAN	inhibitor	33714981	"Chen R, Tsai J, Thompson PA, Chen Y, Xiong P, Liu C, Burrows F, Sivina M, Burger JA, Keating MJ, Wierda WG, Plunkett W: The multi-kinase inhibitor TG02 induces apoptosis and blocks B-cell receptor signaling in chronic lymphocytic leukemia through dual mechanisms of action. Blood Cancer J. 2021 Mar 13;11(3):57. doi: 10.1038/s41408-021-00436-0."	Investigational			"Cyclin-Dependent Kinases, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring"	CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2											Zotiraciclib	CHEMBL1944698	
DB16662	Efanesoctocog alfa	BE0000364	F9	P00740	FA9_HUMAN	binder	12406064	"Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins"														2631083
DB16662	Efanesoctocog alfa	BE0000942	LRP2	P98164	LRP2_HUMAN	binder	12406064; 20838749	"Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x.@@Pisal DS, Balu-Iyer SV: Phospholipid binding improves plasma survival of factor VIII. Thromb Haemost. 2010 Nov;104(5):1073-5. doi: 10.1160/TH10-06-0422. Epub 2010 Sep 13."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins"														2631083
DB16662	Efanesoctocog alfa	BE0001031	HSPG2	P98160	PGBM_HUMAN	binder	12406064	"Saenko EL, Ananyeva NM, Tuddenham EG, Kemball-Cook G: Factor VIII - novel insights into form and function. Br J Haematol. 2002 Nov;119(2):323-31. doi: 10.1046/j.1365-2141.2002.03793.x."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Recombinant Proteins; Biological Factors; Hemostatics; Factor VIII; Proteins; Blood Coagulation Factors; Blood Proteins; Amino Acids, Peptides, and Proteins; Recombinant Fusion Proteins"														2631083
DB16672	Epcoritamab	BE0000066	MS4A1	P11836	CD20_HUMAN	binder	36548927	"Thieblemont C, Phillips T, Ghesquieres H, Cheah CY, Clausen MR, Cunningham D, Do YR, Feldman T, Gasiorowski R, Jurczak W, Kim TM, Lewis DJ, van der Poel M, Poon ML, Cota Stirner M, Kilavuz N, Chiu C, Chen M, Sacchi M, Elliott B, Ahmadi T, Hutchings M, Lugtenburg PJ: Epcoritamab, a Novel, Subcutaneous CD3xCD20 Bispecific T-Cell-Engaging Antibody, in Relapsed or Refractory Large B-Cell Lymphoma: Dose Expansion in a Phase I/II Trial. J Clin Oncol. 2023 Apr 20;41(12):2238-2247. doi: 10.1200/JCO.22.01725. Epub 2022 Dec 22."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Immunoglobulins; Immunotherapy; Serum Globulins; Cancer immunotherapy; Bispecific Monoclonal Antibodies; Antibodies, Monoclonal, Humanized; Increased Cytokine Production; CD3-directed Antibody Interactions; Proteins; Blood Proteins; CD20-directed Antibody Interactions; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"						23879						Epcoritamab		2637392
DB16678	Talquetamab	BE0010289	CD3D	P20963	CD3Z_HUMAN	antibody	32040549	"Pillarisetti K, Edavettal S, Mendonca M, Li Y, Tornetta M, Babich A, Majewski N, Husovsky M, Reeves D, Walsh E, Chin D, Luistro L, Joseph J, Chu G, Packman K, Shetty S, Elsayed Y, Attar R, Gaudet F: A T-cell-redirecting bispecific G-protein-coupled receptor class 5 member D x CD3 antibody to treat multiple myeloma. Blood. 2020 Apr 9;135(15):1232-1243. doi: 10.1182/blood.2019003342."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Bispecific Monoclonal Antibodies; Proteins; Blood Proteins; Amino Acids, Peptides, and Proteins"												Talquetamab		2644447
DB16684	Odronextamab	BE0000066	MS4A1	P11836	CD20_HUMAN	binder	32521386; 26659273	"Tun AM, Ansell SM: Immunotherapy in Hodgkin and non-Hodgkin lymphoma: Innate, adaptive and targeted immunological strategies. Cancer Treat Rev. 2020 Aug;88:102042. doi: 10.1016/j.ctrv.2020.102042. Epub 2020 May 30.@@Smith EJ, Olson K, Haber LJ, Varghese B, Duramad P, Tustian AD, Oyejide A, Kirshner JR, Canova L, Menon J, Principio J, MacDonald D, Kantrowitz J, Papadopoulos N, Stahl N, Yancopoulos GD, Thurston G, Davis S: A novel, native-format bispecific antibody triggering T-cell killing of B-cells is robustly active in mouse tumor models and cynomolgus monkeys. Sci Rep. 2015 Dec 11;5:17943. doi: 10.1038/srep17943."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB16684	Odronextamab	BE0010202	CD3D	P20963	CD3Z_HUMAN	binder	32521386; 26659273	"Tun AM, Ansell SM: Immunotherapy in Hodgkin and non-Hodgkin lymphoma: Innate, adaptive and targeted immunological strategies. Cancer Treat Rev. 2020 Aug;88:102042. doi: 10.1016/j.ctrv.2020.102042. Epub 2020 May 30.@@Smith EJ, Olson K, Haber LJ, Varghese B, Duramad P, Tustian AD, Oyejide A, Kirshner JR, Canova L, Menon J, Principio J, MacDonald D, Kantrowitz J, Papadopoulos N, Stahl N, Yancopoulos GD, Thurston G, Davis S: A novel, native-format bispecific antibody triggering T-cell killing of B-cells is robustly active in mouse tumor models and cynomolgus monkeys. Sci Rep. 2015 Dec 11;5:17943. doi: 10.1038/srep17943."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"															
DB16690	Tegoprazan	BE0010055	ATP1A1	P54710	ATNG_HUMAN	inhibitor	30843245	"Lee KJ, Son BK, Kim GH, Jung HK, Jung HY, Chung IK, Sung IK, Kim JI, Kim JH, Lee JS, Kwon JG, Park JH, Huh KC, Park KS, Park MI, Kim N, Lee OY, Jee SR, Lee SK, Youn SJ, Kim SK, Lee ST, Hong SJ, Choi SC, Kim TN, Youn YH, Park HJ, Kang MJ, Park CH, Kim BT, Youn S, Song GS, Rhee PL: Randomised phase 3 trial: tegoprazan, a novel potassium-competitive acid blocker, vs. esomeprazole in patients with erosive oesophagitis. Aliment Pharmacol Ther. 2019 Apr;49(7):864-872. doi: 10.1111/apt.15185. Epub 2019 Mar 6."	Investigational			Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Proton Pump Inhibitors; Gastric Acid Lowering Agents; Drugs for Acid Related Disorders; Alimentary Tract and Metabolism	CN(C)C(=O)C1=CC(O[C@H]2CCOC3=CC(F)=CC(F)=C23)=C2NC(C)=NC2=C1												CHEMBL4297583	
DB16694	Pegcetacoplan	BE0003455	C3	P01024	CO3_HUMAN	binder			Approved			"Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Selective Immunosuppressants; Peptides; Complement Inactivating Agents; Complement Inactivator Proteins; Amino Acids, Peptides, and Proteins"						23809		D11613				Pegcetacoplan		2557372
DB16695	Amivantamab	BE0000767	EGFR	P00533	EGFR_HUMAN	antibody	33839159; 32747419; 32770372	"Neijssen J, Cardoso RMF, Chevalier KM, Wiegman L, Valerius T, Anderson GM, Moores SL, Schuurman J, Parren PWHI, Strohl WR, Chiu ML: Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET. J Biol Chem. 2021 Apr 8:100641. doi: 10.1016/j.jbc.2021.100641.@@Vijayaraghavan S, Lipfert L, Chevalier K, Bushey BS, Henley B, Lenhart R, Sendecki J, Beqiri M, Millar HJ, Packman K, Lorenzi MV, Laquerre S, Moores SL: Amivantamab (JNJ-61186372), an Fc Enhanced EGFR/cMet Bispecific Antibody, Induces Receptor Downmodulation and Antitumor Activity by Monocyte/Macrophage Trogocytosis. Mol Cancer Ther. 2020 Oct;19(10):2044-2056. doi: 10.1158/1535-7163.MCT-20-0071. Epub 2020 Aug 3.@@Cavaliere A, Sun S, Lee S, Bodner J, Li Z, Huang Y, Moores SL, Marquez-Nostra B: Development of [(89)Zr]ZrDFO-amivantamab bispecific to EGFR and c-MET for PET imaging of triple-negative breast cancer. Eur J Nucl Med Mol Imaging. 2021 Feb;48(2):383-394. doi: 10.1007/s00259-020-04978-6. Epub 2020 Aug 8."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents"						23711						Amivantamab		2549198
DB16695	Amivantamab	BE0000915	MET	P08581	MET_HUMAN	antagonist	33839159; 32770372	"Neijssen J, Cardoso RMF, Chevalier KM, Wiegman L, Valerius T, Anderson GM, Moores SL, Schuurman J, Parren PWHI, Strohl WR, Chiu ML: Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET. J Biol Chem. 2021 Apr 8:100641. doi: 10.1016/j.jbc.2021.100641.@@Cavaliere A, Sun S, Lee S, Bodner J, Li Z, Huang Y, Moores SL, Marquez-Nostra B: Development of [(89)Zr]ZrDFO-amivantamab bispecific to EGFR and c-MET for PET imaging of triple-negative breast cancer. Eur J Nucl Med Mol Imaging. 2021 Feb;48(2):383-394. doi: 10.1007/s00259-020-04978-6. Epub 2020 Aug 8."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents"						23711						Amivantamab		2549198
DB16703	Belumosudil	BE0004191	ROCK2	O75116	ROCK2_HUMAN	inhibitor	34265047	"Cutler CS, Lee SJ, Arai S, Rotta M, Zoghi B, Lazaryan A, Ramakrishnan A, DeFilipp Z, Salhotra A, Chai-Ho W, Mehta RS, Wang T, Arora M, Pusic I, Saad A, Shah NN, Abhyankar S, Bachier C, Galvin JP, Im A, Langston A, Liesveld JL, Juckett M, Logan A, Schachter L, Alavi A, Howard DS, Waksal H, Ryan J, Eiznhamer D, Aggarwal SK, Ieyoub J, Schueller O, Green LS, Yang Z, Krenz H, Jagasia M, Blazar BR, Pavletic SZ: Belumosudil for Chronic Graft-versus-Host Disease (cGVHD) After 2 or More Prior Lines of Therapy: The ROCKstar Study. Blood. 2021 Jul 15. pii: 476399. doi: 10.1182/blood.2021012021."	Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Acetates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1					23710		D11815				Belumosudil	CHEMBL2005186	2564025
DB16703	Belumosudil	BE0001016	ROCK1	Q13464	ROCK1_HUMAN	inhibitor			Approved; Investigational			"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Acetates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Selective Immunosuppressants; Acids, Acyclic; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; UGT1A9 Substrates; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)"	CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1					23710		D11815				Belumosudil	CHEMBL2005186	2564025
DB16707	Gavorestat	BE0000747	AKR1B1	P15121	ALDR_HUMAN	inhibitor			Investigational				OC(=O)CC1=NN(CC2=NC3=CC(=CC=C3S2)C(F)(F)F)C(=O)C2=CSC=C12												CHEMBL4650327	
DB16708	Cipaglucosidase alfa	BE0003623	IGF2R	P11717	MPRI_HUMAN	ligand	30843882; 37184753	"Xu S, Lun Y, Frascella M, Garcia A, Soska R, Nair A, Ponery AS, Schilling A, Feng J, Tuske S, Valle MCD, Martina JA, Ralston E, Gotschall R, Valenzano KJ, Puertollano R, Do HV, Raben N, Khanna R: Improved efficacy of a next-generation ERT in murine Pompe disease. JCI Insight. 2019 Mar 7;4(5). pii: 125358. doi: 10.1172/jci.insight.125358. eCollection 2019 Mar 7.@@Blair HA: Cipaglucosidase Alfa: First Approval. Drugs. 2023 Jun;83(8):739-745. doi: 10.1007/s40265-023-01886-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	Enzyme Replacement Therapy; Enzymes and Coenzymes; Alimentary Tract and Metabolism; Enzymes												Cipaglucosidase_alfa		2667433
DB16733	Rimtuzalcap	BE0004425	KCNN1	Q92952	KCNN1_HUMAN	positive allosteric modulator			Investigational				CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1												CHEMBL4650330	
DB16733	Rimtuzalcap	BE0004426	KCNN2	Q9H2S1	KCNN2_HUMAN	positive allosteric modulator			Investigational				CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1												CHEMBL4650330	
DB16733	Rimtuzalcap	BE0004427	KCNN3	Q9UGI6	KCNN3_HUMAN	positive allosteric modulator			Investigational				CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1												CHEMBL4650330	
DB16739	MK-886	BE0002382	ALOX5AP	P20292	AL5AP_HUMAN	inhibitor	19876784	Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72.	Experimental			"Hydrocarbons, Halogenated; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; PPAR alpha, antagonists & inhibitors; Benzene Derivatives; Lipoxygenase Inhibitors; Hydrocarbons, Chlorinated"	CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1											MK-886	CHEMBL29097	
DB16756	Ivarmacitinib	BE0004145	JAK1	P23458	JAK1_HUMAN	inhibitor	34374027	"Zhao Y, Zhang L, Ding Y, Tao X, Ji C, Dong X, Lu J, Wu L, Wang R, Lu Q, Goh AH, Liu R, Zhang Z, Zhang J: Efficacy and Safety of SHR0302, a Highly Selective Janus Kinase 1 Inhibitor, in Patients with Moderate to Severe Atopic Dermatitis: A Phase II Randomized Clinical Trial. Am J Clin Dermatol. 2021 Nov;22(6):877-889. doi: 10.1007/s40257-021-00627-2. Epub 2021 Aug 9."	Experimental; Investigational			"Janus Kinases, antagonists & inhibitors; Sulfur Compounds; Janus Kinase 1, antagonists & inhibitors"	[H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC1=NC(OC)=NS1)N(C)C1=NC=NC2=C1C=CN2													
DB16778	Lutetium Lu-177 vipivotide tetraxetan	BE0008983	KLK3	P07288	KLK3_HUMAN	binder			Approved			"Theranostic Nanomedicine; Diagnostic Uses of Chemicals; Therapeutic Radiopharmaceuticals; Radioactive Therapeutic Agent; Radiopharmaceuticals; Radioligand Therapeutic Agent; Seminal Proteins; Radiopharmaceutical Activity; Compounds used in a research, industrial, or household setting"	[177Lu+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)CC1)C(O)=O)C(O)=O													2597053
DB16820	Letibotulinumtoxina	BE0000390	SNAP25	P60880	SNP25_HUMAN	cleavage			Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Neuromuscular Agents; Botulinum Toxins, Type A; Central Nervous System Depressants; Neuromuscular Blocking Agents"						23748								
DB16826	Repotrectinib	BE0009534	ROS1	P08922	ROS1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers	C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2											Repotrectinib	CHEMBL4298138	2670644
DB16826	Repotrectinib	BE0001039	NTRK1	P04629	NTRK1_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers	C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2											Repotrectinib	CHEMBL4298138	2670644
DB16826	Repotrectinib	BE0003605	NTRK2	Q16620	NTRK2_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers	C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2											Repotrectinib	CHEMBL4298138	2670644
DB16826	Repotrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers	C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2											Repotrectinib	CHEMBL4298138	2670644
DB16862	Indigo	BE0003721	AHR	P35869	AHR_HUMAN	binder	11425848; 15001395	"Adachi J, Mori Y, Matsui S, Takigami H, Fujino J, Kitagawa H, Miller CA 3rd, Kato T, Saeki K, Matsuda T: Indirubin and indigo are potent aryl hydrocarbon receptor ligands present in human urine. J Biol Chem. 2001 Aug 24;276(34):31475-8. Epub 2001 Jun 25.@@Peter Guengerich F, Martin MV, McCormick WA, Nguyen LP, Glover E, Bradfield CA: Aryl hydrocarbon receptor response to indigoids in vitro and in vivo. Arch Biochem Biophys. 2004 Mar 15;423(2):309-16."	Experimental; Investigational			"Coloring Agents; Heterocyclic Compounds, Fused-Ring; Indoles; Compounds used in a research, industrial, or household setting"	O=C1\C(NC2=C1C=CC=C2)=C1/NC2=C(C=CC=C2)C1=O											Indigo	CHEMBL599552	1426889
DB17083	Linzagolix	BE0000203	GNRHR	P30968	GNRHR_HUMAN	antagonist	35690889	"Tezuka M, Tamai Y, Kuramochi Y, Kobayashi K, Fushimi N, Kiguchi S: Pharmacological characterization of linzagolix, a novel, orally active, non-peptide antagonist of gonadotropin-releasing hormone receptors. Clin Exp Pharmacol Physiol. 2022 Oct;49(10):1082-1093. doi: 10.1111/1440-1681.13688. Epub 2022 Jul 12."	Approved			"Anti-Gonadotropin-Releasing Hormones; OATP1B1/SLCO1B1 Inhibitors; OAT3/SLC22A8 Substrates; Cytochrome P-450 CYP3A Substrates; OATP1B1/SLCO1B1 Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Cytochrome P-450 Substrates; Gonadotropin Releasing Hormone Receptor Antagonists; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); BCRP/ABCG2 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP3A4 Substrates; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP2C9 Substrates; OATP1B3 substrates; Hypothalamic Hormones; Pituitary and Hypothalamic Hormones and Analogues"	COC1=C(COC2=C(OC)C=C(F)C(=C2)N2C(=O)NC3=CSC(C(O)=O)=C3C2=O)C(F)=C(F)C=C1											Linzagolix	CHEMBL3668014	2621019
DB17449	Anacaulase	BE0000910	A2M	P01023	A2MG_HUMAN	binder	4201304	"Barrett AJ, Starkey PM: The interaction of alpha 2-macroglobulin with proteinases. Characteristics and specificity of the reaction, and a hypothesis concerning its molecular mechanism. Biochem J. 1973 Aug;133(4):709-24. doi: 10.1042/bj1330709."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Cysteine Endopeptidases; Cytochrome P-450 CYP2C8 Inhibitors; Peptide Hydrolases; Wound Healing; Hydrolases; Administration, Topical; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 Enzyme Inhibitors; Enzymes and Coenzymes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Enzymes"												Bromelain_(pharmacology)		2626723
DB17493	Bioymifi	BE0003433	TNFRSF10B	O14763	TR10B_HUMAN	binder	23292651; 34633592	"Wang G, Wang X, Yu H, Wei S, Williams N, Holmes DL, Halfmann R, Naidoo J, Wang L, Li L, Chen S, Harran P, Lei X, Wang X: Small-molecule activation of the TRAIL receptor DR5 in human cancer cells. Nat Chem Biol. 2013 Feb;9(2):84-9. doi: 10.1038/nchembio.1153. Epub 2012 Dec 23.@@Alfhili MA, Basudan AM, Aljaser FS, Dera A, Alsughayyir J: Bioymifi, a novel mimetic of TNF-related apoptosis-induced ligand (TRAIL), stimulates eryptosis. Med Oncol. 2021 Oct 11;38(12):138. doi: 10.1007/s12032-021-01589-5."	Investigational			"Heterocyclic Compounds, Fused-Ring; Thiazoles; Isoindoles; Acids, Carbocyclic; Phthalic Acids; Sulfur Compounds; Receptors, TNF-Related Apoptosis-Inducing Ligand, agonists; Imides"	[H]N=C1S\C(=C(\[H])C2=CC=C(O2)C2=CC3=C(C=C2)C(O)=NC3=O)C(=O)N1C1=CC=C(Br)C=C1													
DB17587	KIN-3248	BE0000748	FGFR2	P21802	FGFR2_HUMAN	inhibitor		"Franovic A, Mohan A, Uryu S, Wu Q, Jiang P, Miller N, Tyhonas J, Timple N, Severson P, Kania R, Murphy E, Bardeesy N, Martin E.: Activity of KIN-3248, a next-generation pan-FGFR inhibitor, against acquired FGFR-gatekeeper and molecular-brake drug resistance mutations J Clin Oncol. 2022 Feb 01;40(suppl 4):461-461."	Investigational																	
DB17587	KIN-3248	BE0002133	FGFR3	P22607	FGFR3_HUMAN	inhibitor		"Franovic A, Mohan A, Uryu S, Wu Q, Jiang P, Miller N, Tyhonas J, Timple N, Severson P, Kania R, Murphy E, Bardeesy N, Martin E.: Activity of KIN-3248, a next-generation pan-FGFR inhibitor, against acquired FGFR-gatekeeper and molecular-brake drug resistance mutations J Clin Oncol. 2022 Feb 01;40(suppl 4):461-461."	Investigational																	
DB17851	Flotufolastat F-18	BE0000568	FOLH1	Q04609	FOLH1_HUMAN	binder	35393348; 34992154	"Kroenke M, Schweiger L, Horn T, Haller B, Schwamborn K, Wurzer A, Maurer T, Wester HJ, Eiber M, Rauscher I: Validation of (18)F-rhPSMA-7 and (18)F-rhPSMA-7.3 PET Imaging Results with Histopathology from Salvage Surgery in Patients with Biochemical Recurrence of Prostate Cancer. J Nucl Med. 2022 Dec;63(12):1809-1814. doi: 10.2967/jnumed.121.263707. Epub 2022 Apr 7.@@Langbein T, Wang H, Rauscher I, Kroenke M, Knorr K, Wurzer A, Schwamborn K, Maurer T, Horn T, Haller B, Wester HJ, Eiber M: Utility of (18)F-rhPSMA-7.3 PET for Imaging of Primary Prostate Cancer and Preoperative Efficacy in N-Staging of Unfavorable Intermediate- to Very High-Risk Patients Validated by Histopathology. J Nucl Med. 2022 Sep;63(9):1334-1342. doi: 10.2967/jnumed.121.263440. Epub 2022 Jan 6."	Approved; Investigational			Diagnostic Radiopharmaceuticals; Fluorine Radioisotopes; Positron Emitting Activity; Radioactive Diagnostic Agent	CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C													2637946
DB18236	(R)-9b	BE0000772	TNK2	Q07912	ACK1_HUMAN	inhibitor	28609657	"Mahajan K, Malla P, Lawrence HR, Chen Z, Kumar-Sinha C, Malik R, Shukla S, Kim J, Coppola D, Lawrence NJ, Mahajan NP: ACK1/TNK2 Regulates Histone H4 Tyr88-phosphorylation and AR Gene Expression in Castration-Resistant Prostate Cancer. Cancer Cell. 2017 Jun 12;31(6):790-803.e8. doi: 10.1016/j.ccell.2017.05.003."	Investigational